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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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/rna_mod_1-0a1c07d5/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna_mod_1-0a1c07d5/inputs/seq.fa: 1
curr_seq: _UGUGGGAUGGGCGGGUCUGGGA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGUGGGAUGGGCGGGUCUGGGA
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 22 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: 115
n_atoms_counter: 115
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _....((((......))))...._
nucl1: 7, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 6, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 5, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 4, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 22.000000 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: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. 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: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. 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: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. 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: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. 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: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: 23.747769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 23.747769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.987868 (E_RNA)
where:
Base-Base interactions energy: -2.113
where: short stacking energy: -2.113
Base-Backbone interact. energy: -0.000
local terms energy: -81.874810
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 107.736 (S_DIST_RNA)
chem. 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: -159.156801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.156801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.950533 (E_RNA)
where:
Base-Base interactions energy: -91.153
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.063
local terms energy: -68.734288
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -186.908084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.908084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.976756 (E_RNA)
where:
Base-Base interactions energy: -116.709
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.010
local terms energy: -72.256877
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 2.069 (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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -183.454352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.454352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.454352 (E_RNA)
where:
Base-Base interactions energy: -115.806
where: short stacking energy: -59.771
Base-Backbone interact. energy: -0.132
local terms energy: -67.516458
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.404
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -180.135541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.135541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.146141 (E_RNA)
where:
Base-Base interactions energy: -114.913
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.262
local terms energy: -65.971710
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 1.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -136.852869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.852869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.453606 (E_RNA)
where:
Base-Base interactions energy: -77.574
where: short stacking energy: -48.391
Base-Backbone interact. energy: 1.148
local terms energy: -62.027951
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -13.825
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -8.904
Dist. restrs. and SS energy: 1.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -128.323626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.323626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.576041 (E_RNA)
where:
Base-Base interactions energy: -68.259
where: short stacking energy: -55.145
Base-Backbone interact. energy: -0.109
local terms energy: -62.207340
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 2.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -186.549504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.549504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.878868 (E_RNA)
where:
Base-Base interactions energy: -119.979
where: short stacking energy: -65.845
Base-Backbone interact. energy: -0.156
local terms energy: -66.744256
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -20.070
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -125.307918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.307918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.552775 (E_RNA)
where:
Base-Base interactions energy: -71.492
where: short stacking energy: -41.197
Base-Backbone interact. energy: 0.626
local terms energy: -54.687273
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -8.137
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -148.942067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.942067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.101767 (E_RNA)
where:
Base-Base interactions energy: -91.090
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.214
local terms energy: -57.797831
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -5.799
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -133.827728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.827728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.833549 (E_RNA)
where:
Base-Base interactions energy: -80.733
where: short stacking energy: -34.779
Base-Backbone interact. energy: -0.459
local terms energy: -52.642358
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -5.223
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -170.465116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.465116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.796218 (E_RNA)
where:
Base-Base interactions energy: -100.644
where: short stacking energy: -78.273
Base-Backbone interact. energy: -0.112
local terms energy: -72.039853
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 2.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -200.223817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.223817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.394001 (E_RNA)
where:
Base-Base interactions energy: -134.747
where: short stacking energy: -71.493
Base-Backbone interact. energy: -0.068
local terms energy: -65.578501
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -16.786
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -210.146729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.146729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.152451 (E_RNA)
where:
Base-Base interactions energy: -138.913
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.005
local terms energy: -71.234419
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -16.420
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: 3
Temperature: 1.050000
Total energy: -188.187154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.187154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.625672 (E_RNA)
where:
Base-Base interactions energy: -112.695
where: short stacking energy: -64.367
Base-Backbone interact. energy: -0.279
local terms energy: -75.651211
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -149.745479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.745479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.815819 (E_RNA)
where:
Base-Base interactions energy: -86.806
where: short stacking energy: -50.692
Base-Backbone interact. energy: -0.176
local terms energy: -65.833619
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -12.520
Dist. restrs. and SS energy: 3.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -198.602391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.602391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.675948 (E_RNA)
where:
Base-Base interactions energy: -126.637
where: short stacking energy: -71.118
Base-Backbone interact. energy: -0.532
local terms energy: -71.507418
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -151.911036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.911036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.051408 (E_RNA)
where:
Base-Base interactions energy: -90.755
where: short stacking energy: -52.503
Base-Backbone interact. energy: -0.204
local terms energy: -61.091789
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -6.808
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: 3
Temperature: 1.250000
Total energy: -172.235423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.235423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.273201 (E_RNA)
where:
Base-Base interactions energy: -103.096
where: short stacking energy: -63.997
Base-Backbone interact. energy: -0.692
local terms energy: -68.485614
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -16.767
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: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -149.086138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.086138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.287669 (E_RNA)
where:
Base-Base interactions energy: -101.881
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.634
local terms energy: -47.772626
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -166.697977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.697977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.729113 (E_RNA)
where:
Base-Base interactions energy: -107.113
where: short stacking energy: -63.676
Base-Backbone interact. energy: 0.821
local terms energy: -60.436680
where:
bonds (distance) C4'-P energy: -6.290
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -11.302
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: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -191.283054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.283054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.523064 (E_RNA)
where:
Base-Base interactions energy: -115.354
where: short stacking energy: -70.592
Base-Backbone interact. energy: -0.003
local terms energy: -76.165811
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -18.531
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -152.438907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.438907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.004801 (E_RNA)
where:
Base-Base interactions energy: -82.215
where: short stacking energy: -60.737
Base-Backbone interact. energy: -1.104
local terms energy: -71.686227
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -12.239
Dist. restrs. and SS energy: 2.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -202.968603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.968603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.087432 (E_RNA)
where:
Base-Base interactions energy: -126.397
where: short stacking energy: -67.504
Base-Backbone interact. energy: -0.093
local terms energy: -76.597257
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -202.987816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.987816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.994356 (E_RNA)
where:
Base-Base interactions energy: -124.275
where: short stacking energy: -70.789
Base-Backbone interact. energy: -0.025
local terms energy: -78.694715
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -19.029
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -187.018745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.018745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.167760 (E_RNA)
where:
Base-Base interactions energy: -117.536
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.096
local terms energy: -69.535203
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -17.076
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: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -155.342092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.342092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.996606 (E_RNA)
where:
Base-Base interactions energy: -90.753
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.184
local terms energy: -68.059848
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 3.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -151.512748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.512748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.539988 (E_RNA)
where:
Base-Base interactions energy: -93.266
where: short stacking energy: -51.047
Base-Backbone interact. energy: -0.535
local terms energy: -57.739134
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -7.150
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -9.809
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -159.132724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.132724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.275896 (E_RNA)
where:
Base-Base interactions energy: -98.951
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.134
local terms energy: -60.191797
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -10.402
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: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -161.953628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.953628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.978976 (E_RNA)
where:
Base-Base interactions energy: -100.454
where: short stacking energy: -48.410
Base-Backbone interact. energy: -0.164
local terms energy: -61.361608
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -7.491
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: 4
Temperature: 1.350000
Total energy: -142.971902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.971902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.290633 (E_RNA)
where:
Base-Base interactions energy: -83.335
where: short stacking energy: -48.108
Base-Backbone interact. energy: -0.022
local terms energy: -59.933384
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -8.826
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -192.561428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.561428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.572214 (E_RNA)
where:
Base-Base interactions energy: -114.216
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.001
local terms energy: -78.355572
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -12.023
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: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -230.191842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.191842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.890939 (E_RNA)
where:
Base-Base interactions energy: -145.566
where: short stacking energy: -78.728
Base-Backbone interact. energy: 0.496
local terms energy: -86.820863
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 1.699 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -154.836039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.836039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.627764 (E_RNA)
where:
Base-Base interactions energy: -88.776
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.369
local terms energy: -68.482446
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 2.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -220.242369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.242369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.729620 (E_RNA)
where:
Base-Base interactions energy: -145.140
where: short stacking energy: -78.163
Base-Backbone interact. energy: -0.303
local terms energy: -76.287072
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -21.539
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -214.513947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.513947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.224224 (E_RNA)
where:
Base-Base interactions energy: -147.149
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.052
local terms energy: -68.023190
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -173.627609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.627609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.672204 (E_RNA)
where:
Base-Base interactions energy: -109.299
where: short stacking energy: -58.490
Base-Backbone interact. energy: -0.057
local terms energy: -64.316012
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -13.574
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: 5
Temperature: 1.200000
Total energy: -169.591661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.591661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.591661 (E_RNA)
where:
Base-Base interactions energy: -102.986
where: short stacking energy: -61.313
Base-Backbone interact. energy: -0.854
local terms energy: -65.752088
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -12.623
Dist. restrs. and SS energy: -0.000 (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: 5
Temperature: 1.250000
Total energy: -172.265932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.265932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.532307 (E_RNA)
where:
Base-Base interactions energy: -109.445
where: short stacking energy: -57.146
Base-Backbone interact. energy: -0.380
local terms energy: -62.707729
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -13.020
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -152.387003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.387003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.581341 (E_RNA)
where:
Base-Base interactions energy: -97.985
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.578
local terms energy: -54.018027
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -9.399
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -139.830397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.830397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.958525 (E_RNA)
where:
Base-Base interactions energy: -84.720
where: short stacking energy: -34.082
Base-Backbone interact. energy: -0.458
local terms energy: -54.780599
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -8.778
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: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -232.591602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.591602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.439309 (E_RNA)
where:
Base-Base interactions energy: -155.328
where: short stacking energy: -84.447
Base-Backbone interact. energy: -0.029
local terms energy: -78.082307
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.848 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -178.297555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.297555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.305256 (E_RNA)
where:
Base-Base interactions energy: -115.799
where: short stacking energy: -65.810
Base-Backbone interact. energy: 0.506
local terms energy: -63.011638
where:
bonds (distance) C4'-P energy: -7.465
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -11.797
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: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -202.040015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.040015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.040015 (E_RNA)
where:
Base-Base interactions energy: -132.053
where: short stacking energy: -72.418
Base-Backbone interact. energy: -1.634
local terms energy: -68.353858
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -17.692
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: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -147.750703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.750703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.939998 (E_RNA)
where:
Base-Base interactions energy: -86.050
where: short stacking energy: -55.639
Base-Backbone interact. energy: -0.250
local terms energy: -64.639810
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -10.544
Dist. restrs. and SS energy: 3.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -194.003614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.003614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.046558 (E_RNA)
where:
Base-Base interactions energy: -119.501
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.009
local terms energy: -74.537143
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -21.237
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: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -184.897200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.897200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.897200 (E_RNA)
where:
Base-Base interactions energy: -106.803
where: short stacking energy: -52.203
Base-Backbone interact. energy: -0.105
local terms energy: -77.988921
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: -0.000 (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: 6
Temperature: 1.200000
Total energy: -184.272140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.272140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.302249 (E_RNA)
where:
Base-Base interactions energy: -118.264
where: short stacking energy: -67.007
Base-Backbone interact. energy: -0.687
local terms energy: -65.351703
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -12.929
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: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -150.365503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.365503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.650093 (E_RNA)
where:
Base-Base interactions energy: -91.294
where: short stacking energy: -44.122
Base-Backbone interact. energy: -0.232
local terms energy: -59.123957
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -9.305
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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -144.519407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.519407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.254763 (E_RNA)
where:
Base-Base interactions energy: -88.859
where: short stacking energy: -51.043
Base-Backbone interact. energy: 0.190
local terms energy: -56.585641
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -6.904
Dist. restrs. and SS energy: 0.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -152.557937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.557937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.661415 (E_RNA)
where:
Base-Base interactions energy: -98.645
where: short stacking energy: -46.839
Base-Backbone interact. energy: -0.202
local terms energy: -53.814802
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -8.725
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: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -233.031085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.031085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.046666 (E_RNA)
where:
Base-Base interactions energy: -153.732
where: short stacking energy: -78.061
Base-Backbone interact. energy: -0.643
local terms energy: -78.671510
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -18.598
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: 7
Temperature: 0.950000
Total energy: -223.739852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.739852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.739977 (E_RNA)
where:
Base-Base interactions energy: -145.398
where: short stacking energy: -77.561
Base-Backbone interact. energy: -0.032
local terms energy: -78.310221
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -20.274
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -188.261522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.261522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.364243 (E_RNA)
where:
Base-Base interactions energy: -112.842
where: short stacking energy: -69.773
Base-Backbone interact. energy: -0.761
local terms energy: -74.760923
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -16.336
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: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -190.319174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.319174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.244994 (E_RNA)
where:
Base-Base interactions energy: -118.613
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.023
local terms energy: -72.609062
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -154.113091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.113091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.855572 (E_RNA)
where:
Base-Base interactions energy: -81.854
where: short stacking energy: -52.511
Base-Backbone interact. energy: -0.144
local terms energy: -73.857311
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 1.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -179.708879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.708879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.133319 (E_RNA)
where:
Base-Base interactions energy: -116.605
where: short stacking energy: -58.224
Base-Backbone interact. energy: -0.192
local terms energy: -64.335849
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 1.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -162.941368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.941368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.168357 (E_RNA)
where:
Base-Base interactions energy: -95.121
where: short stacking energy: -58.652
Base-Backbone interact. energy: -0.626
local terms energy: -67.420740
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -166.495626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.495626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.527332 (E_RNA)
where:
Base-Base interactions energy: -100.754
where: short stacking energy: -59.607
Base-Backbone interact. energy: -0.059
local terms energy: -65.714498
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -13.285
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: 7
Temperature: 1.300000
Total energy: -148.277075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.277075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.345958 (E_RNA)
where:
Base-Base interactions energy: -96.547
where: short stacking energy: -54.277
Base-Backbone interact. energy: -0.017
local terms energy: -51.781861
where:
bonds (distance) C4'-P energy: -8.053
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -2.073
tors. eta vs tors. theta energy: -11.085
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: 7
Temperature: 1.350000
Total energy: -161.046920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.046920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.179762 (E_RNA)
where:
Base-Base interactions energy: -96.716
where: short stacking energy: -55.256
Base-Backbone interact. energy: -0.029
local terms energy: -64.433901
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -229.078862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.078862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.543612 (E_RNA)
where:
Base-Base interactions energy: -156.399
where: short stacking energy: -77.967
Base-Backbone interact. energy: -0.001
local terms energy: -74.143237
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 1.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -227.932240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.932240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.966264 (E_RNA)
where:
Base-Base interactions energy: -152.702
where: short stacking energy: -79.920
Base-Backbone interact. energy: -0.051
local terms energy: -76.213387
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 1.034 (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: 8
Temperature: 1.000000
Total energy: -191.351632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.351632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.351632 (E_RNA)
where:
Base-Base interactions energy: -127.053
where: short stacking energy: -77.022
Base-Backbone interact. energy: -0.142
local terms energy: -64.156083
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -8.888
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: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -187.254544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.254544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.588366 (E_RNA)
where:
Base-Base interactions energy: -111.798
where: short stacking energy: -69.822
Base-Backbone interact. energy: -0.111
local terms energy: -75.679923
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -17.289
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: 5, replica: 9
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -174.062122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.062122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.629633 (E_RNA)
where:
Base-Base interactions energy: -109.861
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.305
local terms energy: -64.463939
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -125.579914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.579914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.998394 (E_RNA)
where:
Base-Base interactions energy: -66.299
where: short stacking energy: -51.051
Base-Backbone interact. energy: -1.121
local terms energy: -60.578173
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 2.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -167.896052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.896052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.136679 (E_RNA)
where:
Base-Base interactions energy: -100.430
where: short stacking energy: -62.220
Base-Backbone interact. energy: -0.086
local terms energy: -67.620112
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -11.679
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: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -165.764776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.764776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.810378 (E_RNA)
where:
Base-Base interactions energy: -102.667
where: short stacking energy: -57.657
Base-Backbone interact. energy: -1.676
local terms energy: -61.467077
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -11.537
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: 8
Temperature: 1.300000
Total energy: -160.239080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.239080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.272413 (E_RNA)
where:
Base-Base interactions energy: -102.506
where: short stacking energy: -57.678
Base-Backbone interact. energy: -0.026
local terms energy: -57.739908
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -10.561
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: 10, replica: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -153.309695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.309695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.365798 (E_RNA)
where:
Base-Base interactions energy: -95.730
where: short stacking energy: -56.607
Base-Backbone interact. energy: -0.166
local terms energy: -57.469314
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -12.553
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: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -223.950132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.950132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.744589 (E_RNA)
where:
Base-Base interactions energy: -146.983
where: short stacking energy: -78.033
Base-Backbone interact. energy: -0.042
local terms energy: -78.719173
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 1.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -219.586531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.586531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.027608 (E_RNA)
where:
Base-Base interactions energy: -146.687
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.075
local terms energy: -74.265769
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -194.172035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.172035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.322544 (E_RNA)
where:
Base-Base interactions energy: -118.265
where: short stacking energy: -75.795
Base-Backbone interact. energy: -0.049
local terms energy: -76.008396
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -15.017
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: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -194.001625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.001625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.113169 (E_RNA)
where:
Base-Base interactions energy: -118.020
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.715
local terms energy: -75.377826
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -13.704
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -15.728
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: 9
Temperature: 1.100000
Total energy: -185.565324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.565324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.775948 (E_RNA)
where:
Base-Base interactions energy: -113.397
where: short stacking energy: -72.161
Base-Backbone interact. energy: -0.513
local terms energy: -71.866287
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -16.458
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: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -173.339091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.339091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.357340 (E_RNA)
where:
Base-Base interactions energy: -101.205
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.003
local terms energy: -72.149616
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -13.720
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: 9
Temperature: 1.200000
Total energy: -152.197212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.197212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.130287 (E_RNA)
where:
Base-Base interactions energy: -94.815
where: short stacking energy: -49.664
Base-Backbone interact. energy: -0.631
local terms energy: -57.683596
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -177.757998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.757998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.337233 (E_RNA)
where:
Base-Base interactions energy: -109.705
where: short stacking energy: -55.882
Base-Backbone interact. energy: -0.077
local terms energy: -68.555316
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -160.084602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.084602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.332499 (E_RNA)
where:
Base-Base interactions energy: -89.891
where: short stacking energy: -48.243
Base-Backbone interact. energy: -0.010
local terms energy: -70.431790
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -13.172
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: 10, replica: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -150.421205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.421205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.809476 (E_RNA)
where:
Base-Base interactions energy: -89.619
where: short stacking energy: -48.773
Base-Backbone interact. energy: -0.250
local terms energy: -60.940524
where:
bonds (distance) C4'-P energy: -12.470
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -7.960
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -238.822315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.822315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.952606 (E_RNA)
where:
Base-Base interactions energy: -158.905
where: short stacking energy: -73.804
Base-Backbone interact. energy: -0.604
local terms energy: -80.443728
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 1.130 (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: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -235.314033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.314033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.314033 (E_RNA)
where:
Base-Base interactions energy: -154.668
where: short stacking energy: -90.577
Base-Backbone interact. energy: -0.005
local terms energy: -80.641172
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -22.278
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: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -197.371605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.371605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.400939 (E_RNA)
where:
Base-Base interactions energy: -126.352
where: short stacking energy: -79.810
Base-Backbone interact. energy: -0.024
local terms energy: -71.025516
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -18.626
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: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -196.652388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.652388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.682586 (E_RNA)
where:
Base-Base interactions energy: -116.074
where: short stacking energy: -71.826
Base-Backbone interact. energy: -0.131
local terms energy: -80.477520
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -16.833
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: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -181.352158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.352158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.402307 (E_RNA)
where:
Base-Base interactions energy: -107.475
where: short stacking energy: -66.773
Base-Backbone interact. energy: -0.173
local terms energy: -73.754577
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -15.066
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: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -196.199949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.199949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.331554 (E_RNA)
where:
Base-Base interactions energy: -117.445
where: short stacking energy: -69.543
Base-Backbone interact. energy: -0.305
local terms energy: -78.581953
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -20.171
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: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -162.463000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.463000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.534357 (E_RNA)
where:
Base-Base interactions energy: -105.108
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.103
local terms energy: -57.324204
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -3.384
tors. eta vs tors. theta energy: -10.608
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: 1
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -136.816705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.816705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.235031 (E_RNA)
where:
Base-Base interactions energy: -82.049
where: short stacking energy: -51.698
Base-Backbone interact. energy: 1.462
local terms energy: -57.647566
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 1.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -176.313035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.313035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.490460 (E_RNA)
where:
Base-Base interactions energy: -107.743
where: short stacking energy: -54.886
Base-Backbone interact. energy: -0.647
local terms energy: -70.100280
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -4.891
tors. eta vs tors. theta energy: -19.039
Dist. restrs. and SS energy: 2.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -159.866944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.866944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.948262 (E_RNA)
where:
Base-Base interactions energy: -95.509
where: short stacking energy: -47.662
Base-Backbone interact. energy: -0.126
local terms energy: -64.313197
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -14.593
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: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -237.313292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.313292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.657680 (E_RNA)
where:
Base-Base interactions energy: -163.497
where: short stacking energy: -77.943
Base-Backbone interact. energy: -0.352
local terms energy: -74.808695
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 1.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -238.409619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.409619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.409619 (E_RNA)
where:
Base-Base interactions energy: -155.590
where: short stacking energy: -88.674
Base-Backbone interact. energy: -0.035
local terms energy: -82.784774
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -20.674
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -189.861428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.861428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.164208 (E_RNA)
where:
Base-Base interactions energy: -112.815
where: short stacking energy: -71.817
Base-Backbone interact. energy: -0.961
local terms energy: -76.388966
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -185.751652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.751652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.786237 (E_RNA)
where:
Base-Base interactions energy: -117.658
where: short stacking energy: -74.328
Base-Backbone interact. energy: -1.225
local terms energy: -66.903330
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -15.847
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: 11
Temperature: 1.100000
Total energy: -191.350541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.350541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.511862 (E_RNA)
where:
Base-Base interactions energy: -115.699
where: short stacking energy: -67.182
Base-Backbone interact. energy: -0.002
local terms energy: -75.811247
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -14.068
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: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -208.414491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.414491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.414491 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -67.830
Base-Backbone interact. energy: -0.091
local terms energy: -65.830579
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (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: 11
Temperature: 1.200000
Total energy: -174.288571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.288571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.288571 (E_RNA)
where:
Base-Base interactions energy: -102.701
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.011
local terms energy: -71.576886
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: -0.000 (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: 11
Temperature: 1.250000
Total energy: -175.867140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.867140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.086831 (E_RNA)
where:
Base-Base interactions energy: -109.580
where: short stacking energy: -63.628
Base-Backbone interact. energy: -0.263
local terms energy: -66.244000
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -15.316
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: 1
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -126.087646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.087646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.881859 (E_RNA)
where:
Base-Base interactions energy: -79.291
where: short stacking energy: -46.550
Base-Backbone interact. energy: -0.097
local terms energy: -47.494162
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -150.234892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.234892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.975204 (E_RNA)
where:
Base-Base interactions energy: -103.835
where: short stacking energy: -50.202
Base-Backbone interact. energy: 0.324
local terms energy: -47.464358
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -8.686
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -10.166
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -235.381385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.381385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.786960 (E_RNA)
where:
Base-Base interactions energy: -150.910
where: short stacking energy: -83.404
Base-Backbone interact. energy: -0.148
local terms energy: -85.728239
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 1.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -235.594892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.594892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.594892 (E_RNA)
where:
Base-Base interactions energy: -154.013
where: short stacking energy: -86.218
Base-Backbone interact. energy: -0.028
local terms energy: -81.554664
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (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: 12
Temperature: 1.000000
Total energy: -187.564687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.564687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.697477 (E_RNA)
where:
Base-Base interactions energy: -112.034
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.043
local terms energy: -75.620278
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -13.677
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -188.285033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.285033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.345514 (E_RNA)
where:
Base-Base interactions energy: -116.848
where: short stacking energy: -70.337
Base-Backbone interact. energy: -0.009
local terms energy: -71.488443
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -18.402
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: 12
Temperature: 1.100000
Total energy: -195.626875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.626875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.160857 (E_RNA)
where:
Base-Base interactions energy: -115.348
where: short stacking energy: -65.223
Base-Backbone interact. energy: -0.053
local terms energy: -80.759948
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -19.807
Dist. restrs. and SS energy: 0.534 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -173.102903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.102903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.116343 (E_RNA)
where:
Base-Base interactions energy: -105.298
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.050
local terms energy: -67.767834
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -13.434
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: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -185.432664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.432664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.432664 (E_RNA)
where:
Base-Base interactions energy: -121.498
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.151
local terms energy: -63.783891
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -9.266
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: -0.000 (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: 12
Temperature: 1.250000
Total energy: -155.660429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.660429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.689027 (E_RNA)
where:
Base-Base interactions energy: -89.441
where: short stacking energy: -51.030
Base-Backbone interact. energy: -0.012
local terms energy: -66.235974
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -12.829
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: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -143.651355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.651355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.665879 (E_RNA)
where:
Base-Base interactions energy: -84.629
where: short stacking energy: -44.238
Base-Backbone interact. energy: -0.143
local terms energy: -58.894591
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -8.804
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: 1
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -140.209821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.209821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.581848 (E_RNA)
where:
Base-Base interactions energy: -79.199
where: short stacking energy: -45.106
Base-Backbone interact. energy: 1.190
local terms energy: -64.572730
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 2.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -224.716882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.716882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.763105 (E_RNA)
where:
Base-Base interactions energy: -145.002
where: short stacking energy: -72.486
Base-Backbone interact. energy: -0.594
local terms energy: -79.167448
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -20.372
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: 7
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -244.980762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.980762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.980762 (E_RNA)
where:
Base-Base interactions energy: -159.146
where: short stacking energy: -84.787
Base-Backbone interact. energy: 0.120
local terms energy: -85.955124
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -14.071
tors. eta vs tors. theta energy: -22.952
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: 3, replica: 9
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -186.866745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.866745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.496508 (E_RNA)
where:
Base-Base interactions energy: -113.700
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.453
local terms energy: -73.343181
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -187.327720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.327720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.327720 (E_RNA)
where:
Base-Base interactions energy: -116.738
where: short stacking energy: -66.418
Base-Backbone interact. energy: -0.193
local terms energy: -70.396486
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -192.380628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.380628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.880330 (E_RNA)
where:
Base-Base interactions energy: -114.785
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.025
local terms energy: -78.070084
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -17.518
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -170.323340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.323340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.358574 (E_RNA)
where:
Base-Base interactions energy: -102.238
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.180
local terms energy: -67.941230
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -14.389
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: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -174.344018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.344018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.437239 (E_RNA)
where:
Base-Base interactions energy: -104.957
where: short stacking energy: -60.815
Base-Backbone interact. energy: 0.055
local terms energy: -69.535810
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -159.133131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.133131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.133131 (E_RNA)
where:
Base-Base interactions energy: -91.588
where: short stacking energy: -45.689
Base-Backbone interact. energy: -0.242
local terms energy: -67.302952
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -7.192
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: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -159.725615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.725615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.807274 (E_RNA)
where:
Base-Base interactions energy: -101.918
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.048
local terms energy: -57.841689
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -14.048
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: 1
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -167.322539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.322539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.585583 (E_RNA)
where:
Base-Base interactions energy: -108.748
where: short stacking energy: -66.541
Base-Backbone interact. energy: -0.048
local terms energy: -58.789652
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -0.460
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -19.567
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: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -246.152574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.152574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.188248 (E_RNA)
where:
Base-Base interactions energy: -161.021
where: short stacking energy: -89.574
Base-Backbone interact. energy: -0.796
local terms energy: -84.371322
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -23.474
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: 14
Temperature: 0.950000
Total energy: -221.992490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.992490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.852758 (E_RNA)
where:
Base-Base interactions energy: -141.982
where: short stacking energy: -73.328
Base-Backbone interact. energy: -0.215
local terms energy: -81.656344
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 1.860 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -187.216641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.216641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.235004 (E_RNA)
where:
Base-Base interactions energy: -115.687
where: short stacking energy: -65.826
Base-Backbone interact. energy: -0.432
local terms energy: -71.116261
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -15.254
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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -171.360365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.360365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.374100 (E_RNA)
where:
Base-Base interactions energy: -101.361
where: short stacking energy: -60.847
Base-Backbone interact. energy: -0.011
local terms energy: -70.002544
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -9.666
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: 14
Temperature: 1.100000
Total energy: -196.517161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.517161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.525862 (E_RNA)
where:
Base-Base interactions energy: -120.051
where: short stacking energy: -67.473
Base-Backbone interact. energy: -0.551
local terms energy: -75.924401
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -16.724
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: 14
Temperature: 1.150000
Total energy: -177.007616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.007616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.009064 (E_RNA)
where:
Base-Base interactions energy: -109.079
where: short stacking energy: -49.649
Base-Backbone interact. energy: -1.139
local terms energy: -66.790806
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -10.555
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: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -175.423117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.423117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.964200 (E_RNA)
where:
Base-Base interactions energy: -107.474
where: short stacking energy: -58.267
Base-Backbone interact. energy: -0.108
local terms energy: -69.381718
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 1.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -162.021168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.021168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.296298 (E_RNA)
where:
Base-Base interactions energy: -97.851
where: short stacking energy: -61.595
Base-Backbone interact. energy: 0.451
local terms energy: -64.896982
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -12.984
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: 1
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -146.128309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.128309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.274111 (E_RNA)
where:
Base-Base interactions energy: -93.002
where: short stacking energy: -54.334
Base-Backbone interact. energy: -0.238
local terms energy: -53.034217
where:
bonds (distance) C4'-P energy: -7.876
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -7.959
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: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -164.704270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.704270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.101692 (E_RNA)
where:
Base-Base interactions energy: -105.130
where: short stacking energy: -44.938
Base-Backbone interact. energy: -0.002
local terms energy: -60.969342
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -1.441
tors. eta vs tors. theta energy: -12.292
Dist. restrs. and SS energy: 1.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -245.208033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.208033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.208033 (E_RNA)
where:
Base-Base interactions energy: -159.151
where: short stacking energy: -91.670
Base-Backbone interact. energy: -0.009
local terms energy: -86.047711
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -25.840
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: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -232.783271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.783271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.808949 (E_RNA)
where:
Base-Base interactions energy: -155.021
where: short stacking energy: -86.601
Base-Backbone interact. energy: -0.075
local terms energy: -77.712920
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -19.978
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: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -193.354907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.354907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.509604 (E_RNA)
where:
Base-Base interactions energy: -115.771
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.745
local terms energy: -76.993314
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -17.299
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: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -211.045222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.045222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.062234 (E_RNA)
where:
Base-Base interactions energy: -141.545
where: short stacking energy: -77.847
Base-Backbone interact. energy: -0.005
local terms energy: -69.511540
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -15.451
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: 15
Temperature: 1.100000
Total energy: -185.973286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.973286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.413174 (E_RNA)
where:
Base-Base interactions energy: -123.319
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.075
local terms energy: -64.019051
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 1.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -173.133185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.133185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.620121 (E_RNA)
where:
Base-Base interactions energy: -109.516
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.062
local terms energy: -65.041622
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -167.414634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.414634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.656769 (E_RNA)
where:
Base-Base interactions energy: -100.986
where: short stacking energy: -50.207
Base-Backbone interact. energy: -0.198
local terms energy: -66.472531
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -16.441
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -157.583070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.583070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.727548 (E_RNA)
where:
Base-Base interactions energy: -99.245
where: short stacking energy: -56.675
Base-Backbone interact. energy: -0.008
local terms energy: -58.473719
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -15.818
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: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -152.551947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.551947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.733535 (E_RNA)
where:
Base-Base interactions energy: -94.788
where: short stacking energy: -59.789
Base-Backbone interact. energy: -0.104
local terms energy: -57.841644
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -12.284
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: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -155.399095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.399095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.410260 (E_RNA)
where:
Base-Base interactions energy: -92.813
where: short stacking energy: -46.340
Base-Backbone interact. energy: -0.099
local terms energy: -62.498566
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -10.135
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -12.899
tors. eta vs tors. theta energy: -9.271
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: 16
Temperature: 0.900000
Total energy: -244.623349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.623349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.659353 (E_RNA)
where:
Base-Base interactions energy: -160.500
where: short stacking energy: -87.467
Base-Backbone interact. energy: -0.005
local terms energy: -84.154288
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -22.933
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: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -217.641117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.641117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.641117 (E_RNA)
where:
Base-Base interactions energy: -135.574
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.076
local terms energy: -81.991458
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -20.213
Dist. restrs. and SS energy: 0.000 (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: 16
Temperature: 1.000000
Total energy: -239.525496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.525496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.749078 (E_RNA)
where:
Base-Base interactions energy: -153.169
where: short stacking energy: -83.934
Base-Backbone interact. energy: -0.021
local terms energy: -86.559647
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -16.765
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -22.395
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: 4, replica: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -194.690088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.690088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.693146 (E_RNA)
where:
Base-Base interactions energy: -117.666
where: short stacking energy: -72.058
Base-Backbone interact. energy: -0.195
local terms energy: -76.831982
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -21.047
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: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -190.611057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.611057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.684773 (E_RNA)
where:
Base-Base interactions energy: -119.291
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.033
local terms energy: -71.361122
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -14.328
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: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -169.510500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.510500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.521345 (E_RNA)
where:
Base-Base interactions energy: -102.739
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.604
local terms energy: -66.178379
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -169.267510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.267510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.305825 (E_RNA)
where:
Base-Base interactions energy: -102.752
where: short stacking energy: -55.061
Base-Backbone interact. energy: 2.083
local terms energy: -68.636960
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -16.256
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: 16
Temperature: 1.250000
Total energy: -164.741828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.741828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.239538 (E_RNA)
where:
Base-Base interactions energy: -102.127
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.156
local terms energy: -62.956482
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -12.858
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: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -165.935217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.935217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.455080 (E_RNA)
where:
Base-Base interactions energy: -101.580
where: short stacking energy: -65.206
Base-Backbone interact. energy: 2.979
local terms energy: -67.853708
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -13.378
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: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -147.930658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.930658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.196528 (E_RNA)
where:
Base-Base interactions energy: -100.844
where: short stacking energy: -59.584
Base-Backbone interact. energy: 0.371
local terms energy: -47.723482
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -11.064
flat angles C4'-P-C4' energy: -8.203
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -11.604
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: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -238.240568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.240568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.441004 (E_RNA)
where:
Base-Base interactions energy: -157.343
where: short stacking energy: -86.936
Base-Backbone interact. energy: -0.060
local terms energy: -81.038359
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -22.169
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: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -238.336286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.336286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.392985 (E_RNA)
where:
Base-Base interactions energy: -157.613
where: short stacking energy: -81.129
Base-Backbone interact. energy: -0.000
local terms energy: -80.779719
where:
bonds (distance) C4'-P energy: -16.561
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -22.659
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: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -222.834600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.834600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.026468 (E_RNA)
where:
Base-Base interactions energy: -141.193
where: short stacking energy: -74.932
Base-Backbone interact. energy: -0.056
local terms energy: -81.777360
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -22.012
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: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -220.016551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.016551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.022264 (E_RNA)
where:
Base-Base interactions energy: -144.940
where: short stacking energy: -84.077
Base-Backbone interact. energy: 0.309
local terms energy: -75.390927
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -20.792
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: 17
Temperature: 1.100000
Total energy: -181.138038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.138038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.269321 (E_RNA)
where:
Base-Base interactions energy: -110.578
where: short stacking energy: -70.895
Base-Backbone interact. energy: -0.515
local terms energy: -70.175988
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -9.600
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -20.715
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: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -207.013123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.013123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.061999 (E_RNA)
where:
Base-Base interactions energy: -131.522
where: short stacking energy: -75.962
Base-Backbone interact. energy: -0.115
local terms energy: -75.424590
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -16.834
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: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -176.279025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.279025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.324096 (E_RNA)
where:
Base-Base interactions energy: -108.516
where: short stacking energy: -63.097
Base-Backbone interact. energy: -1.755
local terms energy: -66.053674
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -14.412
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: 17
Temperature: 1.250000
Total energy: -169.490625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.490625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.763969 (E_RNA)
where:
Base-Base interactions energy: -104.989
where: short stacking energy: -63.654
Base-Backbone interact. energy: -0.130
local terms energy: -64.645140
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -12.101
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: 9, replica: 3
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -151.121561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.121561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.413585 (E_RNA)
where:
Base-Base interactions energy: -88.854
where: short stacking energy: -43.404
Base-Backbone interact. energy: -0.757
local terms energy: -61.803076
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -10.199
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: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -144.837311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.837311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.643409 (E_RNA)
where:
Base-Base interactions energy: -94.185
where: short stacking energy: -63.840
Base-Backbone interact. energy: -0.039
local terms energy: -51.419598
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: 0.004
tors. eta vs tors. theta energy: -13.748
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: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -241.362416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.362416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.364082 (E_RNA)
where:
Base-Base interactions energy: -154.185
where: short stacking energy: -81.519
Base-Backbone interact. energy: -0.028
local terms energy: -87.150743
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -18.915
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -23.700
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: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -232.276238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.276238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.322553 (E_RNA)
where:
Base-Base interactions energy: -158.679
where: short stacking energy: -88.673
Base-Backbone interact. energy: 0.007
local terms energy: -73.650549
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -19.201
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: 18
Temperature: 1.000000
Total energy: -222.614337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.614337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.357489 (E_RNA)
where:
Base-Base interactions energy: -145.432
where: short stacking energy: -72.911
Base-Backbone interact. energy: 0.197
local terms energy: -78.122427
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -219.331647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.331647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.362030 (E_RNA)
where:
Base-Base interactions energy: -145.522
where: short stacking energy: -72.429
Base-Backbone interact. energy: -0.039
local terms energy: -76.801033
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 3.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -190.444358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.444358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.537202 (E_RNA)
where:
Base-Base interactions energy: -111.279
where: short stacking energy: -60.151
Base-Backbone interact. energy: -0.815
local terms energy: -78.442905
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -172.955029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.955029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.095501 (E_RNA)
where:
Base-Base interactions energy: -107.704
where: short stacking energy: -62.899
Base-Backbone interact. energy: -0.001
local terms energy: -65.389942
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -12.237
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: 18
Temperature: 1.200000
Total energy: -163.339104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.339104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.400782 (E_RNA)
where:
Base-Base interactions energy: -101.161
where: short stacking energy: -55.208
Base-Backbone interact. energy: 0.449
local terms energy: -62.688748
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -7.617
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: 18
Temperature: 1.250000
Total energy: -167.123480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.123480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.123480 (E_RNA)
where:
Base-Base interactions energy: -97.903
where: short stacking energy: -55.869
Base-Backbone interact. energy: -0.105
local terms energy: -69.115614
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -9.893
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: 9, replica: 3
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -159.050969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.050969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.050969 (E_RNA)
where:
Base-Base interactions energy: -97.209
where: short stacking energy: -58.156
Base-Backbone interact. energy: -0.316
local terms energy: -61.525322
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -8.592
flat angles P-C4'-P energy: -12.017
tors. eta vs tors. theta energy: -15.104
Dist. restrs. and SS energy: -0.000 (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: 18
Temperature: 1.350000
Total energy: -158.490616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.490616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.735846 (E_RNA)
where:
Base-Base interactions energy: -101.637
where: short stacking energy: -61.509
Base-Backbone interact. energy: -0.039
local terms energy: -58.060060
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -10.091
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -9.560
Dist. restrs. and SS energy: 1.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -241.732340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.732340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.732340 (E_RNA)
where:
Base-Base interactions energy: -157.680
where: short stacking energy: -79.569
Base-Backbone interact. energy: -0.008
local terms energy: -84.044559
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -23.750
Dist. restrs. and SS energy: 0.000 (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: 19
Temperature: 0.950000
Total energy: -215.090800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.090800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.142600 (E_RNA)
where:
Base-Base interactions energy: -141.630
where: short stacking energy: -73.182
Base-Backbone interact. energy: -0.175
local terms energy: -73.337621
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -17.494
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: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -232.265903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.265903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.561692 (E_RNA)
where:
Base-Base interactions energy: -153.138
where: short stacking energy: -84.823
Base-Backbone interact. energy: -0.607
local terms energy: -79.816641
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -23.329
Dist. restrs. and SS energy: 1.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -228.778289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.778289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.938898 (E_RNA)
where:
Base-Base interactions energy: -152.137
where: short stacking energy: -82.973
Base-Backbone interact. energy: -0.353
local terms energy: -77.449064
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 1.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -205.883589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.883589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.322416 (E_RNA)
where:
Base-Base interactions energy: -139.165
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.081
local terms energy: -67.077085
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -164.007969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.007969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.089951 (E_RNA)
where:
Base-Base interactions energy: -102.711
where: short stacking energy: -52.906
Base-Backbone interact. energy: -0.230
local terms energy: -61.148979
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -6.442
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: 19
Temperature: 1.200000
Total energy: -168.931721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.931721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.178472 (E_RNA)
where:
Base-Base interactions energy: -99.913
where: short stacking energy: -59.859
Base-Backbone interact. energy: -0.029
local terms energy: -69.235695
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -176.948684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.948684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.773097 (E_RNA)
where:
Base-Base interactions energy: -109.138
where: short stacking energy: -63.314
Base-Backbone interact. energy: -0.368
local terms energy: -69.266644
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 1.824 (S_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: 19
Temperature: 1.300000
Total energy: -151.568925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.568925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.684637 (E_RNA)
where:
Base-Base interactions energy: -102.657
where: short stacking energy: -44.843
Base-Backbone interact. energy: 2.142
local terms energy: -51.169807
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -143.565378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.565378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.578055 (E_RNA)
where:
Base-Base interactions energy: -83.989
where: short stacking energy: -46.344
Base-Backbone interact. energy: -0.008
local terms energy: -59.580736
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -7.220
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: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -240.224181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.224181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.245586 (E_RNA)
where:
Base-Base interactions energy: -156.228
where: short stacking energy: -81.730
Base-Backbone interact. energy: -0.155
local terms energy: -83.862030
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -21.616
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: 20
Temperature: 0.950000
Total energy: -215.008289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.008289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.430152 (E_RNA)
where:
Base-Base interactions energy: -142.507
where: short stacking energy: -77.057
Base-Backbone interact. energy: -0.085
local terms energy: -72.838802
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.422 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -227.464636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.464636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.464636 (E_RNA)
where:
Base-Base interactions energy: -146.667
where: short stacking energy: -75.670
Base-Backbone interact. energy: -0.002
local terms energy: -80.795037
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -21.685
Dist. restrs. and SS energy: 0.000 (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: 20
Temperature: 1.050000
Total energy: -192.366808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.366808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.366808 (E_RNA)
where:
Base-Base interactions energy: -114.588
where: short stacking energy: -68.667
Base-Backbone interact. energy: -0.119
local terms energy: -77.659480
where:
bonds (distance) C4'-P energy: -16.068
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: -0.000 (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: 20
Temperature: 1.100000
Total energy: -205.512216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.512216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.105105 (E_RNA)
where:
Base-Base interactions energy: -133.884
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.003
local terms energy: -72.218705
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -176.097416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.097416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.122187 (E_RNA)
where:
Base-Base interactions energy: -114.504
where: short stacking energy: -54.540
Base-Backbone interact. energy: -0.050
local terms energy: -61.567491
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -7.654
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: 20
Temperature: 1.200000
Total energy: -169.971443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.971443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.006250 (E_RNA)
where:
Base-Base interactions energy: -104.517
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.340
local terms energy: -65.149128
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -152.032546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.032546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.848910 (E_RNA)
where:
Base-Base interactions energy: -89.766
where: short stacking energy: -55.703
Base-Backbone interact. energy: -0.263
local terms energy: -62.819059
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -157.556804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.556804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.567725 (E_RNA)
where:
Base-Base interactions energy: -94.213
where: short stacking energy: -56.195
Base-Backbone interact. energy: -0.180
local terms energy: -63.174642
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -12.057
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: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -147.904248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.904248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.972297 (E_RNA)
where:
Base-Base interactions energy: -86.540
where: short stacking energy: -49.316
Base-Backbone interact. energy: 1.717
local terms energy: -63.149415
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -4.170
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: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -239.727528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.727528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.841808 (E_RNA)
where:
Base-Base interactions energy: -158.512
where: short stacking energy: -87.082
Base-Backbone interact. energy: -0.007
local terms energy: -81.323393
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -23.897
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -217.680697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.680697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.656316 (E_RNA)
where:
Base-Base interactions energy: -140.592
where: short stacking energy: -75.426
Base-Backbone interact. energy: 0.013
local terms energy: -78.077398
where:
bonds (distance) C4'-P energy: -17.020
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -19.993
Dist. restrs. and SS energy: 0.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -231.098018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.098018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.171621 (E_RNA)
where:
Base-Base interactions energy: -152.810
where: short stacking energy: -80.490
Base-Backbone interact. energy: -0.466
local terms energy: -77.895373
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -21.099
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: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -190.929092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.929092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.941039 (E_RNA)
where:
Base-Base interactions energy: -114.610
where: short stacking energy: -71.200
Base-Backbone interact. energy: -0.009
local terms energy: -76.321316
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -16.322
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: 21
Temperature: 1.100000
Total energy: -176.577076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.577076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.727650 (E_RNA)
where:
Base-Base interactions energy: -108.771
where: short stacking energy: -68.188
Base-Backbone interact. energy: -2.459
local terms energy: -65.497952
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -11.585
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: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -168.552456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.552456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.574544 (E_RNA)
where:
Base-Base interactions energy: -103.397
where: short stacking energy: -62.464
Base-Backbone interact. energy: -0.022
local terms energy: -65.155142
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -11.662
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: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -182.967798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.967798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.272513 (E_RNA)
where:
Base-Base interactions energy: -115.228
where: short stacking energy: -66.417
Base-Backbone interact. energy: -0.421
local terms energy: -67.623703
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.305 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -170.747794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.747794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.963165 (E_RNA)
where:
Base-Base interactions energy: -98.978
where: short stacking energy: -59.607
Base-Backbone interact. energy: -0.027
local terms energy: -71.958391
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -166.788821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.788821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.788821 (E_RNA)
where:
Base-Base interactions energy: -107.234
where: short stacking energy: -59.805
Base-Backbone interact. energy: -0.257
local terms energy: -59.297639
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -14.557
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: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -155.903586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.903586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.024579 (E_RNA)
where:
Base-Base interactions energy: -95.924
where: short stacking energy: -56.594
Base-Backbone interact. energy: -0.110
local terms energy: -59.990767
where:
bonds (distance) C4'-P energy: -7.172
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -13.729
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: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -246.312608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.312608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.384019 (E_RNA)
where:
Base-Base interactions energy: -163.699
where: short stacking energy: -88.344
Base-Backbone interact. energy: -0.002
local terms energy: -82.683335
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -25.566
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: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -235.580381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.580381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.073820 (E_RNA)
where:
Base-Base interactions energy: -151.694
where: short stacking energy: -83.899
Base-Backbone interact. energy: -0.003
local terms energy: -85.376185
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -23.530
Dist. restrs. and SS energy: 1.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -201.920476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.920476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.959683 (E_RNA)
where:
Base-Base interactions energy: -132.154
where: short stacking energy: -69.914
Base-Backbone interact. energy: -0.040
local terms energy: -69.766035
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -13.682
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: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -214.919952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.919952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.928127 (E_RNA)
where:
Base-Base interactions energy: -139.414
where: short stacking energy: -80.462
Base-Backbone interact. energy: -0.054
local terms energy: -75.459558
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -20.534
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: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -184.398821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.398821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.425219 (E_RNA)
where:
Base-Base interactions energy: -119.689
where: short stacking energy: -71.294
Base-Backbone interact. energy: -0.110
local terms energy: -64.626074
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -11.063
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: 22
Temperature: 1.150000
Total energy: -181.010598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.010598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.766136 (E_RNA)
where:
Base-Base interactions energy: -104.830
where: short stacking energy: -63.387
Base-Backbone interact. energy: -1.505
local terms energy: -75.431447
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -18.079
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -163.358570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.358570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.360065 (E_RNA)
where:
Base-Base interactions energy: -96.322
where: short stacking energy: -55.184
Base-Backbone interact. energy: -1.157
local terms energy: -65.881168
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -9.933
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: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -161.703079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.703079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.807868 (E_RNA)
where:
Base-Base interactions energy: -104.332
where: short stacking energy: -56.762
Base-Backbone interact. energy: -0.321
local terms energy: -58.154253
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -8.590
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -156.384775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.384775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.546203 (E_RNA)
where:
Base-Base interactions energy: -95.002
where: short stacking energy: -48.736
Base-Backbone interact. energy: 0.087
local terms energy: -61.631436
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -11.513
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: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -172.712061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.712061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.038251 (E_RNA)
where:
Base-Base interactions energy: -107.261
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.007
local terms energy: -65.770509
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -14.547
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: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -243.833568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.833568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.839870 (E_RNA)
where:
Base-Base interactions energy: -159.072
where: short stacking energy: -84.159
Base-Backbone interact. energy: -0.271
local terms energy: -84.497052
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -23.146
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: 23
Temperature: 0.950000
Total energy: -210.048851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.048851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.135677 (E_RNA)
where:
Base-Base interactions energy: -134.420
where: short stacking energy: -78.811
Base-Backbone interact. energy: -0.671
local terms energy: -75.044835
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -17.545
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: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -227.880965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.880965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.155940 (E_RNA)
where:
Base-Base interactions energy: -146.531
where: short stacking energy: -81.438
Base-Backbone interact. energy: -0.010
local terms energy: -81.614942
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -189.030212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.030212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.216874 (E_RNA)
where:
Base-Base interactions energy: -122.689
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.994
local terms energy: -66.533744
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 1.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -179.106843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.106843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.106843 (E_RNA)
where:
Base-Base interactions energy: -118.773
where: short stacking energy: -64.701
Base-Backbone interact. energy: -0.421
local terms energy: -59.913054
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -9.342
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: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -176.626190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.626190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.950146 (E_RNA)
where:
Base-Base interactions energy: -105.544
where: short stacking energy: -66.191
Base-Backbone interact. energy: -0.247
local terms energy: -71.159251
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -160.541942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.541942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.541942 (E_RNA)
where:
Base-Base interactions energy: -104.636
where: short stacking energy: -62.766
Base-Backbone interact. energy: 3.581
local terms energy: -59.487012
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -10.899
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: 23
Temperature: 1.250000
Total energy: -172.664247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.664247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.670175 (E_RNA)
where:
Base-Base interactions energy: -105.720
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.110
local terms energy: -66.840202
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -14.211
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: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -177.955625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.955625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.852004 (E_RNA)
where:
Base-Base interactions energy: -111.127
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.220
local terms energy: -67.505295
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -150.633701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.633701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.665820 (E_RNA)
where:
Base-Base interactions energy: -96.616
where: short stacking energy: -50.142
Base-Backbone interact. energy: -0.110
local terms energy: -53.940077
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -5.291
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -8.250
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: 24
Temperature: 0.900000
Total energy: -241.416458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.416458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.544084 (E_RNA)
where:
Base-Base interactions energy: -152.149
where: short stacking energy: -83.330
Base-Backbone interact. energy: -1.118
local terms energy: -88.276465
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -24.828
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: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -202.333552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.333552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.435976 (E_RNA)
where:
Base-Base interactions energy: -124.350
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.013
local terms energy: -78.072912
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -208.559792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.559792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.789481 (E_RNA)
where:
Base-Base interactions energy: -123.281
where: short stacking energy: -80.667
Base-Backbone interact. energy: 0.248
local terms energy: -85.756428
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -22.567
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: 24
Temperature: 1.050000
Total energy: -205.393879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.393879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.393879 (E_RNA)
where:
Base-Base interactions energy: -126.316
where: short stacking energy: -64.956
Base-Backbone interact. energy: -0.123
local terms energy: -78.954514
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -18.490
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: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -196.016706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.016706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.422719 (E_RNA)
where:
Base-Base interactions energy: -129.379
where: short stacking energy: -68.367
Base-Backbone interact. energy: -0.018
local terms energy: -67.025061
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -188.606560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.606560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.663681 (E_RNA)
where:
Base-Base interactions energy: -113.749
where: short stacking energy: -54.684
Base-Backbone interact. energy: -0.569
local terms energy: -74.346117
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -13.572
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: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -162.949925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.949925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.164762 (E_RNA)
where:
Base-Base interactions energy: -103.244
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.251
local terms energy: -59.670143
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -10.729
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -162.274349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.274349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.355256 (E_RNA)
where:
Base-Base interactions energy: -100.865
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.291
local terms energy: -61.199156
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -10.142
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: 24
Temperature: 1.300000
Total energy: -152.217162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.217162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.840706 (E_RNA)
where:
Base-Base interactions energy: -97.425
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.655
local terms energy: -54.760202
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -10.846
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -2.198
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.624 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -148.080476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.080476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.119160 (E_RNA)
where:
Base-Base interactions energy: -94.901
where: short stacking energy: -48.224
Base-Backbone interact. energy: 0.864
local terms energy: -54.082469
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -9.200
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: 25
Temperature: 0.900000
Total energy: -245.627556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.627556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.726950 (E_RNA)
where:
Base-Base interactions energy: -155.863
where: short stacking energy: -92.551
Base-Backbone interact. energy: -0.004
local terms energy: -89.859902
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -196.054470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.054470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.111827 (E_RNA)
where:
Base-Base interactions energy: -125.994
where: short stacking energy: -69.912
Base-Backbone interact. energy: -0.123
local terms energy: -69.994253
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -15.982
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: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -206.656476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.656476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.172074 (E_RNA)
where:
Base-Base interactions energy: -127.147
where: short stacking energy: -76.532
Base-Backbone interact. energy: -0.044
local terms energy: -80.980347
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 1.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -206.136296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.136296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.912539 (E_RNA)
where:
Base-Base interactions energy: -131.574
where: short stacking energy: -67.727
Base-Backbone interact. energy: 0.320
local terms energy: -75.659019
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -176.423063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.423063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.878459 (E_RNA)
where:
Base-Base interactions energy: -104.016
where: short stacking energy: -59.932
Base-Backbone interact. energy: -0.018
local terms energy: -72.845033
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -12.556
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: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -191.755867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.755867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.141051 (E_RNA)
where:
Base-Base interactions energy: -123.422
where: short stacking energy: -79.372
Base-Backbone interact. energy: -0.025
local terms energy: -68.694335
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -8.783
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -161.094191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.094191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.273105 (E_RNA)
where:
Base-Base interactions energy: -98.896
where: short stacking energy: -57.152
Base-Backbone interact. energy: -0.028
local terms energy: -62.348318
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -9.438
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: 25
Temperature: 1.250000
Total energy: -143.836019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.836019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.929927 (E_RNA)
where:
Base-Base interactions energy: -87.807
where: short stacking energy: -52.267
Base-Backbone interact. energy: -0.156
local terms energy: -56.966540
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 1.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -159.099595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.099595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.371710 (E_RNA)
where:
Base-Base interactions energy: -90.227
where: short stacking energy: -57.618
Base-Backbone interact. energy: -1.415
local terms energy: -67.730305
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -14.575
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: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -156.527661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.527661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.647928 (E_RNA)
where:
Base-Base interactions energy: -95.888
where: short stacking energy: -58.788
Base-Backbone interact. energy: -0.039
local terms energy: -60.721217
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -14.321
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: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -234.423590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.423590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.957131 (E_RNA)
where:
Base-Base interactions energy: -150.485
where: short stacking energy: -80.530
Base-Backbone interact. energy: -0.013
local terms energy: -84.459202
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -22.174
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: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -208.188209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.188209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.188649 (E_RNA)
where:
Base-Base interactions energy: -132.241
where: short stacking energy: -68.042
Base-Backbone interact. energy: -0.109
local terms energy: -75.839192
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.000 (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: 26
Temperature: 1.000000
Total energy: -225.290898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.290898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.905971 (E_RNA)
where:
Base-Base interactions energy: -150.899
where: short stacking energy: -80.190
Base-Backbone interact. energy: 1.224
local terms energy: -76.230677
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -223.639706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.639706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.798539 (E_RNA)
where:
Base-Base interactions energy: -150.092
where: short stacking energy: -72.406
Base-Backbone interact. energy: -0.000
local terms energy: -73.706428
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -198.844738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.844738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.848301 (E_RNA)
where:
Base-Base interactions energy: -126.541
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.403
local terms energy: -71.904627
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -16.620
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: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -191.294981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.294981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.318335 (E_RNA)
where:
Base-Base interactions energy: -120.588
where: short stacking energy: -70.058
Base-Backbone interact. energy: -0.774
local terms energy: -69.955880
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -14.032
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: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -170.960848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.960848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.231597 (E_RNA)
where:
Base-Base interactions energy: -103.229
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.979
local terms energy: -67.023939
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -11.696
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: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -160.272158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.272158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.272158 (E_RNA)
where:
Base-Base interactions energy: -99.755
where: short stacking energy: -52.902
Base-Backbone interact. energy: -0.304
local terms energy: -60.212942
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -8.527
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: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -164.222427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.222427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.324459 (E_RNA)
where:
Base-Base interactions energy: -101.676
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.102
local terms energy: -62.546535
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -15.350
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: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -153.121146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.121146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.870238 (E_RNA)
where:
Base-Base interactions energy: -97.313
where: short stacking energy: -53.556
Base-Backbone interact. energy: -0.074
local terms energy: -56.483288
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: 2.109
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.749 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -230.113061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.113061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.503828 (E_RNA)
where:
Base-Base interactions energy: -147.608
where: short stacking energy: -75.491
Base-Backbone interact. energy: -0.001
local terms energy: -82.894386
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -19.882
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: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -234.282059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.282059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.912531 (E_RNA)
where:
Base-Base interactions energy: -155.405
where: short stacking energy: -82.213
Base-Backbone interact. energy: -0.104
local terms energy: -80.403933
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -21.555
Dist. restrs. and SS energy: 1.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -206.739184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.739184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.764677 (E_RNA)
where:
Base-Base interactions energy: -128.572
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.251
local terms energy: -77.941505
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -14.625
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: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -227.764732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.764732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.808323 (E_RNA)
where:
Base-Base interactions energy: -149.035
where: short stacking energy: -82.612
Base-Backbone interact. energy: -0.289
local terms energy: -79.484148
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 1.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -210.386703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.386703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.324540 (E_RNA)
where:
Base-Base interactions energy: -141.611
where: short stacking energy: -80.196
Base-Backbone interact. energy: -0.004
local terms energy: -69.709689
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -199.141407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.141407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.082414 (E_RNA)
where:
Base-Base interactions energy: -122.092
where: short stacking energy: -62.680
Base-Backbone interact. energy: -0.038
local terms energy: -77.951966
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -18.263
Dist. restrs. and SS energy: 0.941 (S_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: 27
Temperature: 1.200000
Total energy: -201.720940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.720940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.745924 (E_RNA)
where:
Base-Base interactions energy: -119.903
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.101
local terms energy: -81.742243
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -20.176
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: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -174.525245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.525245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.646927 (E_RNA)
where:
Base-Base interactions energy: -115.028
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.618
local terms energy: -60.001053
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 1.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -156.066759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.066759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.174935 (E_RNA)
where:
Base-Base interactions energy: -94.925
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.169
local terms energy: -61.081819
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -13.535
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: 27
Temperature: 1.350000
Total energy: -154.395168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.395168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.479527 (E_RNA)
where:
Base-Base interactions energy: -102.690
where: short stacking energy: -51.578
Base-Backbone interact. energy: -0.247
local terms energy: -51.542668
where:
bonds (distance) C4'-P energy: -5.983
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -10.366
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: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -240.863177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.863177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.152942 (E_RNA)
where:
Base-Base interactions energy: -155.378
where: short stacking energy: -86.403
Base-Backbone interact. energy: -0.001
local terms energy: -85.774284
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -21.901
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: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -231.051742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.051742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.055065 (E_RNA)
where:
Base-Base interactions energy: -148.649
where: short stacking energy: -71.046
Base-Backbone interact. energy: -1.295
local terms energy: -83.111572
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 2.003 (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: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -201.911713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.911713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.561655 (E_RNA)
where:
Base-Base interactions energy: -121.570
where: short stacking energy: -72.316
Base-Backbone interact. energy: -0.611
local terms energy: -80.380287
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -197.442253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.442253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.468417 (E_RNA)
where:
Base-Base interactions energy: -127.314
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.005
local terms energy: -70.149662
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -15.096
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: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -181.956217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.956217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.928343 (E_RNA)
where:
Base-Base interactions energy: -114.045
where: short stacking energy: -68.333
Base-Backbone interact. energy: -1.261
local terms energy: -67.622238
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -14.587
Dist. restrs. and SS energy: 0.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -203.063329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.063329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.225904 (E_RNA)
where:
Base-Base interactions energy: -131.868
where: short stacking energy: -74.351
Base-Backbone interact. energy: -0.075
local terms energy: -72.282996
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 1.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -172.071883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.071883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.106062 (E_RNA)
where:
Base-Base interactions energy: -106.334
where: short stacking energy: -66.090
Base-Backbone interact. energy: -0.116
local terms energy: -65.656346
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -11.458
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: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -176.690846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.690846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.867026 (E_RNA)
where:
Base-Base interactions energy: -113.081
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.625
local terms energy: -63.160661
where:
bonds (distance) C4'-P energy: -7.589
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -14.659
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: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -166.808324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.808324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.163677 (E_RNA)
where:
Base-Base interactions energy: -104.439
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.002
local terms energy: -62.723313
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -13.668
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: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -152.783930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.783930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.861906 (E_RNA)
where:
Base-Base interactions energy: -89.006
where: short stacking energy: -50.500
Base-Backbone interact. energy: -0.033
local terms energy: -63.823195
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -9.647
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: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -234.901398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.901398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.191303 (E_RNA)
where:
Base-Base interactions energy: -155.567
where: short stacking energy: -84.065
Base-Backbone interact. energy: -0.003
local terms energy: -79.621201
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -18.783
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: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -207.857657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.857657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.591699 (E_RNA)
where:
Base-Base interactions energy: -131.895
where: short stacking energy: -88.413
Base-Backbone interact. energy: -0.110
local terms energy: -76.586372
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -20.004
Dist. restrs. and SS energy: 0.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -216.283289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.283289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.684016 (E_RNA)
where:
Base-Base interactions energy: -149.106
where: short stacking energy: -72.993
Base-Backbone interact. energy: -0.616
local terms energy: -67.962021
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -205.763042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.763042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.984948 (E_RNA)
where:
Base-Base interactions energy: -125.228
where: short stacking energy: -71.415
Base-Backbone interact. energy: -0.645
local terms energy: -80.111875
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -19.970
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -196.572791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.572791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.584148 (E_RNA)
where:
Base-Base interactions energy: -128.822
where: short stacking energy: -64.414
Base-Backbone interact. energy: -0.002
local terms energy: -67.759781
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -16.795
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: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -193.840903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.840903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.849815 (E_RNA)
where:
Base-Base interactions energy: -121.738
where: short stacking energy: -63.864
Base-Backbone interact. energy: -0.028
local terms energy: -73.083528
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 1.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -169.957532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.957532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.957532 (E_RNA)
where:
Base-Base interactions energy: -104.559
where: short stacking energy: -62.874
Base-Backbone interact. energy: -0.202
local terms energy: -65.196576
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -12.229
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: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -162.952571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.952571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.025240 (E_RNA)
where:
Base-Base interactions energy: -94.366
where: short stacking energy: -54.438
Base-Backbone interact. energy: -0.098
local terms energy: -68.561265
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -12.130
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: 29
Temperature: 1.300000
Total energy: -161.020479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.020479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.107913 (E_RNA)
where:
Base-Base interactions energy: -99.967
where: short stacking energy: -56.044
Base-Backbone interact. energy: -0.561
local terms energy: -60.579812
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -13.730
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: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -150.602644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.602644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.666024 (E_RNA)
where:
Base-Base interactions energy: -92.788
where: short stacking energy: -54.982
Base-Backbone interact. energy: -0.079
local terms energy: -57.799370
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -5.505
tors. eta vs tors. theta energy: -11.236
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: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -241.521643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.521643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.619375 (E_RNA)
where:
Base-Base interactions energy: -158.788
where: short stacking energy: -91.795
Base-Backbone interact. energy: -0.001
local terms energy: -82.829782
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -216.167781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.167781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.037077 (E_RNA)
where:
Base-Base interactions energy: -138.765
where: short stacking energy: -78.826
Base-Backbone interact. energy: -0.190
local terms energy: -78.081700
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -229.748910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.748910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.898986 (E_RNA)
where:
Base-Base interactions energy: -145.357
where: short stacking energy: -78.083
Base-Backbone interact. energy: -0.372
local terms energy: -84.170620
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -23.054
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: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -194.634602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.661576 (E_RNA)
where:
Base-Base interactions energy: -123.060
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.000
local terms energy: -71.601677
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -16.069
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: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -212.615593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.615593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.804921 (E_RNA)
where:
Base-Base interactions energy: -135.473
where: short stacking energy: -71.727
Base-Backbone interact. energy: -0.437
local terms energy: -76.895420
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -21.414
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -188.600619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.600619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.708629 (E_RNA)
where:
Base-Base interactions energy: -118.435
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.980
local terms energy: -69.294131
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -167.783191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.783191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.864804 (E_RNA)
where:
Base-Base interactions energy: -104.510
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.098
local terms energy: -63.257754
where:
bonds (distance) C4'-P energy: -8.683
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -15.624
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: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -155.232525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.232525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.236496 (E_RNA)
where:
Base-Base interactions energy: -91.869
where: short stacking energy: -53.779
Base-Backbone interact. energy: -0.495
local terms energy: -62.872440
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -12.979
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: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -160.487002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.487002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.645683 (E_RNA)
where:
Base-Base interactions energy: -93.816
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.762
local terms energy: -66.068054
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -10.561
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: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -154.685752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.685752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.375344 (E_RNA)
where:
Base-Base interactions energy: -101.860
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.005
local terms energy: -54.509847
where:
bonds (distance) C4'-P energy: -9.695
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 1.690 (S_DIST_RNA)
chem. 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: -247.266580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.266580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.306576 (E_RNA)
where:
Base-Base interactions energy: -162.201
where: short stacking energy: -89.864
Base-Backbone interact. energy: -0.004
local terms energy: -85.101605
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -22.702
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: 31
Temperature: 0.950000
Total energy: -207.702987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.702987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.924621 (E_RNA)
where:
Base-Base interactions energy: -129.603
where: short stacking energy: -77.456
Base-Backbone interact. energy: -0.621
local terms energy: -78.699757
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 1.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -193.378756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.378756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.385342 (E_RNA)
where:
Base-Base interactions energy: -116.214
where: short stacking energy: -77.507
Base-Backbone interact. energy: -0.166
local terms energy: -77.005379
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -18.198
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: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -209.236746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.236746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.888534 (E_RNA)
where:
Base-Base interactions energy: -129.975
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.239
local terms energy: -79.674210
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -21.261
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: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -183.011611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.011611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.018312 (E_RNA)
where:
Base-Base interactions energy: -117.047
where: short stacking energy: -67.847
Base-Backbone interact. energy: -0.056
local terms energy: -65.915552
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -16.238
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: 6
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -179.787041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.787041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.875478 (E_RNA)
where:
Base-Base interactions energy: -109.244
where: short stacking energy: -68.568
Base-Backbone interact. energy: -0.034
local terms energy: -70.596734
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -16.074
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: 7, replica: 3
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -197.670363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.670363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.995389 (E_RNA)
where:
Base-Base interactions energy: -121.815
where: short stacking energy: -76.270
Base-Backbone interact. energy: -0.086
local terms energy: -77.094595
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -20.561
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -165.497151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.497151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.618118 (E_RNA)
where:
Base-Base interactions energy: -104.083
where: short stacking energy: -54.748
Base-Backbone interact. energy: -1.035
local terms energy: -60.500111
where:
bonds (distance) C4'-P energy: -8.546
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -9.747
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: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -148.337318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.337318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.452764 (E_RNA)
where:
Base-Base interactions energy: -84.665
where: short stacking energy: -50.139
Base-Backbone interact. energy: -0.456
local terms energy: -63.331169
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -9.003
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: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -150.878053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.878053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.212938 (E_RNA)
where:
Base-Base interactions energy: -90.870
where: short stacking energy: -48.609
Base-Backbone interact. energy: -0.041
local terms energy: -60.301907
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -8.712
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: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -190.935106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.935106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.968472 (E_RNA)
where:
Base-Base interactions energy: -113.062
where: short stacking energy: -67.401
Base-Backbone interact. energy: -0.075
local terms energy: -77.830592
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -11.378
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: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -240.581110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.581110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.702671 (E_RNA)
where:
Base-Base interactions energy: -159.406
where: short stacking energy: -92.309
Base-Backbone interact. energy: -0.003
local terms energy: -81.293648
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -20.932
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -235.390717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.390717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.185058 (E_RNA)
where:
Base-Base interactions energy: -156.648
where: short stacking energy: -76.933
Base-Backbone interact. energy: -0.279
local terms energy: -79.257668
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -21.821
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -190.983216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.983216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.002007 (E_RNA)
where:
Base-Base interactions energy: -121.318
where: short stacking energy: -75.758
Base-Backbone interact. energy: -0.001
local terms energy: -69.683869
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -18.548
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: 32
Temperature: 1.100000
Total energy: -174.959733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.959733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.303283 (E_RNA)
where:
Base-Base interactions energy: -112.456
where: short stacking energy: -63.229
Base-Backbone interact. energy: -0.334
local terms energy: -63.513127
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 1.344 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -168.099523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.099523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.105954 (E_RNA)
where:
Base-Base interactions energy: -102.977
where: short stacking energy: -58.312
Base-Backbone interact. energy: -0.188
local terms energy: -64.940959
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -10.430
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: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -202.561766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.561766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.904828 (E_RNA)
where:
Base-Base interactions energy: -134.376
where: short stacking energy: -69.836
Base-Backbone interact. energy: -0.122
local terms energy: -68.407266
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -21.231
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: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -171.131814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.131814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.193886 (E_RNA)
where:
Base-Base interactions energy: -105.820
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.233
local terms energy: -65.141517
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -15.608
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: 32
Temperature: 1.300000
Total energy: -156.593088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.593088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.164574 (E_RNA)
where:
Base-Base interactions energy: -95.298
where: short stacking energy: -57.073
Base-Backbone interact. energy: -0.026
local terms energy: -61.840819
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -150.096372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.096372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.148138 (E_RNA)
where:
Base-Base interactions energy: -80.308
where: short stacking energy: -45.897
Base-Backbone interact. energy: -0.790
local terms energy: -69.050050
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -9.873
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: 5
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -213.461767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.461767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.461767 (E_RNA)
where:
Base-Base interactions energy: -132.287
where: short stacking energy: -72.913
Base-Backbone interact. energy: -1.852
local terms energy: -79.322329
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (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: 33
Temperature: 0.950000
Total energy: -237.783407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.783407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.885286 (E_RNA)
where:
Base-Base interactions energy: -156.188
where: short stacking energy: -84.308
Base-Backbone interact. energy: -0.095
local terms energy: -81.602060
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -228.293950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.293950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.878503 (E_RNA)
where:
Base-Base interactions energy: -153.982
where: short stacking energy: -81.717
Base-Backbone interact. energy: -0.004
local terms energy: -74.892486
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -198.222784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.222784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.647091 (E_RNA)
where:
Base-Base interactions energy: -126.801
where: short stacking energy: -65.856
Base-Backbone interact. energy: -0.178
local terms energy: -71.667456
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -17.725
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: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -173.125261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.125261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.243831 (E_RNA)
where:
Base-Base interactions energy: -104.295
where: short stacking energy: -61.769
Base-Backbone interact. energy: -0.005
local terms energy: -68.944356
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -16.739
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: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -170.976337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.976337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.409481 (E_RNA)
where:
Base-Base interactions energy: -102.123
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.896
local terms energy: -68.390676
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.433 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -180.695532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.695532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.775517 (E_RNA)
where:
Base-Base interactions energy: -111.533
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.173
local terms energy: -69.069772
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -11.744
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: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -154.279922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.279922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.663492 (E_RNA)
where:
Base-Base interactions energy: -97.846
where: short stacking energy: -46.965
Base-Backbone interact. energy: -0.394
local terms energy: -56.422814
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -8.092
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -8.726
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: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -149.838050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.838050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.905217 (E_RNA)
where:
Base-Base interactions energy: -90.971
where: short stacking energy: -45.941
Base-Backbone interact. energy: -0.111
local terms energy: -59.823119
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 1.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -141.991555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.991555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.008028 (E_RNA)
where:
Base-Base interactions energy: -89.274
where: short stacking energy: -51.673
Base-Backbone interact. energy: -1.613
local terms energy: -51.120641
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -4.573
tors. eta vs tors. theta energy: -7.976
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: 34
Temperature: 0.900000
Total energy: -246.540894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.540894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.619377 (E_RNA)
where:
Base-Base interactions energy: -162.137
where: short stacking energy: -91.183
Base-Backbone interact. energy: -0.059
local terms energy: -84.423670
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -23.383
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: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -223.850078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.850078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.850078 (E_RNA)
where:
Base-Base interactions energy: -144.323
where: short stacking energy: -75.488
Base-Backbone interact. energy: -0.001
local terms energy: -79.526599
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -23.222
Dist. restrs. and SS energy: 0.000 (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: -233.630559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.630559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.639488 (E_RNA)
where:
Base-Base interactions energy: -154.711
where: short stacking energy: -85.193
Base-Backbone interact. energy: -0.013
local terms energy: -78.915574
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -22.855
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: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -186.427464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.427464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.134750 (E_RNA)
where:
Base-Base interactions energy: -116.173
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.666
local terms energy: -70.295757
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 0.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -190.220355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.220355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.354287 (E_RNA)
where:
Base-Base interactions energy: -131.472
where: short stacking energy: -64.697
Base-Backbone interact. energy: -0.128
local terms energy: -58.754701
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -172.969091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.969091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.969091 (E_RNA)
where:
Base-Base interactions energy: -104.152
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.025
local terms energy: -68.792516
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -13.672
Dist. restrs. and SS energy: 0.000 (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: 34
Temperature: 1.200000
Total energy: -169.401885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.401885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.420429 (E_RNA)
where:
Base-Base interactions energy: -102.621
where: short stacking energy: -61.658
Base-Backbone interact. energy: 0.198
local terms energy: -66.997209
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -12.492
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: 34
Temperature: 1.250000
Total energy: -160.630948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.630948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.912064 (E_RNA)
where:
Base-Base interactions energy: -103.003
where: short stacking energy: -60.599
Base-Backbone interact. energy: -0.485
local terms energy: -57.423852
where:
bonds (distance) C4'-P energy: -7.863
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -160.197206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.197206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.300193 (E_RNA)
where:
Base-Base interactions energy: -95.612
where: short stacking energy: -58.596
Base-Backbone interact. energy: -0.370
local terms energy: -64.318112
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -11.785
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: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -145.537129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.537129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.578234 (E_RNA)
where:
Base-Base interactions energy: -83.075
where: short stacking energy: -44.182
Base-Backbone interact. energy: -0.720
local terms energy: -61.783228
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -6.554
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: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -240.358380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.358380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.483142 (E_RNA)
where:
Base-Base interactions energy: -153.467
where: short stacking energy: -85.535
Base-Backbone interact. energy: -0.014
local terms energy: -87.001895
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -23.017
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -245.957103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.957103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.979279 (E_RNA)
where:
Base-Base interactions energy: -163.904
where: short stacking energy: -84.394
Base-Backbone interact. energy: -0.170
local terms energy: -81.905062
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -22.192
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: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -237.452760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.452760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.452760 (E_RNA)
where:
Base-Base interactions energy: -160.189
where: short stacking energy: -89.872
Base-Backbone interact. energy: -0.074
local terms energy: -77.189539
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (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: 35
Temperature: 1.050000
Total energy: -190.715805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.715805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.915483 (E_RNA)
where:
Base-Base interactions energy: -122.742
where: short stacking energy: -65.055
Base-Backbone interact. energy: -0.471
local terms energy: -67.702850
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -19.094
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: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -178.653540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.653540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.752062 (E_RNA)
where:
Base-Base interactions energy: -107.027
where: short stacking energy: -57.911
Base-Backbone interact. energy: -0.697
local terms energy: -71.027842
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -14.669
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -180.641519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.641519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.076256 (E_RNA)
where:
Base-Base interactions energy: -110.752
where: short stacking energy: -67.068
Base-Backbone interact. energy: -0.233
local terms energy: -71.091458
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 1.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -176.418269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.418269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.612348 (E_RNA)
where:
Base-Base interactions energy: -104.758
where: short stacking energy: -58.907
Base-Backbone interact. energy: -0.118
local terms energy: -71.736146
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -16.665
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: 35
Temperature: 1.250000
Total energy: -193.379789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.379789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.497507 (E_RNA)
where:
Base-Base interactions energy: -129.123
where: short stacking energy: -70.861
Base-Backbone interact. energy: -0.419
local terms energy: -63.955318
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -14.959
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -152.730832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.730832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.107726 (E_RNA)
where:
Base-Base interactions energy: -102.027
where: short stacking energy: -58.323
Base-Backbone interact. energy: 4.300
local terms energy: -55.380585
where:
bonds (distance) C4'-P energy: -6.015
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -11.191
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: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -151.367605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.367605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.570313 (E_RNA)
where:
Base-Base interactions energy: -90.385
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.050
local terms energy: -61.135597
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -9.809
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: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -248.889242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.889242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.890315 (E_RNA)
where:
Base-Base interactions energy: -163.019
where: short stacking energy: -75.930
Base-Backbone interact. energy: -0.003
local terms energy: -85.868879
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -22.783
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: 36
Temperature: 0.950000
Total energy: -238.223941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.223941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.234847 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -84.232
Base-Backbone interact. energy: -0.002
local terms energy: -86.269151
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -21.402
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: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -232.942122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.942122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.092523 (E_RNA)
where:
Base-Base interactions energy: -147.488
where: short stacking energy: -81.431
Base-Backbone interact. energy: -0.034
local terms energy: -85.570225
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -24.158
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: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -193.084631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.084631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.084631 (E_RNA)
where:
Base-Base interactions energy: -117.934
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.080
local terms energy: -75.070853
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: -0.000 (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: 36
Temperature: 1.100000
Total energy: -166.475976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.475976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.475976 (E_RNA)
where:
Base-Base interactions energy: -99.408
where: short stacking energy: -51.010
Base-Backbone interact. energy: -0.292
local terms energy: -66.775680
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 0.000 (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: 36
Temperature: 1.150000
Total energy: -182.100635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.100635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.386130 (E_RNA)
where:
Base-Base interactions energy: -115.872
where: short stacking energy: -67.073
Base-Backbone interact. energy: -0.669
local terms energy: -65.846009
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -12.784
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: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -169.356403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.356403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.371819 (E_RNA)
where:
Base-Base interactions energy: -102.146
where: short stacking energy: -61.112
Base-Backbone interact. energy: 0.707
local terms energy: -67.933781
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -12.026
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: 8, replica: 2
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -164.541829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.541829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.692663 (E_RNA)
where:
Base-Base interactions energy: -102.239
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.070
local terms energy: -62.383706
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -7.902
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: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -160.728222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.728222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.773839 (E_RNA)
where:
Base-Base interactions energy: -100.698
where: short stacking energy: -49.551
Base-Backbone interact. energy: -1.244
local terms energy: -58.831812
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -9.514
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: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -153.275264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.275264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.594281 (E_RNA)
where:
Base-Base interactions energy: -89.126
where: short stacking energy: -53.720
Base-Backbone interact. energy: -0.008
local terms energy: -64.460388
where:
bonds (distance) C4'-P energy: -7.176
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -238.015019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.015019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.015019 (E_RNA)
where:
Base-Base interactions energy: -158.637
where: short stacking energy: -90.288
Base-Backbone interact. energy: -0.008
local terms energy: -79.370289
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -236.291032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.291032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.291032 (E_RNA)
where:
Base-Base interactions energy: -153.628
where: short stacking energy: -87.180
Base-Backbone interact. energy: -0.002
local terms energy: -82.661155
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -26.309
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: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -228.027435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.027435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.027435 (E_RNA)
where:
Base-Base interactions energy: -148.801
where: short stacking energy: -86.670
Base-Backbone interact. energy: -0.009
local terms energy: -79.217309
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -22.099
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: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -189.691480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.691480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.025659 (E_RNA)
where:
Base-Base interactions energy: -118.038
where: short stacking energy: -78.996
Base-Backbone interact. energy: -0.126
local terms energy: -71.861029
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -16.766
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: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -172.335202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.335202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.487519 (E_RNA)
where:
Base-Base interactions energy: -114.103
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.102
local terms energy: -58.282717
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -0.054
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -171.002387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.002387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.041438 (E_RNA)
where:
Base-Base interactions energy: -104.084
where: short stacking energy: -54.719
Base-Backbone interact. energy: -0.081
local terms energy: -66.876435
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -11.284
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: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -174.156733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.156733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.712818 (E_RNA)
where:
Base-Base interactions energy: -110.156
where: short stacking energy: -64.987
Base-Backbone interact. energy: -2.040
local terms energy: -62.516625
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -173.713580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.713580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.090875 (E_RNA)
where:
Base-Base interactions energy: -108.418
where: short stacking energy: -63.213
Base-Backbone interact. energy: -0.139
local terms energy: -65.534110
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -12.569
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: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -148.412269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.412269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.461944 (E_RNA)
where:
Base-Base interactions energy: -88.910
where: short stacking energy: -43.466
Base-Backbone interact. energy: -0.828
local terms energy: -58.723380
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -8.136
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -8.306
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: 37
Temperature: 1.350000
Total energy: -155.757980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.757980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.328669 (E_RNA)
where:
Base-Base interactions energy: -95.351
where: short stacking energy: -59.127
Base-Backbone interact. energy: 1.584
local terms energy: -62.561999
where:
bonds (distance) C4'-P energy: -6.496
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -240.883836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.883836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.883836 (E_RNA)
where:
Base-Base interactions energy: -158.027
where: short stacking energy: -92.485
Base-Backbone interact. energy: -1.094
local terms energy: -81.763380
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -24.228
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: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -234.998039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.998039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.060092 (E_RNA)
where:
Base-Base interactions energy: -156.990
where: short stacking energy: -83.960
Base-Backbone interact. energy: -0.015
local terms energy: -78.054625
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -20.830
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -193.360300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.360300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.309369 (E_RNA)
where:
Base-Base interactions energy: -124.320
where: short stacking energy: -68.355
Base-Backbone interact. energy: -0.088
local terms energy: -70.900577
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -17.214
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -217.964082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.964082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.017873 (E_RNA)
where:
Base-Base interactions energy: -142.694
where: short stacking energy: -80.657
Base-Backbone interact. energy: -0.290
local terms energy: -75.034069
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -21.583
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: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -204.583512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.583512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.469010 (E_RNA)
where:
Base-Base interactions energy: -133.925
where: short stacking energy: -74.356
Base-Backbone interact. energy: -0.000
local terms energy: -71.543735
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -17.067
Dist. restrs. and SS energy: 0.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -178.962904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.962904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.003168 (E_RNA)
where:
Base-Base interactions energy: -108.244
where: short stacking energy: -67.872
Base-Backbone interact. energy: -0.023
local terms energy: -70.736053
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -20.899
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: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -172.111801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.111801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.261867 (E_RNA)
where:
Base-Base interactions energy: -101.405
where: short stacking energy: -64.091
Base-Backbone interact. energy: -0.032
local terms energy: -70.825311
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -13.817
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: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -173.524736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.524736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.528368 (E_RNA)
where:
Base-Base interactions energy: -106.742
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.024
local terms energy: -66.761908
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -14.084
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: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -168.251584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.251584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.296150 (E_RNA)
where:
Base-Base interactions energy: -97.455
where: short stacking energy: -62.243
Base-Backbone interact. energy: 0.562
local terms energy: -71.403513
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -12.946
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: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -153.414623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.414623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.350667 (E_RNA)
where:
Base-Base interactions energy: -98.295
where: short stacking energy: -52.610
Base-Backbone interact. energy: 0.851
local terms energy: -57.907119
where:
bonds (distance) C4'-P energy: -9.084
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 1.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -235.358477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.358477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.361374 (E_RNA)
where:
Base-Base interactions energy: -156.126
where: short stacking energy: -85.998
Base-Backbone interact. energy: -0.051
local terms energy: -79.184984
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -21.528
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: 39
Temperature: 0.950000
Total energy: -227.032955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.032955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.588049 (E_RNA)
where:
Base-Base interactions energy: -149.850
where: short stacking energy: -67.547
Base-Backbone interact. energy: -0.905
local terms energy: -76.832634
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -198.770810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.770810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.570806 (E_RNA)
where:
Base-Base interactions energy: -129.071
where: short stacking energy: -71.515
Base-Backbone interact. energy: -0.104
local terms energy: -70.395882
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -201.543370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.543370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.731338 (E_RNA)
where:
Base-Base interactions energy: -130.272
where: short stacking energy: -72.057
Base-Backbone interact. energy: -0.008
local terms energy: -71.451916
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -191.815305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.815305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.594141 (E_RNA)
where:
Base-Base interactions energy: -126.495
where: short stacking energy: -69.193
Base-Backbone interact. energy: -0.099
local terms energy: -65.999930
where:
bonds (distance) C4'-P energy: -8.230
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -171.228060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.228060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.050663 (E_RNA)
where:
Base-Base interactions energy: -107.794
where: short stacking energy: -66.461
Base-Backbone interact. energy: 0.473
local terms energy: -64.729946
where:
bonds (distance) C4'-P energy: -6.651
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -185.809747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.809747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.192432 (E_RNA)
where:
Base-Base interactions energy: -118.880
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.019
local terms energy: -67.293195
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -164.109461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.109461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.347561 (E_RNA)
where:
Base-Base interactions energy: -105.153
where: short stacking energy: -62.317
Base-Backbone interact. energy: -1.064
local terms energy: -59.130880
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -10.431
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -13.034
Dist. restrs. and SS energy: 1.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -162.836784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.836784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.836784 (E_RNA)
where:
Base-Base interactions energy: -104.542
where: short stacking energy: -58.619
Base-Backbone interact. energy: -0.151
local terms energy: -58.144210
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: -0.000 (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: 39
Temperature: 1.350000
Total energy: -121.501531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.501531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.967593 (E_RNA)
where:
Base-Base interactions energy: -73.512
where: short stacking energy: -41.861
Base-Backbone interact. energy: -0.235
local terms energy: -48.220961
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -3.618
Dist. restrs. and SS energy: 0.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -237.324078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.324078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.439235 (E_RNA)
where:
Base-Base interactions energy: -155.130
where: short stacking energy: -88.926
Base-Backbone interact. energy: -0.190
local terms energy: -82.119372
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -22.563
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: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -235.328819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.328819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.663098 (E_RNA)
where:
Base-Base interactions energy: -152.291
where: short stacking energy: -83.743
Base-Backbone interact. energy: -0.116
local terms energy: -84.255780
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -23.897
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -187.196103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.196103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.198564 (E_RNA)
where:
Base-Base interactions energy: -111.228
where: short stacking energy: -69.024
Base-Backbone interact. energy: 0.110
local terms energy: -76.080662
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -18.222
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: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -191.389011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.389011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.445027 (E_RNA)
where:
Base-Base interactions energy: -124.985
where: short stacking energy: -72.686
Base-Backbone interact. energy: -0.007
local terms energy: -66.453492
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -17.149
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: 40
Temperature: 1.100000
Total energy: -188.323263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.323263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.327183 (E_RNA)
where:
Base-Base interactions energy: -111.272
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.219
local terms energy: -76.835903
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -17.025
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: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -185.205222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.205222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.643962 (E_RNA)
where:
Base-Base interactions energy: -115.040
where: short stacking energy: -54.211
Base-Backbone interact. energy: -0.518
local terms energy: -70.085416
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -179.497452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.497452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.561263 (E_RNA)
where:
Base-Base interactions energy: -112.814
where: short stacking energy: -62.395
Base-Backbone interact. energy: -0.515
local terms energy: -66.232917
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -13.415
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -175.472641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.472641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.497804 (E_RNA)
where:
Base-Base interactions energy: -110.189
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.315
local terms energy: -64.994164
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -14.343
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: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -150.034576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.034576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.115423 (E_RNA)
where:
Base-Base interactions energy: -89.241
where: short stacking energy: -47.635
Base-Backbone interact. energy: -0.228
local terms energy: -60.646746
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -12.381
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: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -169.502143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.502143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.718582 (E_RNA)
where:
Base-Base interactions energy: -98.575
where: short stacking energy: -61.190
Base-Backbone interact. energy: -0.192
local terms energy: -70.952279
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -231.670333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.670333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.756820 (E_RNA)
where:
Base-Base interactions energy: -155.708
where: short stacking energy: -80.396
Base-Backbone interact. energy: -0.012
local terms energy: -77.036576
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 1.086 (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: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -228.099857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.099857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.585317 (E_RNA)
where:
Base-Base interactions energy: -145.980
where: short stacking energy: -72.551
Base-Backbone interact. energy: -0.033
local terms energy: -82.572967
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -22.328
Dist. restrs. and SS energy: 0.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -180.956778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.956778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.463075 (E_RNA)
where:
Base-Base interactions energy: -110.411
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.010
local terms energy: -71.042304
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -15.526
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: 4, replica: 4
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -224.016217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.016217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.471380 (E_RNA)
where:
Base-Base interactions energy: -138.755
where: short stacking energy: -75.143
Base-Backbone interact. energy: -0.001
local terms energy: -85.715262
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -22.747
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: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -179.169776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.169776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.305693 (E_RNA)
where:
Base-Base interactions energy: -109.003
where: short stacking energy: -62.122
Base-Backbone interact. energy: -0.140
local terms energy: -70.162359
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -178.577858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.577858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.709764 (E_RNA)
where:
Base-Base interactions energy: -104.836
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.191
local terms energy: -73.683106
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -18.388
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: 41
Temperature: 1.200000
Total energy: -182.560732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.560732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.123649 (E_RNA)
where:
Base-Base interactions energy: -118.396
where: short stacking energy: -62.496
Base-Backbone interact. energy: -0.028
local terms energy: -64.700103
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -159.892429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.892429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.500489 (E_RNA)
where:
Base-Base interactions energy: -104.735
where: short stacking energy: -60.020
Base-Backbone interact. energy: 0.077
local terms energy: -55.842397
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -153.979635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.979635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.854328 (E_RNA)
where:
Base-Base interactions energy: -94.930
where: short stacking energy: -51.575
Base-Backbone interact. energy: -1.040
local terms energy: -58.883994
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -10.354
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.875 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -158.104266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.104266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.104266 (E_RNA)
where:
Base-Base interactions energy: -92.593
where: short stacking energy: -53.133
Base-Backbone interact. energy: -0.114
local terms energy: -65.396638
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: -0.000 (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: 42
Temperature: 0.900000
Total energy: -243.065945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.065945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.085394 (E_RNA)
where:
Base-Base interactions energy: -159.858
where: short stacking energy: -83.438
Base-Backbone interact. energy: -0.007
local terms energy: -83.219897
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -22.708
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: 42
Temperature: 0.950000
Total energy: -234.668687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.668687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.736811 (E_RNA)
where:
Base-Base interactions energy: -155.444
where: short stacking energy: -88.610
Base-Backbone interact. energy: -0.094
local terms energy: -79.198600
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -23.414
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: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -221.211823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.211823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.305773 (E_RNA)
where:
Base-Base interactions energy: -144.458
where: short stacking energy: -74.901
Base-Backbone interact. energy: -0.431
local terms energy: -77.416628
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 1.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -181.449044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.449044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.523557 (E_RNA)
where:
Base-Base interactions energy: -106.076
where: short stacking energy: -62.487
Base-Backbone interact. energy: -0.020
local terms energy: -75.427810
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -14.376
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: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -170.175711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.175711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.184212 (E_RNA)
where:
Base-Base interactions energy: -104.706
where: short stacking energy: -44.284
Base-Backbone interact. energy: -1.067
local terms energy: -64.410902
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -4.113
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: 42
Temperature: 1.150000
Total energy: -195.501701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.501701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.532046 (E_RNA)
where:
Base-Base interactions energy: -133.225
where: short stacking energy: -63.768
Base-Backbone interact. energy: -0.065
local terms energy: -62.241905
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -15.016
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: 42
Temperature: 1.200000
Total energy: -175.247063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.247063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.048292 (E_RNA)
where:
Base-Base interactions energy: -107.784
where: short stacking energy: -58.399
Base-Backbone interact. energy: -0.418
local terms energy: -67.846667
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -167.356314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.356314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.427713 (E_RNA)
where:
Base-Base interactions energy: -106.910
where: short stacking energy: -58.156
Base-Backbone interact. energy: -0.007
local terms energy: -60.510870
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -15.468
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: 42
Temperature: 1.300000
Total energy: -154.656534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.656534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.661380 (E_RNA)
where:
Base-Base interactions energy: -84.509
where: short stacking energy: -50.541
Base-Backbone interact. energy: -0.007
local terms energy: -70.144968
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -14.527
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: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -145.112416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.112416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.824950 (E_RNA)
where:
Base-Base interactions energy: -84.269
where: short stacking energy: -45.053
Base-Backbone interact. energy: -0.117
local terms energy: -61.439129
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -242.178732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.178732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.895185 (E_RNA)
where:
Base-Base interactions energy: -163.062
where: short stacking energy: -86.020
Base-Backbone interact. energy: -0.003
local terms energy: -79.829400
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -21.090
Dist. restrs. and SS energy: 0.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -239.185233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.185233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.234130 (E_RNA)
where:
Base-Base interactions energy: -155.920
where: short stacking energy: -85.906
Base-Backbone interact. energy: -0.003
local terms energy: -83.311963
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -21.997
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: 43
Temperature: 1.000000
Total energy: -203.945970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.945970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.052702 (E_RNA)
where:
Base-Base interactions energy: -130.297
where: short stacking energy: -72.952
Base-Backbone interact. energy: -0.170
local terms energy: -74.586313
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -177.739846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.739846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.739846 (E_RNA)
where:
Base-Base interactions energy: -115.800
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.395
local terms energy: -61.544732
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -12.510
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: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -177.431828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.431828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.432904 (E_RNA)
where:
Base-Base interactions energy: -101.908
where: short stacking energy: -61.479
Base-Backbone interact. energy: -0.412
local terms energy: -75.113421
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -13.681
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: 43
Temperature: 1.150000
Total energy: -183.820340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.820340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.235968 (E_RNA)
where:
Base-Base interactions energy: -111.852
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.046
local terms energy: -73.337861
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 1.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -191.192446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.270408 (E_RNA)
where:
Base-Base interactions energy: -124.452
where: short stacking energy: -71.851
Base-Backbone interact. energy: -0.241
local terms energy: -66.578176
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -18.472
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: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -166.137111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.137111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.249888 (E_RNA)
where:
Base-Base interactions energy: -107.324
where: short stacking energy: -61.416
Base-Backbone interact. energy: -0.559
local terms energy: -58.366555
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -9.219
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: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -162.436034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.436034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.504411 (E_RNA)
where:
Base-Base interactions energy: -101.478
where: short stacking energy: -59.904
Base-Backbone interact. energy: -0.045
local terms energy: -60.981326
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -12.454
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: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -149.009132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.009132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.072276 (E_RNA)
where:
Base-Base interactions energy: -98.718
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.087
local terms energy: -50.267066
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -10.199
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: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -239.516088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.516088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.169882 (E_RNA)
where:
Base-Base interactions energy: -160.427
where: short stacking energy: -83.458
Base-Backbone interact. energy: -0.750
local terms energy: -79.992702
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -21.936
Dist. restrs. and SS energy: 1.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -235.401671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.401671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.618675 (E_RNA)
where:
Base-Base interactions energy: -152.788
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.013
local terms energy: -83.818270
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 1.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -210.664105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.664105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.807471 (E_RNA)
where:
Base-Base interactions energy: -131.187
where: short stacking energy: -73.972
Base-Backbone interact. energy: -0.004
local terms energy: -79.615740
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -20.636
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: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -184.164879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.164879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.183625 (E_RNA)
where:
Base-Base interactions energy: -120.312
where: short stacking energy: -53.998
Base-Backbone interact. energy: -0.209
local terms energy: -63.662851
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -12.230
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: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -175.699268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.699268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.903576 (E_RNA)
where:
Base-Base interactions energy: -111.272
where: short stacking energy: -62.386
Base-Backbone interact. energy: -0.456
local terms energy: -64.174688
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -174.066486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.066486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.674460 (E_RNA)
where:
Base-Base interactions energy: -110.732
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.304
local terms energy: -63.638521
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -160.269809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.269809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.311776 (E_RNA)
where:
Base-Base interactions energy: -95.904
where: short stacking energy: -49.581
Base-Backbone interact. energy: -0.265
local terms energy: -64.143063
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -10.298
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: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -154.279239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.279239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.311072 (E_RNA)
where:
Base-Base interactions energy: -96.277
where: short stacking energy: -47.997
Base-Backbone interact. energy: -0.187
local terms energy: -57.847759
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -9.962
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -152.805153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.805153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.940001 (E_RNA)
where:
Base-Base interactions energy: -97.929
where: short stacking energy: -58.883
Base-Backbone interact. energy: -0.161
local terms energy: -54.849558
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -12.966
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: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -151.757150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.757150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.824263 (E_RNA)
where:
Base-Base interactions energy: -97.830
where: short stacking energy: -45.340
Base-Backbone interact. energy: -0.447
local terms energy: -53.547266
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -9.448
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -8.663
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: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -229.315474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.315474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.077903 (E_RNA)
where:
Base-Base interactions energy: -147.633
where: short stacking energy: -77.521
Base-Backbone interact. energy: 2.783
local terms energy: -85.228477
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -21.067
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: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -227.891761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.891761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.493843 (E_RNA)
where:
Base-Base interactions energy: -151.102
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.386
local terms energy: -77.006022
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -210.800898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.800898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.801141 (E_RNA)
where:
Base-Base interactions energy: -132.199
where: short stacking energy: -71.040
Base-Backbone interact. energy: -0.006
local terms energy: -78.596346
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -19.458
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: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -187.759041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.759041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.798961 (E_RNA)
where:
Base-Base interactions energy: -117.014
where: short stacking energy: -67.404
Base-Backbone interact. energy: -0.054
local terms energy: -70.730732
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -16.177
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: 45
Temperature: 1.100000
Total energy: -171.709594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.709594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.782525 (E_RNA)
where:
Base-Base interactions energy: -101.767
where: short stacking energy: -54.615
Base-Backbone interact. energy: -0.212
local terms energy: -69.803753
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -14.052
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: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -168.651983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.651983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.697897 (E_RNA)
where:
Base-Base interactions energy: -101.048
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.099
local terms energy: -67.551133
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -15.926
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: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -168.123799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.123799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.153475 (E_RNA)
where:
Base-Base interactions energy: -101.792
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.002
local terms energy: -66.359218
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -14.671
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: 45
Temperature: 1.250000
Total energy: -160.431549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.431549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.477747 (E_RNA)
where:
Base-Base interactions energy: -103.680
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.189
local terms energy: -56.609200
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -7.059
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: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -158.196747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.196747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.202120 (E_RNA)
where:
Base-Base interactions energy: -103.817
where: short stacking energy: -43.417
Base-Backbone interact. energy: 0.084
local terms energy: -54.468554
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -9.940
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: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -152.439814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.439814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.952228 (E_RNA)
where:
Base-Base interactions energy: -94.932
where: short stacking energy: -49.508
Base-Backbone interact. energy: -0.445
local terms energy: -57.575973
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -240.355007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.355007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.408825 (E_RNA)
where:
Base-Base interactions energy: -159.358
where: short stacking energy: -91.299
Base-Backbone interact. energy: -0.001
local terms energy: -81.049821
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -21.838
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: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -219.394092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.394092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.426490 (E_RNA)
where:
Base-Base interactions energy: -131.875
where: short stacking energy: -79.291
Base-Backbone interact. energy: -0.003
local terms energy: -87.548155
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -21.301
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: 46
Temperature: 1.000000
Total energy: -239.756331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.756331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.809948 (E_RNA)
where:
Base-Base interactions energy: -154.032
where: short stacking energy: -87.433
Base-Backbone interact. energy: -0.009
local terms energy: -85.769097
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -24.507
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -203.454710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.454710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.855874 (E_RNA)
where:
Base-Base interactions energy: -128.717
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.002
local terms energy: -76.136062
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -188.801086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.801086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.811033 (E_RNA)
where:
Base-Base interactions energy: -119.133
where: short stacking energy: -72.680
Base-Backbone interact. energy: -0.392
local terms energy: -69.285864
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -19.274
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -177.910418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.910418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.939278 (E_RNA)
where:
Base-Base interactions energy: -109.708
where: short stacking energy: -63.873
Base-Backbone interact. energy: -0.889
local terms energy: -67.341667
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -18.176
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: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -186.031039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.031039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.147048 (E_RNA)
where:
Base-Base interactions energy: -124.345
where: short stacking energy: -56.724
Base-Backbone interact. energy: -0.663
local terms energy: -61.139273
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -4.005
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: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -158.246117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.246117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.257780 (E_RNA)
where:
Base-Base interactions energy: -89.365
where: short stacking energy: -49.104
Base-Backbone interact. energy: 0.225
local terms energy: -69.118213
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -11.696
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: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -159.188330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.188330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.193258 (E_RNA)
where:
Base-Base interactions energy: -103.613
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.132
local terms energy: -55.448044
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -8.060
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: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -158.445138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.445138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.453517 (E_RNA)
where:
Base-Base interactions energy: -98.653
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.324
local terms energy: -59.476535
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -12.813
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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -243.712461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.712461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.829370 (E_RNA)
where:
Base-Base interactions energy: -157.221
where: short stacking energy: -87.571
Base-Backbone interact. energy: -0.569
local terms energy: -86.039167
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -235.942873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.942873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.986204 (E_RNA)
where:
Base-Base interactions energy: -151.723
where: short stacking energy: -90.775
Base-Backbone interact. energy: -0.026
local terms energy: -84.237287
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -25.203
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: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -223.671699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.671699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.925508 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -72.518
Base-Backbone interact. energy: -0.833
local terms energy: -77.094167
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -19.650
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -185.091243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.091243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.321476 (E_RNA)
where:
Base-Base interactions energy: -110.333
where: short stacking energy: -69.471
Base-Backbone interact. energy: -0.009
local terms energy: -74.979390
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -207.396137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.396137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.348554 (E_RNA)
where:
Base-Base interactions energy: -132.794
where: short stacking energy: -74.137
Base-Backbone interact. energy: -0.012
local terms energy: -75.542562
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.952 (S_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: 47
Temperature: 1.150000
Total energy: -178.216330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.216330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.216330 (E_RNA)
where:
Base-Base interactions energy: -115.471
where: short stacking energy: -53.173
Base-Backbone interact. energy: 0.067
local terms energy: -62.812690
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -11.536
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: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -164.162446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.162446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.247696 (E_RNA)
where:
Base-Base interactions energy: -97.946
where: short stacking energy: -55.028
Base-Backbone interact. energy: -0.062
local terms energy: -66.239428
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -13.469
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: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -166.264591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.264591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.264591 (E_RNA)
where:
Base-Base interactions energy: -106.293
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.148
local terms energy: -59.822817
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: -0.000 (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: 47
Temperature: 1.300000
Total energy: -146.413296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.413296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.525415 (E_RNA)
where:
Base-Base interactions energy: -86.547
where: short stacking energy: -48.278
Base-Backbone interact. energy: -0.054
local terms energy: -59.924984
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -7.162
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -160.571204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.571204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.586333 (E_RNA)
where:
Base-Base interactions energy: -99.575
where: short stacking energy: -55.131
Base-Backbone interact. energy: -0.445
local terms energy: -60.566247
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -11.711
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: 48
Temperature: 0.900000
Total energy: -239.379263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.379263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.441189 (E_RNA)
where:
Base-Base interactions energy: -152.909
where: short stacking energy: -87.590
Base-Backbone interact. energy: -0.029
local terms energy: -86.502197
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -21.547
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: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -235.418146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.418146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.334841 (E_RNA)
where:
Base-Base interactions energy: -154.696
where: short stacking energy: -86.241
Base-Backbone interact. energy: -0.000
local terms energy: -81.637955
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -229.398672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.398672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.474548 (E_RNA)
where:
Base-Base interactions energy: -152.395
where: short stacking energy: -76.981
Base-Backbone interact. energy: -1.419
local terms energy: -75.660824
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -19.848
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: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -208.436532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.436532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.689824 (E_RNA)
where:
Base-Base interactions energy: -132.459
where: short stacking energy: -74.376
Base-Backbone interact. energy: -1.098
local terms energy: -76.132908
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -182.799010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.799010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.799010 (E_RNA)
where:
Base-Base interactions energy: -108.539
where: short stacking energy: -56.999
Base-Backbone interact. energy: -1.024
local terms energy: -73.235437
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -12.267
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: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -185.884386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.884386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.521580 (E_RNA)
where:
Base-Base interactions energy: -113.656
where: short stacking energy: -62.533
Base-Backbone interact. energy: -0.590
local terms energy: -72.275927
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -169.005122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.005122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.229988 (E_RNA)
where:
Base-Base interactions energy: -91.912
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.673
local terms energy: -76.644557
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -14.605
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: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -156.490508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.490508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.603738 (E_RNA)
where:
Base-Base interactions energy: -101.492
where: short stacking energy: -51.847
Base-Backbone interact. energy: 0.925
local terms energy: -56.036309
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -151.205602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.205602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.379345 (E_RNA)
where:
Base-Base interactions energy: -89.762
where: short stacking energy: -48.145
Base-Backbone interact. energy: 0.455
local terms energy: -62.072654
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -11.349
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -163.317156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.317156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.394311 (E_RNA)
where:
Base-Base interactions energy: -98.397
where: short stacking energy: -59.362
Base-Backbone interact. energy: -0.069
local terms energy: -64.928557
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -13.302
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: 49
Temperature: 0.900000
Total energy: -244.398027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.398027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.512916 (E_RNA)
where:
Base-Base interactions energy: -155.102
where: short stacking energy: -89.791
Base-Backbone interact. energy: -0.064
local terms energy: -89.347686
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -15.999
tors. eta vs tors. theta energy: -23.479
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: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -228.981689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.981689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.036651 (E_RNA)
where:
Base-Base interactions energy: -152.813
where: short stacking energy: -76.621
Base-Backbone interact. energy: -0.443
local terms energy: -75.781283
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -20.422
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: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -226.556935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.556935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.364409 (E_RNA)
where:
Base-Base interactions energy: -155.841
where: short stacking energy: -83.664
Base-Backbone interact. energy: -0.021
local terms energy: -71.502663
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 0.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -189.177586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.177586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.694348 (E_RNA)
where:
Base-Base interactions energy: -115.069
where: short stacking energy: -65.981
Base-Backbone interact. energy: -0.067
local terms energy: -75.559125
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 1.517 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -181.162437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.162437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.206800 (E_RNA)
where:
Base-Base interactions energy: -109.309
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.756
local terms energy: -72.142733
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 1.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -199.588411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.588411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.612359 (E_RNA)
where:
Base-Base interactions energy: -123.635
where: short stacking energy: -68.472
Base-Backbone interact. energy: -1.207
local terms energy: -74.770535
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -18.270
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: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -165.888969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.888969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.922321 (E_RNA)
where:
Base-Base interactions energy: -97.866
where: short stacking energy: -52.593
Base-Backbone interact. energy: -1.032
local terms energy: -67.024354
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -10.829
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: 49
Temperature: 1.250000
Total energy: -172.915728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.915728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.075612 (E_RNA)
where:
Base-Base interactions energy: -108.579
where: short stacking energy: -51.371
Base-Backbone interact. energy: -0.219
local terms energy: -64.277203
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -12.038
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: 9, replica: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -155.299931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.299931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.395026 (E_RNA)
where:
Base-Base interactions energy: -93.874
where: short stacking energy: -54.941
Base-Backbone interact. energy: -0.115
local terms energy: -61.405485
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -14.097
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: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -145.424775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.424775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.539991 (E_RNA)
where:
Base-Base interactions energy: -88.250
where: short stacking energy: -48.594
Base-Backbone interact. energy: 0.208
local terms energy: -57.497275
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -16.447
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -9.511
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: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -239.769508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.769508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.785274 (E_RNA)
where:
Base-Base interactions energy: -156.138
where: short stacking energy: -81.537
Base-Backbone interact. energy: -0.049
local terms energy: -84.598495
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -22.719
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -236.250460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.250460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.432192 (E_RNA)
where:
Base-Base interactions energy: -156.006
where: short stacking energy: -89.683
Base-Backbone interact. energy: -0.085
local terms energy: -80.340719
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -202.644193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.644193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.422729 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -80.221
Base-Backbone interact. energy: -0.047
local terms energy: -77.197934
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 1.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -193.649354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.649354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.679300 (E_RNA)
where:
Base-Base interactions energy: -127.411
where: short stacking energy: -55.196
Base-Backbone interact. energy: -0.360
local terms energy: -65.907616
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -13.070
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: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -191.695794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.695794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.928110 (E_RNA)
where:
Base-Base interactions energy: -114.568
where: short stacking energy: -69.679
Base-Backbone interact. energy: -0.002
local terms energy: -77.358167
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -185.491526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.491526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.846819 (E_RNA)
where:
Base-Base interactions energy: -124.362
where: short stacking energy: -71.432
Base-Backbone interact. energy: -0.079
local terms energy: -62.405192
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -173.157976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.157976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.157976 (E_RNA)
where:
Base-Base interactions energy: -103.645
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.625
local terms energy: -68.887849
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -16.069
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: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -169.072459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.072459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.072459 (E_RNA)
where:
Base-Base interactions energy: -104.954
where: short stacking energy: -66.342
Base-Backbone interact. energy: 3.716
local terms energy: -67.834411
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -12.242
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: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -153.160388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.160388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.208734 (E_RNA)
where:
Base-Base interactions energy: -94.889
where: short stacking energy: -52.787
Base-Backbone interact. energy: -0.031
local terms energy: -58.288826
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -6.705
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: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -152.456571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.456571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.658766 (E_RNA)
where:
Base-Base interactions energy: -97.168
where: short stacking energy: -54.037
Base-Backbone interact. energy: -0.097
local terms energy: -55.393908
where:
bonds (distance) C4'-P energy: -9.108
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -13.360
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: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -239.731045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.731045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.836250 (E_RNA)
where:
Base-Base interactions energy: -154.263
where: short stacking energy: -83.040
Base-Backbone interact. energy: -0.085
local terms energy: -86.488151
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -21.642
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -212.189493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.189493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.791721 (E_RNA)
where:
Base-Base interactions energy: -134.026
where: short stacking energy: -74.665
Base-Backbone interact. energy: -0.000
local terms energy: -78.765563
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -19.843
Dist. restrs. and SS energy: 0.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -227.750293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.750293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.750293 (E_RNA)
where:
Base-Base interactions energy: -151.839
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.032
local terms energy: -75.879893
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -17.008
Dist. restrs. and SS energy: 0.000 (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: 51
Temperature: 1.050000
Total energy: -195.725611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.725611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.839896 (E_RNA)
where:
Base-Base interactions energy: -126.543
where: short stacking energy: -72.662
Base-Backbone interact. energy: 0.644
local terms energy: -69.941053
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -195.221150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.221150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.235263 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -70.282
Base-Backbone interact. energy: -0.007
local terms energy: -70.375954
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -18.978
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: 6
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -182.506539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.506539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.562128 (E_RNA)
where:
Base-Base interactions energy: -109.442
where: short stacking energy: -62.655
Base-Backbone interact. energy: -0.181
local terms energy: -72.939640
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -17.083
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: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -163.070466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.070466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.207821 (E_RNA)
where:
Base-Base interactions energy: -100.132
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.083
local terms energy: -62.992557
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -11.572
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -9.848
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: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -169.290732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.290732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.344464 (E_RNA)
where:
Base-Base interactions energy: -103.941
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.031
local terms energy: -65.372268
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -13.346
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: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -159.779296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.779296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.810225 (E_RNA)
where:
Base-Base interactions energy: -99.097
where: short stacking energy: -56.620
Base-Backbone interact. energy: -0.421
local terms energy: -60.292373
where:
bonds (distance) C4'-P energy: -6.340
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -18.012
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: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -143.995521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.995521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.392779 (E_RNA)
where:
Base-Base interactions energy: -90.873
where: short stacking energy: -44.392
Base-Backbone interact. energy: -0.491
local terms energy: -53.028756
where:
bonds (distance) C4'-P energy: -6.583
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -9.245
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: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -243.953364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.953364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.098405 (E_RNA)
where:
Base-Base interactions energy: -167.031
where: short stacking energy: -81.314
Base-Backbone interact. energy: -0.525
local terms energy: -76.542966
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -21.780
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: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -228.786988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.786988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.540925 (E_RNA)
where:
Base-Base interactions energy: -149.386
where: short stacking energy: -72.109
Base-Backbone interact. energy: -0.028
local terms energy: -80.127027
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -14.840
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -208.920277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.920277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.375759 (E_RNA)
where:
Base-Base interactions energy: -141.727
where: short stacking energy: -56.523
Base-Backbone interact. energy: -0.371
local terms energy: -67.277500
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -14.266
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: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -242.354797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.354797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.354797 (E_RNA)
where:
Base-Base interactions energy: -156.191
where: short stacking energy: -87.431
Base-Backbone interact. energy: -0.013
local terms energy: -86.150857
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.000 (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: 52
Temperature: 1.100000
Total energy: -218.523677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.523677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.539123 (E_RNA)
where:
Base-Base interactions energy: -141.903
where: short stacking energy: -67.818
Base-Backbone interact. energy: -0.014
local terms energy: -77.621976
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 1.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -169.423157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.423157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.591563 (E_RNA)
where:
Base-Base interactions energy: -102.213
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.007
local terms energy: -67.371413
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -16.348
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: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -160.971253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.971253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.159874 (E_RNA)
where:
Base-Base interactions energy: -100.492
where: short stacking energy: -54.541
Base-Backbone interact. energy: 0.013
local terms energy: -60.681327
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -12.962
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: 52
Temperature: 1.250000
Total energy: -161.901618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.901618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.961618 (E_RNA)
where:
Base-Base interactions energy: -93.296
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.538
local terms energy: -68.127191
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -11.742
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: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -165.164988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.164988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.337579 (E_RNA)
where:
Base-Base interactions energy: -103.981
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.036
local terms energy: -61.320422
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -13.216
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: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -146.604195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.604195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.741138 (E_RNA)
where:
Base-Base interactions energy: -96.701
where: short stacking energy: -48.307
Base-Backbone interact. energy: -0.080
local terms energy: -49.959671
where:
bonds (distance) C4'-P energy: -7.409
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -5.589
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: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -239.968702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.968702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.668467 (E_RNA)
where:
Base-Base interactions energy: -157.279
where: short stacking energy: -80.108
Base-Backbone interact. energy: -0.002
local terms energy: -83.387632
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -230.146558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.146558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.234303 (E_RNA)
where:
Base-Base interactions energy: -143.709
where: short stacking energy: -75.473
Base-Backbone interact. energy: -0.002
local terms energy: -86.523103
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -20.696
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: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -222.535342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.535342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.337364 (E_RNA)
where:
Base-Base interactions energy: -142.544
where: short stacking energy: -78.628
Base-Backbone interact. energy: -0.001
local terms energy: -80.792134
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.802 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -217.387363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.387363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.450492 (E_RNA)
where:
Base-Base interactions energy: -137.511
where: short stacking energy: -73.116
Base-Backbone interact. energy: -0.077
local terms energy: -81.862545
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 2.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -207.976906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.976906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.022943 (E_RNA)
where:
Base-Base interactions energy: -142.187
where: short stacking energy: -72.692
Base-Backbone interact. energy: -0.279
local terms energy: -66.556433
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -16.103
Dist. restrs. and SS energy: 1.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -163.848434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.848434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.012983 (E_RNA)
where:
Base-Base interactions energy: -108.035
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.490
local terms energy: -55.488242
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -12.010
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -171.419403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.419403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.419403 (E_RNA)
where:
Base-Base interactions energy: -106.058
where: short stacking energy: -56.988
Base-Backbone interact. energy: -0.282
local terms energy: -65.078850
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: -0.000 (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: 53
Temperature: 1.250000
Total energy: -160.552943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.552943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.606713 (E_RNA)
where:
Base-Base interactions energy: -98.111
where: short stacking energy: -58.296
Base-Backbone interact. energy: -0.033
local terms energy: -62.462092
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -12.341
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: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -148.551656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.551656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.657293 (E_RNA)
where:
Base-Base interactions energy: -99.047
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.072
local terms energy: -49.537385
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -6.517
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -10.995
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -152.411488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.411488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.487095 (E_RNA)
where:
Base-Base interactions energy: -95.786
where: short stacking energy: -50.881
Base-Backbone interact. energy: -0.536
local terms energy: -56.165292
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -11.134
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: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -232.309587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.309587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.204715 (E_RNA)
where:
Base-Base interactions energy: -148.647
where: short stacking energy: -83.682
Base-Backbone interact. energy: -0.000
local terms energy: -84.557899
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -230.664966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.664966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.791171 (E_RNA)
where:
Base-Base interactions energy: -148.852
where: short stacking energy: -79.439
Base-Backbone interact. energy: -0.766
local terms energy: -82.173036
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 1.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -229.276595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.276595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.615174 (E_RNA)
where:
Base-Base interactions energy: -148.859
where: short stacking energy: -83.808
Base-Backbone interact. energy: -0.092
local terms energy: -81.663293
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -24.166
Dist. restrs. and SS energy: 1.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -219.081683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.081683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.181437 (E_RNA)
where:
Base-Base interactions energy: -149.800
where: short stacking energy: -80.137
Base-Backbone interact. energy: -0.603
local terms energy: -68.778261
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -8.701
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -19.423
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: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -179.833969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.833969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.962439 (E_RNA)
where:
Base-Base interactions energy: -107.437
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.052
local terms energy: -72.472840
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -191.307478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.307478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.458046 (E_RNA)
where:
Base-Base interactions energy: -120.148
where: short stacking energy: -67.190
Base-Backbone interact. energy: -0.009
local terms energy: -71.301359
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -174.006766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.006766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.886679 (E_RNA)
where:
Base-Base interactions energy: -114.181
where: short stacking energy: -63.960
Base-Backbone interact. energy: -0.086
local terms energy: -60.619762
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -7.672
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -191.575459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.575459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.467325 (E_RNA)
where:
Base-Base interactions energy: -125.326
where: short stacking energy: -59.622
Base-Backbone interact. energy: -0.068
local terms energy: -67.073237
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -155.597467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.597467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.829309 (E_RNA)
where:
Base-Base interactions energy: -99.135
where: short stacking energy: -58.984
Base-Backbone interact. energy: -0.037
local terms energy: -56.656964
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.232 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -157.405817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.405817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.454627 (E_RNA)
where:
Base-Base interactions energy: -99.267
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.085
local terms energy: -58.102538
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -12.786
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: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -234.136551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.136551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.744706 (E_RNA)
where:
Base-Base interactions energy: -151.728
where: short stacking energy: -85.381
Base-Backbone interact. energy: -0.000
local terms energy: -83.015754
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -21.732
Dist. restrs. and SS energy: 0.608 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -234.054923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.054923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.054923 (E_RNA)
where:
Base-Base interactions energy: -152.855
where: short stacking energy: -80.935
Base-Backbone interact. energy: -0.001
local terms energy: -81.197977
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.000 (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: 55
Temperature: 1.000000
Total energy: -220.047666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.047666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.268664 (E_RNA)
where:
Base-Base interactions energy: -146.167
where: short stacking energy: -71.847
Base-Backbone interact. energy: -0.001
local terms energy: -75.100249
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 1.221 (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: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -185.365496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.365496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.391427 (E_RNA)
where:
Base-Base interactions energy: -113.109
where: short stacking energy: -66.530
Base-Backbone interact. energy: -1.034
local terms energy: -71.247899
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -15.574
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: 55
Temperature: 1.100000
Total energy: -198.916938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.916938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.916938 (E_RNA)
where:
Base-Base interactions energy: -119.484
where: short stacking energy: -70.706
Base-Backbone interact. energy: -1.607
local terms energy: -77.825461
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -20.839
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: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -190.911940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.911940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.926417 (E_RNA)
where:
Base-Base interactions energy: -116.300
where: short stacking energy: -72.902
Base-Backbone interact. energy: -0.581
local terms energy: -74.045332
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -17.788
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: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -165.731106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.731106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.757716 (E_RNA)
where:
Base-Base interactions energy: -102.619
where: short stacking energy: -54.719
Base-Backbone interact. energy: -1.085
local terms energy: -62.053354
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -8.583
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: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -169.995657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.995657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.054392 (E_RNA)
where:
Base-Base interactions energy: -109.488
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.192
local terms energy: -60.374144
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -13.832
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: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -146.068417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.068417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.115387 (E_RNA)
where:
Base-Base interactions energy: -85.938
where: short stacking energy: -49.468
Base-Backbone interact. energy: -0.459
local terms energy: -59.718486
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -6.413
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: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -143.942830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.942830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.805612 (E_RNA)
where:
Base-Base interactions energy: -90.066
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.110
local terms energy: -54.630476
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -7.946
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -7.048
Dist. restrs. and SS energy: 0.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -233.443026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.443026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.991659 (E_RNA)
where:
Base-Base interactions energy: -152.849
where: short stacking energy: -80.596
Base-Backbone interact. energy: 0.251
local terms energy: -81.393878
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.549 (S_DIST_RNA)
chem. 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: -238.107638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.107638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.704748 (E_RNA)
where:
Base-Base interactions energy: -156.298
where: short stacking energy: -83.910
Base-Backbone interact. energy: -0.273
local terms energy: -82.133510
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -230.179003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.179003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.788466 (E_RNA)
where:
Base-Base interactions energy: -147.920
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.104
local terms energy: -83.763914
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -194.215248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.215248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.448188 (E_RNA)
where:
Base-Base interactions energy: -129.149
where: short stacking energy: -68.653
Base-Backbone interact. energy: -0.047
local terms energy: -65.252172
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -15.972
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: 5, replica: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -206.976732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.976732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.053854 (E_RNA)
where:
Base-Base interactions energy: -139.433
where: short stacking energy: -78.487
Base-Backbone interact. energy: -0.140
local terms energy: -67.480787
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -18.299
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: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -195.441753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.441753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.484853 (E_RNA)
where:
Base-Base interactions energy: -126.949
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.347
local terms energy: -68.187892
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -17.041
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: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -154.981948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.981948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.149130 (E_RNA)
where:
Base-Base interactions energy: -91.972
where: short stacking energy: -49.978
Base-Backbone interact. energy: -0.494
local terms energy: -62.682456
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -7.018
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: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -160.924265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.924265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.983591 (E_RNA)
where:
Base-Base interactions energy: -99.461
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.158
local terms energy: -61.365311
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -12.275
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: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -155.641047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.641047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.697102 (E_RNA)
where:
Base-Base interactions energy: -91.551
where: short stacking energy: -52.887
Base-Backbone interact. energy: 0.403
local terms energy: -64.548623
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -13.171
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: 56
Temperature: 1.350000
Total energy: -152.160095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.160095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.321127 (E_RNA)
where:
Base-Base interactions energy: -93.860
where: short stacking energy: -54.142
Base-Backbone interact. energy: 1.394
local terms energy: -59.855949
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -10.005
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: 57
Temperature: 0.900000
Total energy: -229.326919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.326919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.960724 (E_RNA)
where:
Base-Base interactions energy: -149.394
where: short stacking energy: -83.164
Base-Backbone interact. energy: -0.020
local terms energy: -80.546414
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -22.940
Dist. restrs. and SS energy: 0.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -224.270624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.270624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.270624 (E_RNA)
where:
Base-Base interactions energy: -146.091
where: short stacking energy: -76.273
Base-Backbone interact. energy: -0.275
local terms energy: -77.905087
where:
bonds (distance) C4'-P energy: -10.504
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -21.181
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: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -230.757618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.757618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.528960 (E_RNA)
where:
Base-Base interactions energy: -154.578
where: short stacking energy: -81.764
Base-Backbone interact. energy: -0.866
local terms energy: -76.084493
where:
bonds (distance) C4'-P energy: -13.240
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -223.374112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.374112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.455412 (E_RNA)
where:
Base-Base interactions energy: -146.939
where: short stacking energy: -80.391
Base-Backbone interact. energy: -0.000
local terms energy: -76.516135
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -200.863554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.863554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.353282 (E_RNA)
where:
Base-Base interactions energy: -128.210
where: short stacking energy: -72.751
Base-Backbone interact. energy: -0.106
local terms energy: -73.036654
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -211.784266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.784266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.831759 (E_RNA)
where:
Base-Base interactions energy: -142.882
where: short stacking energy: -74.246
Base-Backbone interact. energy: -0.448
local terms energy: -68.500922
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -17.932
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: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -160.249390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.249390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.623853 (E_RNA)
where:
Base-Base interactions energy: -99.088
where: short stacking energy: -55.644
Base-Backbone interact. energy: 1.625
local terms energy: -63.160775
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -154.104054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.104054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.595516 (E_RNA)
where:
Base-Base interactions energy: -84.636
where: short stacking energy: -45.863
Base-Backbone interact. energy: -0.299
local terms energy: -69.660301
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -8.329
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -155.096478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.096478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.430792 (E_RNA)
where:
Base-Base interactions energy: -96.955
where: short stacking energy: -57.588
Base-Backbone interact. energy: 0.063
local terms energy: -58.538730
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -9.004
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: 10, replica: 1
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -149.057670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.057670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.103634 (E_RNA)
where:
Base-Base interactions energy: -98.494
where: short stacking energy: -52.129
Base-Backbone interact. energy: -0.250
local terms energy: -50.359327
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -7.322
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: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -233.624927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.624927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.710768 (E_RNA)
where:
Base-Base interactions energy: -150.110
where: short stacking energy: -81.857
Base-Backbone interact. energy: -0.095
local terms energy: -83.505784
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -20.839
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: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -239.478521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.478521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.916626 (E_RNA)
where:
Base-Base interactions energy: -152.329
where: short stacking energy: -82.424
Base-Backbone interact. energy: -0.101
local terms energy: -88.487039
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -14.456
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 1.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -232.475923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.475923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.359503 (E_RNA)
where:
Base-Base interactions energy: -157.690
where: short stacking energy: -81.171
Base-Backbone interact. energy: -0.796
local terms energy: -75.873849
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 1.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -181.803738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.803738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.930007 (E_RNA)
where:
Base-Base interactions energy: -108.731
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.328
local terms energy: -72.870035
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -183.598966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.598966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.598966 (E_RNA)
where:
Base-Base interactions energy: -105.288
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.939
local terms energy: -77.371408
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: -0.000 (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: 58
Temperature: 1.150000
Total energy: -216.255407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.255407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.327581 (E_RNA)
where:
Base-Base interactions energy: -138.031
where: short stacking energy: -69.789
Base-Backbone interact. energy: -1.088
local terms energy: -77.208728
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -22.207
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: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -171.546697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.546697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.606133 (E_RNA)
where:
Base-Base interactions energy: -104.862
where: short stacking energy: -63.958
Base-Backbone interact. energy: -1.129
local terms energy: -65.615801
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -170.367195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.367195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.807454 (E_RNA)
where:
Base-Base interactions energy: -107.596
where: short stacking energy: -62.145
Base-Backbone interact. energy: -0.223
local terms energy: -62.988170
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -12.116
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -145.117043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.117043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.129984 (E_RNA)
where:
Base-Base interactions energy: -89.251
where: short stacking energy: -48.089
Base-Backbone interact. energy: -0.170
local terms energy: -55.709350
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -7.563
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: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -144.414239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.414239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.607611 (E_RNA)
where:
Base-Base interactions energy: -84.053
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.685
local terms energy: -59.869181
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -247.908038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.908038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.939553 (E_RNA)
where:
Base-Base interactions energy: -161.427
where: short stacking energy: -87.747
Base-Backbone interact. energy: -0.001
local terms energy: -86.512049
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -23.410
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: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -235.044097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.044097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.163998 (E_RNA)
where:
Base-Base interactions energy: -157.206
where: short stacking energy: -81.638
Base-Backbone interact. energy: -0.314
local terms energy: -78.644056
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 1.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -228.305776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.305776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.867897 (E_RNA)
where:
Base-Base interactions energy: -150.126
where: short stacking energy: -80.004
Base-Backbone interact. energy: -0.005
local terms energy: -78.736798
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.562 (S_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: 59
Temperature: 1.050000
Total energy: -200.354287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.354287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.606961 (E_RNA)
where:
Base-Base interactions energy: -128.042
where: short stacking energy: -69.684
Base-Backbone interact. energy: -0.671
local terms energy: -71.893671
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -17.447
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -199.867990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.867990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.987672 (E_RNA)
where:
Base-Base interactions energy: -130.190
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.526
local terms energy: -69.271467
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -19.005
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: 59
Temperature: 1.150000
Total energy: -211.699398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.699398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.845961 (E_RNA)
where:
Base-Base interactions energy: -137.215
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.964
local terms energy: -75.667572
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 2.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -181.308437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.308437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.651765 (E_RNA)
where:
Base-Base interactions energy: -112.258
where: short stacking energy: -75.312
Base-Backbone interact. energy: -0.003
local terms energy: -69.391437
where:
bonds (distance) C4'-P energy: -9.947
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -18.550
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: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -153.676622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.676622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.704526 (E_RNA)
where:
Base-Base interactions energy: -94.993
where: short stacking energy: -55.091
Base-Backbone interact. energy: -0.034
local terms energy: -58.677876
where:
bonds (distance) C4'-P energy: -5.560
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -12.733
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: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -140.933676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.933676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.012304 (E_RNA)
where:
Base-Base interactions energy: -76.833
where: short stacking energy: -40.081
Base-Backbone interact. energy: -0.014
local terms energy: -64.165818
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -11.708
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: 59
Temperature: 1.350000
Total energy: -152.301107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.301107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.372483 (E_RNA)
where:
Base-Base interactions energy: -96.736
where: short stacking energy: -57.922
Base-Backbone interact. energy: -0.768
local terms energy: -54.868610
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -7.086
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -9.850
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: 60
Temperature: 0.900000
Total energy: -243.033912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.033912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.115375 (E_RNA)
where:
Base-Base interactions energy: -155.520
where: short stacking energy: -85.160
Base-Backbone interact. energy: -0.002
local terms energy: -87.593282
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -14.699
tors. eta vs tors. theta energy: -25.469
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: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -239.354967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.354967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.421384 (E_RNA)
where:
Base-Base interactions energy: -158.635
where: short stacking energy: -91.919
Base-Backbone interact. energy: -0.000
local terms energy: -80.785950
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -22.335
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: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -229.256227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.256227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.195147 (E_RNA)
where:
Base-Base interactions energy: -147.297
where: short stacking energy: -79.492
Base-Backbone interact. energy: -1.901
local terms energy: -80.996619
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -215.532387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.532387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.619947 (E_RNA)
where:
Base-Base interactions energy: -129.863
where: short stacking energy: -62.692
Base-Backbone interact. energy: -1.179
local terms energy: -84.578325
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -21.262
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: 60
Temperature: 1.100000
Total energy: -207.443395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.443395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.307680 (E_RNA)
where:
Base-Base interactions energy: -141.279
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.007
local terms energy: -67.021280
where:
bonds (distance) C4'-P energy: -9.779
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.864 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -198.560395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.560395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.403970 (E_RNA)
where:
Base-Base interactions energy: -123.830
where: short stacking energy: -67.661
Base-Backbone interact. energy: -0.043
local terms energy: -75.530995
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -177.073845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.073845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.204241 (E_RNA)
where:
Base-Base interactions energy: -103.018
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.592
local terms energy: -73.593944
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -16.928
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: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -166.055501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.055501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.093756 (E_RNA)
where:
Base-Base interactions energy: -102.981
where: short stacking energy: -57.094
Base-Backbone interact. energy: -0.589
local terms energy: -62.523326
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -14.865
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: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -170.129613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.129613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.097289 (E_RNA)
where:
Base-Base interactions energy: -106.660
where: short stacking energy: -55.357
Base-Backbone interact. energy: -0.173
local terms energy: -64.264269
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -11.681
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -157.129307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.129307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.502189 (E_RNA)
where:
Base-Base interactions energy: -97.154
where: short stacking energy: -54.046
Base-Backbone interact. energy: -0.681
local terms energy: -59.666700
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -8.514
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: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -243.864133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.864133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.866354 (E_RNA)
where:
Base-Base interactions energy: -157.715
where: short stacking energy: -86.268
Base-Backbone interact. energy: -0.869
local terms energy: -85.282518
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -24.395
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: 61
Temperature: 0.950000
Total energy: -240.596936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.596936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.652408 (E_RNA)
where:
Base-Base interactions energy: -153.668
where: short stacking energy: -87.048
Base-Backbone interact. energy: -0.330
local terms energy: -86.653938
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -22.990
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: 61
Temperature: 1.000000
Total energy: -208.216470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.216470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.216470 (E_RNA)
where:
Base-Base interactions energy: -129.883
where: short stacking energy: -73.046
Base-Backbone interact. energy: -0.199
local terms energy: -78.134164
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -18.362
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: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -212.019508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.019508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.026086 (E_RNA)
where:
Base-Base interactions energy: -141.465
where: short stacking energy: -73.180
Base-Backbone interact. energy: -0.509
local terms energy: -70.051953
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -15.283
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: 61
Temperature: 1.100000
Total energy: -189.987325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.987325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.474003 (E_RNA)
where:
Base-Base interactions energy: -112.605
where: short stacking energy: -66.203
Base-Backbone interact. energy: -1.871
local terms energy: -76.998442
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -188.155802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.155802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.460269 (E_RNA)
where:
Base-Base interactions energy: -113.262
where: short stacking energy: -60.304
Base-Backbone interact. energy: -0.068
local terms energy: -75.129948
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -167.081502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.081502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.110647 (E_RNA)
where:
Base-Base interactions energy: -108.497
where: short stacking energy: -63.979
Base-Backbone interact. energy: -0.021
local terms energy: -58.592401
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -2.058
tors. eta vs tors. theta energy: -12.958
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: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -155.922062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.922062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.954835 (E_RNA)
where:
Base-Base interactions energy: -99.002
where: short stacking energy: -56.512
Base-Backbone interact. energy: 1.441
local terms energy: -58.393939
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -7.895
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: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -152.259353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.259353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.376232 (E_RNA)
where:
Base-Base interactions energy: -91.397
where: short stacking energy: -42.058
Base-Backbone interact. energy: -0.313
local terms energy: -60.666450
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -9.103
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -10.690
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: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -156.719375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.719375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.054584 (E_RNA)
where:
Base-Base interactions energy: -96.196
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.003
local terms energy: -60.854644
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -13.496
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: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -242.651551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.651551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.757500 (E_RNA)
where:
Base-Base interactions energy: -159.747
where: short stacking energy: -88.802
Base-Backbone interact. energy: -0.053
local terms energy: -82.957100
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -22.955
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -239.803354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.803354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.831646 (E_RNA)
where:
Base-Base interactions energy: -158.027
where: short stacking energy: -91.542
Base-Backbone interact. energy: -0.001
local terms energy: -81.803887
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -22.992
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: 62
Temperature: 1.000000
Total energy: -234.205842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.205842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.205842 (E_RNA)
where:
Base-Base interactions energy: -152.656
where: short stacking energy: -84.178
Base-Backbone interact. energy: -0.037
local terms energy: -81.512830
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -24.000
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: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -199.563767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.563767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.717934 (E_RNA)
where:
Base-Base interactions energy: -133.508
where: short stacking energy: -68.643
Base-Backbone interact. energy: -0.116
local terms energy: -66.093948
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -17.888
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -175.522813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.522813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.369841 (E_RNA)
where:
Base-Base interactions energy: -107.684
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.047
local terms energy: -68.639155
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -174.244735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.244735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.885898 (E_RNA)
where:
Base-Base interactions energy: -110.797
where: short stacking energy: -63.633
Base-Backbone interact. energy: -0.017
local terms energy: -64.072495
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -15.493
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -171.954114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.954114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.968679 (E_RNA)
where:
Base-Base interactions energy: -109.177
where: short stacking energy: -64.441
Base-Backbone interact. energy: 0.660
local terms energy: -63.451480
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -6.888
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -14.486
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: 62
Temperature: 1.250000
Total energy: -172.745127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.745127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.832451 (E_RNA)
where:
Base-Base interactions energy: -112.496
where: short stacking energy: -59.546
Base-Backbone interact. energy: 0.377
local terms energy: -60.712900
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -15.158
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: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -161.358644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.358644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.387296 (E_RNA)
where:
Base-Base interactions energy: -103.105
where: short stacking energy: -63.522
Base-Backbone interact. energy: -0.042
local terms energy: -58.240281
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -7.744
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: 62
Temperature: 1.350000
Total energy: -155.482529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.482529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.501765 (E_RNA)
where:
Base-Base interactions energy: -95.551
where: short stacking energy: -55.093
Base-Backbone interact. energy: -0.094
local terms energy: -59.857348
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -14.376
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: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -245.354170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.354170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.365911 (E_RNA)
where:
Base-Base interactions energy: -157.983
where: short stacking energy: -90.486
Base-Backbone interact. energy: -0.610
local terms energy: -86.772438
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -20.258
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: 63
Temperature: 0.950000
Total energy: -237.805765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.805765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.048643 (E_RNA)
where:
Base-Base interactions energy: -156.593
where: short stacking energy: -84.070
Base-Backbone interact. energy: -0.284
local terms energy: -81.171977
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -221.033182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.033182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.058690 (E_RNA)
where:
Base-Base interactions energy: -141.763
where: short stacking energy: -79.600
Base-Backbone interact. energy: -0.022
local terms energy: -79.273967
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -23.397
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: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -181.621101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.621101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.621101 (E_RNA)
where:
Base-Base interactions energy: -109.335
where: short stacking energy: -65.693
Base-Backbone interact. energy: -0.143
local terms energy: -72.143394
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: -0.000 (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: 63
Temperature: 1.100000
Total energy: -171.153471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.153471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.189219 (E_RNA)
where:
Base-Base interactions energy: -107.858
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.079
local terms energy: -64.252824
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 1.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -172.925297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.925297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.100780 (E_RNA)
where:
Base-Base interactions energy: -106.675
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.647
local terms energy: -65.778939
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -10.804
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: 63
Temperature: 1.200000
Total energy: -172.844223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.844223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.027568 (E_RNA)
where:
Base-Base interactions energy: -113.150
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.046
local terms energy: -60.831151
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -167.785433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.785433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.861072 (E_RNA)
where:
Base-Base interactions energy: -104.257
where: short stacking energy: -65.322
Base-Backbone interact. energy: -0.044
local terms energy: -63.559650
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -12.884
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: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -146.636903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.636903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.063445 (E_RNA)
where:
Base-Base interactions energy: -81.563
where: short stacking energy: -41.370
Base-Backbone interact. energy: -1.858
local terms energy: -63.642333
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -147.094827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.094827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.292729 (E_RNA)
where:
Base-Base interactions energy: -82.849
where: short stacking energy: -45.050
Base-Backbone interact. energy: -0.946
local terms energy: -63.497724
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -8.566
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: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -241.432745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.432745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.492442 (E_RNA)
where:
Base-Base interactions energy: -162.947
where: short stacking energy: -85.532
Base-Backbone interact. energy: -0.001
local terms energy: -78.544728
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -20.879
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: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -234.453278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.453278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.579805 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -87.823
Base-Backbone interact. energy: -0.350
local terms energy: -79.803003
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 2.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -195.145658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.145658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.365532 (E_RNA)
where:
Base-Base interactions energy: -117.710
where: short stacking energy: -62.151
Base-Backbone interact. energy: -0.428
local terms energy: -77.227438
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -182.927879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.927879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.927879 (E_RNA)
where:
Base-Base interactions energy: -119.586
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.795
local terms energy: -62.547360
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -8.292
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: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -189.681719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.681719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.673057 (E_RNA)
where:
Base-Base interactions energy: -125.844
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.036
local terms energy: -64.793242
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -169.267164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.267164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.426402 (E_RNA)
where:
Base-Base interactions energy: -99.981
where: short stacking energy: -52.952
Base-Backbone interact. energy: -0.086
local terms energy: -69.359925
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -11.917
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: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -162.590697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.590697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.837205 (E_RNA)
where:
Base-Base interactions energy: -97.622
where: short stacking energy: -59.782
Base-Backbone interact. energy: -0.069
local terms energy: -65.146435
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -9.115
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -16.035
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -151.661044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.661044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.939496 (E_RNA)
where:
Base-Base interactions energy: -86.099
where: short stacking energy: -47.150
Base-Backbone interact. energy: -0.029
local terms energy: -65.811769
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -11.280
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: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -162.113059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.113059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.113954 (E_RNA)
where:
Base-Base interactions energy: -100.735
where: short stacking energy: -59.680
Base-Backbone interact. energy: -1.005
local terms energy: -60.374634
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -10.684
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -10.544
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: 64
Temperature: 1.350000
Total energy: -160.716689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.716689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.793888 (E_RNA)
where:
Base-Base interactions energy: -89.621
where: short stacking energy: -44.910
Base-Backbone interact. energy: -0.671
local terms energy: -70.501819
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -13.312
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: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -242.476136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.476136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.559022 (E_RNA)
where:
Base-Base interactions energy: -156.870
where: short stacking energy: -90.660
Base-Backbone interact. energy: -0.029
local terms energy: -85.660244
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -13.746
tors. eta vs tors. theta energy: -23.164
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: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -238.284953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.284953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.636531 (E_RNA)
where:
Base-Base interactions energy: -154.931
where: short stacking energy: -80.676
Base-Backbone interact. energy: -0.001
local terms energy: -84.704280
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -23.595
Dist. restrs. and SS energy: 1.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -204.644670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.644670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.644670 (E_RNA)
where:
Base-Base interactions energy: -128.725
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.112
local terms energy: -75.806840
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -16.968
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -14.737
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: -0.000 (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: 65
Temperature: 1.050000
Total energy: -183.831040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.831040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.924304 (E_RNA)
where:
Base-Base interactions energy: -112.827
where: short stacking energy: -66.492
Base-Backbone interact. energy: -0.132
local terms energy: -70.965293
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -13.594
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: 65
Temperature: 1.100000
Total energy: -201.675649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.675649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.356049 (E_RNA)
where:
Base-Base interactions energy: -140.312
where: short stacking energy: -60.371
Base-Backbone interact. energy: 0.347
local terms energy: -62.390834
where:
bonds (distance) C4'-P energy: -6.103
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -179.899540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.899540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.102164 (E_RNA)
where:
Base-Base interactions energy: -109.535
where: short stacking energy: -61.287
Base-Backbone interact. energy: -0.283
local terms energy: -70.284461
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -11.488
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: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -172.338625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.338625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.486791 (E_RNA)
where:
Base-Base interactions energy: -103.834
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.005
local terms energy: -68.647868
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -13.770
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: 65
Temperature: 1.250000
Total energy: -150.769803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.769803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.704354 (E_RNA)
where:
Base-Base interactions energy: -90.258
where: short stacking energy: -39.855
Base-Backbone interact. energy: -0.153
local terms energy: -61.292740
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -7.941
Dist. restrs. and SS energy: 0.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -161.193730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.193730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.218976 (E_RNA)
where:
Base-Base interactions energy: -97.091
where: short stacking energy: -53.097
Base-Backbone interact. energy: -0.004
local terms energy: -64.124007
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -11.786
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: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -151.517620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.517620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.872402 (E_RNA)
where:
Base-Base interactions energy: -87.988
where: short stacking energy: -38.552
Base-Backbone interact. energy: -0.819
local terms energy: -64.065822
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -239.461793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.461793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.226746 (E_RNA)
where:
Base-Base interactions energy: -150.659
where: short stacking energy: -85.662
Base-Backbone interact. energy: -0.285
local terms energy: -91.283595
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -25.275
Dist. restrs. and SS energy: 2.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -238.422566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.422566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.592818 (E_RNA)
where:
Base-Base interactions energy: -151.957
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.004
local terms energy: -86.631981
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -204.531576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.531576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.531576 (E_RNA)
where:
Base-Base interactions energy: -128.697
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.779
local terms energy: -75.055347
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: -0.000 (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: 66
Temperature: 1.050000
Total energy: -204.743958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.743958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.052436 (E_RNA)
where:
Base-Base interactions energy: -130.341
where: short stacking energy: -74.676
Base-Backbone interact. energy: -0.295
local terms energy: -75.417056
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 1.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -179.640706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.640706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.028159 (E_RNA)
where:
Base-Base interactions energy: -108.862
where: short stacking energy: -71.158
Base-Backbone interact. energy: 0.091
local terms energy: -71.257891
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -180.354939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.354939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.563285 (E_RNA)
where:
Base-Base interactions energy: -112.893
where: short stacking energy: -46.732
Base-Backbone interact. energy: -0.016
local terms energy: -67.655081
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -13.867
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: 66
Temperature: 1.200000
Total energy: -172.214061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.214061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.193824 (E_RNA)
where:
Base-Base interactions energy: -104.534
where: short stacking energy: -61.198
Base-Backbone interact. energy: -0.942
local terms energy: -67.718118
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 0.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -170.134945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.134945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.134945 (E_RNA)
where:
Base-Base interactions energy: -102.607
where: short stacking energy: -57.071
Base-Backbone interact. energy: -0.806
local terms energy: -66.721983
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -13.760
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: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -168.065100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.065100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.441021 (E_RNA)
where:
Base-Base interactions energy: -106.618
where: short stacking energy: -58.377
Base-Backbone interact. energy: -0.190
local terms energy: -61.633129
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -11.508
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: 66
Temperature: 1.350000
Total energy: -146.095707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.095707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.286963 (E_RNA)
where:
Base-Base interactions energy: -81.026
where: short stacking energy: -44.908
Base-Backbone interact. energy: -0.497
local terms energy: -64.763802
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -7.191
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: 3
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -234.683531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.683531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.707909 (E_RNA)
where:
Base-Base interactions energy: -147.305
where: short stacking energy: -81.939
Base-Backbone interact. energy: -0.045
local terms energy: -88.357852
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 1.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -241.528979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.528979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.584476 (E_RNA)
where:
Base-Base interactions energy: -159.258
where: short stacking energy: -89.719
Base-Backbone interact. energy: -0.003
local terms energy: -82.322630
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -23.043
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: 9
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -220.818306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.818306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.818306 (E_RNA)
where:
Base-Base interactions energy: -148.716
where: short stacking energy: -79.922
Base-Backbone interact. energy: -0.093
local terms energy: -72.009603
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -20.747
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: 4, replica: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -222.631486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.631486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.749439 (E_RNA)
where:
Base-Base interactions energy: -143.948
where: short stacking energy: -79.062
Base-Backbone interact. energy: -0.060
local terms energy: -79.741536
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 1.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -185.695011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.695011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.733132 (E_RNA)
where:
Base-Base interactions energy: -114.281
where: short stacking energy: -71.783
Base-Backbone interact. energy: -0.009
local terms energy: -71.443210
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -15.091
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: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -165.146746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.146746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.163598 (E_RNA)
where:
Base-Base interactions energy: -100.376
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.085
local terms energy: -64.702687
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -11.979
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: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -180.280425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.280425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.338912 (E_RNA)
where:
Base-Base interactions energy: -108.487
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.030
local terms energy: -71.822607
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -15.150
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: 2
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -162.545248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.545248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.560816 (E_RNA)
where:
Base-Base interactions energy: -104.325
where: short stacking energy: -52.124
Base-Backbone interact. energy: -0.002
local terms energy: -58.233865
where:
bonds (distance) C4'-P energy: -7.503
bonds (distance) P-C4' energy: -8.663
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -10.590
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: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -165.547958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.547958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.825159 (E_RNA)
where:
Base-Base interactions energy: -100.310
where: short stacking energy: -56.328
Base-Backbone interact. energy: 0.939
local terms energy: -66.454360
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -14.360
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: 67
Temperature: 1.350000
Total energy: -150.534521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.534521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.889953 (E_RNA)
where:
Base-Base interactions energy: -95.077
where: short stacking energy: -51.120
Base-Backbone interact. energy: -0.034
local terms energy: -55.778845
where:
bonds (distance) C4'-P energy: -7.089
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -13.810
Dist. restrs. and SS energy: 0.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -245.852736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.852736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.911971 (E_RNA)
where:
Base-Base interactions energy: -162.673
where: short stacking energy: -84.920
Base-Backbone interact. energy: 1.515
local terms energy: -85.753754
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -15.219
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 1.059 (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: 68
Temperature: 0.950000
Total energy: -232.798415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.798415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.719348 (E_RNA)
where:
Base-Base interactions energy: -150.869
where: short stacking energy: -81.215
Base-Backbone interact. energy: -0.891
local terms energy: -81.959957
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -223.918409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.918409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.682552 (E_RNA)
where:
Base-Base interactions energy: -144.837
where: short stacking energy: -73.921
Base-Backbone interact. energy: -0.225
local terms energy: -80.620593
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 1.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -218.907427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.907427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.114653 (E_RNA)
where:
Base-Base interactions energy: -150.141
where: short stacking energy: -79.207
Base-Backbone interact. energy: -0.123
local terms energy: -68.850768
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -19.303
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -169.257229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.257229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.508465 (E_RNA)
where:
Base-Base interactions energy: -109.222
where: short stacking energy: -64.702
Base-Backbone interact. energy: -1.114
local terms energy: -60.172446
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -12.704
Dist. restrs. and SS energy: 1.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -180.094786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.094786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.458980 (E_RNA)
where:
Base-Base interactions energy: -107.386
where: short stacking energy: -68.381
Base-Backbone interact. energy: -0.002
local terms energy: -73.070992
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -18.438
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: 7, replica: 2
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -176.454945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.454945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.469609 (E_RNA)
where:
Base-Base interactions energy: -108.582
where: short stacking energy: -70.872
Base-Backbone interact. energy: -0.035
local terms energy: -67.852957
where:
bonds (distance) C4'-P energy: -10.273
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -14.270
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: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -159.411885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.411885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.411885 (E_RNA)
where:
Base-Base interactions energy: -93.958
where: short stacking energy: -50.374
Base-Backbone interact. energy: -0.575
local terms energy: -64.879227
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -11.096
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: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -169.388227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.388227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.843755 (E_RNA)
where:
Base-Base interactions energy: -109.211
where: short stacking energy: -52.796
Base-Backbone interact. energy: -0.355
local terms energy: -60.278130
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.456 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -157.465821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.465821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.707017 (E_RNA)
where:
Base-Base interactions energy: -104.685
where: short stacking energy: -62.429
Base-Backbone interact. energy: -0.007
local terms energy: -53.015067
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -5.315
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -14.139
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: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -244.506238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.506238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.508883 (E_RNA)
where:
Base-Base interactions energy: -157.321
where: short stacking energy: -89.180
Base-Backbone interact. energy: -0.139
local terms energy: -87.049714
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -14.887
tors. eta vs tors. theta energy: -22.022
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: 10
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -233.127785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.127785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.874914 (E_RNA)
where:
Base-Base interactions energy: -144.070
where: short stacking energy: -71.158
Base-Backbone interact. energy: -1.064
local terms energy: -88.740978
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -218.059523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.059523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.062507 (E_RNA)
where:
Base-Base interactions energy: -136.213
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.056
local terms energy: -81.793442
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -20.595
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: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -204.493241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.493241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.493241 (E_RNA)
where:
Base-Base interactions energy: -127.201
where: short stacking energy: -63.853
Base-Backbone interact. energy: -0.078
local terms energy: -77.214229
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -19.214
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: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -183.147606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.147606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.177755 (E_RNA)
where:
Base-Base interactions energy: -110.030
where: short stacking energy: -75.310
Base-Backbone interact. energy: -0.241
local terms energy: -72.906990
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -18.934
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: 69
Temperature: 1.150000
Total energy: -168.922428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.922428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.009426 (E_RNA)
where:
Base-Base interactions energy: -102.855
where: short stacking energy: -53.468
Base-Backbone interact. energy: -0.564
local terms energy: -65.590773
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -10.048
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -170.706462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.706462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.744394 (E_RNA)
where:
Base-Base interactions energy: -114.656
where: short stacking energy: -62.499
Base-Backbone interact. energy: -0.909
local terms energy: -55.179374
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -12.054
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: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -168.159944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.159944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.647054 (E_RNA)
where:
Base-Base interactions energy: -101.557
where: short stacking energy: -63.266
Base-Backbone interact. energy: -0.688
local terms energy: -66.401687
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -153.448474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.448474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.574748 (E_RNA)
where:
Base-Base interactions energy: -93.297
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.671
local terms energy: -59.605958
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -11.588
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -149.239804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.239804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.268077 (E_RNA)
where:
Base-Base interactions energy: -94.743
where: short stacking energy: -47.504
Base-Backbone interact. energy: -1.354
local terms energy: -53.170297
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -6.805
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: 70
Temperature: 0.900000
Total energy: -232.028811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.028811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.978623 (E_RNA)
where:
Base-Base interactions energy: -153.044
where: short stacking energy: -81.353
Base-Backbone interact. energy: -0.016
local terms energy: -80.918844
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 1.950 (S_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: 70
Temperature: 0.950000
Total energy: -235.566748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.566748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.568938 (E_RNA)
where:
Base-Base interactions energy: -160.953
where: short stacking energy: -88.782
Base-Backbone interact. energy: -0.060
local terms energy: -74.555214
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -21.846
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: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -228.639758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.639758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.044397 (E_RNA)
where:
Base-Base interactions energy: -145.622
where: short stacking energy: -75.421
Base-Backbone interact. energy: -0.242
local terms energy: -83.180579
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -188.300949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.300949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.300949 (E_RNA)
where:
Base-Base interactions energy: -122.900
where: short stacking energy: -70.012
Base-Backbone interact. energy: -0.753
local terms energy: -64.647880
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -13.315
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: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -197.734168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.734168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.741874 (E_RNA)
where:
Base-Base interactions energy: -126.271
where: short stacking energy: -72.457
Base-Backbone interact. energy: 0.317
local terms energy: -71.787171
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -16.565
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: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -191.297737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.297737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.500095 (E_RNA)
where:
Base-Base interactions energy: -111.793
where: short stacking energy: -57.814
Base-Backbone interact. energy: -0.106
local terms energy: -79.600397
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -18.556
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: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -180.764313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.764313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.979084 (E_RNA)
where:
Base-Base interactions energy: -110.122
where: short stacking energy: -63.471
Base-Backbone interact. energy: -0.591
local terms energy: -70.265429
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -162.894147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.894147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.958858 (E_RNA)
where:
Base-Base interactions energy: -102.516
where: short stacking energy: -56.496
Base-Backbone interact. energy: -0.026
local terms energy: -60.416320
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -10.182
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: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -171.722591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.722591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.781945 (E_RNA)
where:
Base-Base interactions energy: -108.584
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.067
local terms energy: -63.131841
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -9.629
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: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -144.266680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.266680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.331227 (E_RNA)
where:
Base-Base interactions energy: -89.800
where: short stacking energy: -47.280
Base-Backbone interact. energy: -0.098
local terms energy: -55.433189
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -2.501
tors. eta vs tors. theta energy: -12.191
Dist. restrs. and SS energy: 1.065 (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: 10
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -241.579285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.579285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.705743 (E_RNA)
where:
Base-Base interactions energy: -157.037
where: short stacking energy: -83.751
Base-Backbone interact. energy: -0.002
local terms energy: -84.666566
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -20.821
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -231.437745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.437745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.675143 (E_RNA)
where:
Base-Base interactions energy: -148.954
where: short stacking energy: -79.578
Base-Backbone interact. energy: -1.085
local terms energy: -81.636261
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -211.676690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.676690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.328817 (E_RNA)
where:
Base-Base interactions energy: -135.260
where: short stacking energy: -75.338
Base-Backbone interact. energy: -0.733
local terms energy: -76.335784
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -21.639
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: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -206.846782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.846782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.275477 (E_RNA)
where:
Base-Base interactions energy: -130.459
where: short stacking energy: -75.757
Base-Backbone interact. energy: -0.255
local terms energy: -76.561540
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -201.868549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.868549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.966333 (E_RNA)
where:
Base-Base interactions energy: -125.784
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.968
local terms energy: -75.214899
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -15.266
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: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -201.662572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.662572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.979159 (E_RNA)
where:
Base-Base interactions energy: -131.632
where: short stacking energy: -72.348
Base-Backbone interact. energy: 0.044
local terms energy: -70.391285
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -169.559361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.559361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.591939 (E_RNA)
where:
Base-Base interactions energy: -100.291
where: short stacking energy: -53.297
Base-Backbone interact. energy: 0.041
local terms energy: -69.342215
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -16.066
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: 71
Temperature: 1.250000
Total energy: -169.764863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.764863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.764863 (E_RNA)
where:
Base-Base interactions energy: -104.383
where: short stacking energy: -57.478
Base-Backbone interact. energy: -0.791
local terms energy: -64.591033
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -17.822
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: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -156.073697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.073697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.097927 (E_RNA)
where:
Base-Base interactions energy: -96.646
where: short stacking energy: -56.062
Base-Backbone interact. energy: -1.019
local terms energy: -58.433640
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -13.940
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: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -150.225781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.225781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.363709 (E_RNA)
where:
Base-Base interactions energy: -99.786
where: short stacking energy: -61.632
Base-Backbone interact. energy: 0.098
local terms energy: -50.675941
where:
bonds (distance) C4'-P energy: -2.907
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -237.195076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.195076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.806811 (E_RNA)
where:
Base-Base interactions energy: -151.031
where: short stacking energy: -79.312
Base-Backbone interact. energy: -0.166
local terms energy: -86.609784
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -23.802
Dist. restrs. and SS energy: 0.612 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -226.819691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.819691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.829846 (E_RNA)
where:
Base-Base interactions energy: -153.040
where: short stacking energy: -81.903
Base-Backbone interact. energy: -0.026
local terms energy: -73.763491
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -18.178
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: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -231.636443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.636443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.489129 (E_RNA)
where:
Base-Base interactions energy: -149.478
where: short stacking energy: -80.847
Base-Backbone interact. energy: -0.002
local terms energy: -84.009656
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 1.853 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -196.754531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.754531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.168522 (E_RNA)
where:
Base-Base interactions energy: -117.616
where: short stacking energy: -61.277
Base-Backbone interact. energy: -0.107
local terms energy: -80.445968
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 1.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -215.563048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.563048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.571628 (E_RNA)
where:
Base-Base interactions energy: -141.194
where: short stacking energy: -73.046
Base-Backbone interact. energy: 0.317
local terms energy: -74.694578
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -18.030
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -18.814
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: 72
Temperature: 1.150000
Total energy: -185.135578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.135578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.138036 (E_RNA)
where:
Base-Base interactions energy: -113.787
where: short stacking energy: -61.815
Base-Backbone interact. energy: -0.931
local terms energy: -72.419569
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 2.002 (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: 72
Temperature: 1.200000
Total energy: -179.041337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.041337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.646044 (E_RNA)
where:
Base-Base interactions energy: -121.324
where: short stacking energy: -71.573
Base-Backbone interact. energy: -0.051
local terms energy: -58.270565
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -2.219
tors. eta vs tors. theta energy: -17.048
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -166.638871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.638871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.702271 (E_RNA)
where:
Base-Base interactions energy: -102.979
where: short stacking energy: -54.194
Base-Backbone interact. energy: 0.099
local terms energy: -63.822556
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -12.384
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: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -162.896795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.896795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.901548 (E_RNA)
where:
Base-Base interactions energy: -106.403
where: short stacking energy: -46.039
Base-Backbone interact. energy: -0.035
local terms energy: -56.463286
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -8.263
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: 72
Temperature: 1.350000
Total energy: -148.139858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.139858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.280923 (E_RNA)
where:
Base-Base interactions energy: -96.771
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.004
local terms energy: -51.506381
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -7.580
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -11.471
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: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -237.948329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.948329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.189700 (E_RNA)
where:
Base-Base interactions energy: -155.093
where: short stacking energy: -88.517
Base-Backbone interact. energy: -0.002
local terms energy: -84.095268
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -21.344
Dist. restrs. and SS energy: 1.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -217.509989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.509989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.651849 (E_RNA)
where:
Base-Base interactions energy: -138.599
where: short stacking energy: -78.387
Base-Backbone interact. energy: -0.434
local terms energy: -78.619217
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -19.266
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: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -218.872037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.872037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.391349 (E_RNA)
where:
Base-Base interactions energy: -142.819
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.369
local terms energy: -76.203143
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -18.464
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -223.765646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.765646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.765646 (E_RNA)
where:
Base-Base interactions energy: -144.686
where: short stacking energy: -72.155
Base-Backbone interact. energy: -0.185
local terms energy: -78.894775
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -196.354862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.354862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.369716 (E_RNA)
where:
Base-Base interactions energy: -121.989
where: short stacking energy: -68.043
Base-Backbone interact. energy: -0.007
local terms energy: -74.373423
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -20.687
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: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -172.753585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.753585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.840092 (E_RNA)
where:
Base-Base interactions energy: -110.337
where: short stacking energy: -60.837
Base-Backbone interact. energy: -0.701
local terms energy: -61.802109
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -13.746
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -9.169
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -167.134328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.134328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.158694 (E_RNA)
where:
Base-Base interactions energy: -103.825
where: short stacking energy: -63.092
Base-Backbone interact. energy: 1.389
local terms energy: -64.721902
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -10.039
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: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -171.916283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.916283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.742845 (E_RNA)
where:
Base-Base interactions energy: -111.981
where: short stacking energy: -48.403
Base-Backbone interact. energy: -0.110
local terms energy: -60.651711
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -7.610
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -152.364827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.364827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.383612 (E_RNA)
where:
Base-Base interactions energy: -93.073
where: short stacking energy: -58.191
Base-Backbone interact. energy: -0.102
local terms energy: -59.208429
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -5.316
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: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -153.835181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.835181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.156658 (E_RNA)
where:
Base-Base interactions energy: -93.514
where: short stacking energy: -54.164
Base-Backbone interact. energy: -0.588
local terms energy: -60.053891
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -9.402
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -243.213879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.213879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.225141 (E_RNA)
where:
Base-Base interactions energy: -158.843
where: short stacking energy: -85.381
Base-Backbone interact. energy: 0.177
local terms energy: -84.559457
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -24.951
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: 74
Temperature: 0.950000
Total energy: -238.147531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.147531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.520443 (E_RNA)
where:
Base-Base interactions energy: -155.894
where: short stacking energy: -85.873
Base-Backbone interact. energy: -0.000
local terms energy: -83.626235
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 1.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -219.760591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.760591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.507483 (E_RNA)
where:
Base-Base interactions energy: -142.114
where: short stacking energy: -75.938
Base-Backbone interact. energy: -1.233
local terms energy: -77.160982
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -22.478
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -233.358057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.358057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.084397 (E_RNA)
where:
Base-Base interactions energy: -155.042
where: short stacking energy: -76.943
Base-Backbone interact. energy: -0.011
local terms energy: -79.031513
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.726 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -205.880912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.880912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.920105 (E_RNA)
where:
Base-Base interactions energy: -137.539
where: short stacking energy: -75.326
Base-Backbone interact. energy: -0.027
local terms energy: -68.354837
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -7.450
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -22.208
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: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -162.868955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.868955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.685211 (E_RNA)
where:
Base-Base interactions energy: -101.791
where: short stacking energy: -58.631
Base-Backbone interact. energy: -0.591
local terms energy: -63.303249
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -14.733
Dist. restrs. and SS energy: 2.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -188.988946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.031013 (E_RNA)
where:
Base-Base interactions energy: -118.158
where: short stacking energy: -62.786
Base-Backbone interact. energy: -0.002
local terms energy: -70.871143
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -13.773
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: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -186.673632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.673632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.728128 (E_RNA)
where:
Base-Base interactions energy: -117.912
where: short stacking energy: -60.981
Base-Backbone interact. energy: 0.472
local terms energy: -69.288176
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -17.138
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: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -144.666229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.666229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.755095 (E_RNA)
where:
Base-Base interactions energy: -86.636
where: short stacking energy: -38.741
Base-Backbone interact. energy: -1.198
local terms energy: -56.920972
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -5.601
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: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -156.943326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.943326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.983260 (E_RNA)
where:
Base-Base interactions energy: -101.117
where: short stacking energy: -51.958
Base-Backbone interact. energy: -0.125
local terms energy: -55.741135
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -237.857747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.857747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.865738 (E_RNA)
where:
Base-Base interactions energy: -154.456
where: short stacking energy: -76.667
Base-Backbone interact. energy: 1.049
local terms energy: -84.459223
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -22.587
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -240.274782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.274782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.320632 (E_RNA)
where:
Base-Base interactions energy: -157.073
where: short stacking energy: -89.789
Base-Backbone interact. energy: -0.454
local terms energy: -82.793460
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -21.965
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: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -219.802261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.802261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.959283 (E_RNA)
where:
Base-Base interactions energy: -142.438
where: short stacking energy: -74.600
Base-Backbone interact. energy: -0.125
local terms energy: -78.396722
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 1.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -202.212780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.212780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.728741 (E_RNA)
where:
Base-Base interactions energy: -133.932
where: short stacking energy: -79.621
Base-Backbone interact. energy: -0.004
local terms energy: -68.792775
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -208.200100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.200100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.752437 (E_RNA)
where:
Base-Base interactions energy: -131.666
where: short stacking energy: -78.688
Base-Backbone interact. energy: -0.311
local terms energy: -77.775764
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -189.382244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.382244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.502137 (E_RNA)
where:
Base-Base interactions energy: -109.119
where: short stacking energy: -68.262
Base-Backbone interact. energy: -0.704
local terms energy: -79.678947
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -20.513
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: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -165.938046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.938046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.026421 (E_RNA)
where:
Base-Base interactions energy: -99.322
where: short stacking energy: -54.324
Base-Backbone interact. energy: 0.839
local terms energy: -67.543485
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -12.676
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: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -155.178876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.178876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.437346 (E_RNA)
where:
Base-Base interactions energy: -100.232
where: short stacking energy: -52.839
Base-Backbone interact. energy: -0.270
local terms energy: -54.935641
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -8.157
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -179.062013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.062013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.313229 (E_RNA)
where:
Base-Base interactions energy: -113.150
where: short stacking energy: -64.516
Base-Backbone interact. energy: -0.121
local terms energy: -66.041765
where:
bonds (distance) C4'-P energy: -7.258
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -12.248
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: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -149.810593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.810593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.920442 (E_RNA)
where:
Base-Base interactions energy: -94.473
where: short stacking energy: -45.715
Base-Backbone interact. energy: -0.097
local terms energy: -55.350391
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -11.487
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -7.440
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: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -249.950384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.950384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.184629 (E_RNA)
where:
Base-Base interactions energy: -164.790
where: short stacking energy: -83.192
Base-Backbone interact. energy: -0.000
local terms energy: -85.394640
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -238.096262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.096262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.149443 (E_RNA)
where:
Base-Base interactions energy: -154.932
where: short stacking energy: -84.662
Base-Backbone interact. energy: 2.241
local terms energy: -85.459106
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -21.490
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: 76
Temperature: 1.000000
Total energy: -191.818264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.818264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.909564 (E_RNA)
where:
Base-Base interactions energy: -115.944
where: short stacking energy: -67.472
Base-Backbone interact. energy: -0.080
local terms energy: -75.886269
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -14.588
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -206.789790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.789790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.789790 (E_RNA)
where:
Base-Base interactions energy: -135.697
where: short stacking energy: -65.017
Base-Backbone interact. energy: -0.240
local terms energy: -70.852907
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: -0.000 (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: 76
Temperature: 1.100000
Total energy: -185.490020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.490020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.099128 (E_RNA)
where:
Base-Base interactions energy: -118.090
where: short stacking energy: -59.580
Base-Backbone interact. energy: -0.137
local terms energy: -67.872442
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -180.020463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.020463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.554334 (E_RNA)
where:
Base-Base interactions energy: -112.075
where: short stacking energy: -63.353
Base-Backbone interact. energy: 0.220
local terms energy: -68.699731
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -15.893
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: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -162.752134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.752134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.754726 (E_RNA)
where:
Base-Base interactions energy: -98.209
where: short stacking energy: -50.941
Base-Backbone interact. energy: -0.083
local terms energy: -64.463361
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -10.901
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: 76
Temperature: 1.250000
Total energy: -174.934930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.934930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.014891 (E_RNA)
where:
Base-Base interactions energy: -113.708
where: short stacking energy: -59.648
Base-Backbone interact. energy: -0.640
local terms energy: -60.666695
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -14.787
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: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -153.872104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.872104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.065487 (E_RNA)
where:
Base-Base interactions energy: -97.396
where: short stacking energy: -51.622
Base-Backbone interact. energy: -0.343
local terms energy: -56.325855
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -130.446437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.446437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.074856 (E_RNA)
where:
Base-Base interactions energy: -81.625
where: short stacking energy: -43.907
Base-Backbone interact. energy: -0.054
local terms energy: -50.395756
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -3.151
tors. eta vs tors. theta energy: -6.343
Dist. restrs. and SS energy: 1.628 (S_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: 77
Temperature: 0.900000
Total energy: -246.411293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.411293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.492932 (E_RNA)
where:
Base-Base interactions energy: -162.742
where: short stacking energy: -84.169
Base-Backbone interact. energy: -0.001
local terms energy: -83.750081
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -188.527164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.527164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.593020 (E_RNA)
where:
Base-Base interactions energy: -111.945
where: short stacking energy: -71.655
Base-Backbone interact. energy: 1.065
local terms energy: -77.712235
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -15.407
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: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -219.056684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.056684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.240004 (E_RNA)
where:
Base-Base interactions energy: -148.030
where: short stacking energy: -70.757
Base-Backbone interact. energy: -0.001
local terms energy: -72.208677
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 1.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -208.480502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.480502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.858324 (E_RNA)
where:
Base-Base interactions energy: -140.588
where: short stacking energy: -78.218
Base-Backbone interact. energy: -0.002
local terms energy: -69.267864
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 1.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -185.332307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.332307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.429940 (E_RNA)
where:
Base-Base interactions energy: -114.421
where: short stacking energy: -67.730
Base-Backbone interact. energy: -0.566
local terms energy: -70.443751
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -17.431
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: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -174.865349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.865349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.949134 (E_RNA)
where:
Base-Base interactions energy: -109.766
where: short stacking energy: -64.837
Base-Backbone interact. energy: 0.603
local terms energy: -65.786630
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -16.507
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: 77
Temperature: 1.200000
Total energy: -160.597622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.597622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.155260 (E_RNA)
where:
Base-Base interactions energy: -99.022
where: short stacking energy: -54.144
Base-Backbone interact. energy: 0.164
local terms energy: -62.297334
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -8.160
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: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -177.776721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.776721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.902726 (E_RNA)
where:
Base-Base interactions energy: -102.959
where: short stacking energy: -65.029
Base-Backbone interact. energy: -0.222
local terms energy: -74.721824
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.890
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -15.567
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: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -163.685390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.685390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.730615 (E_RNA)
where:
Base-Base interactions energy: -108.854
where: short stacking energy: -50.124
Base-Backbone interact. energy: 1.074
local terms energy: -55.950697
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -16.328
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: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -108.238444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.238444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.766249 (E_RNA)
where:
Base-Base interactions energy: -60.734
where: short stacking energy: -34.108
Base-Backbone interact. energy: -0.147
local terms energy: -52.884824
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -2.176
Dist. restrs. and SS energy: 5.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -240.424818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.424818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.476280 (E_RNA)
where:
Base-Base interactions energy: -156.369
where: short stacking energy: -86.002
Base-Backbone interact. energy: -0.623
local terms energy: -83.484689
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -22.795
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: 78
Temperature: 0.950000
Total energy: -194.284541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.284541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.408533 (E_RNA)
where:
Base-Base interactions energy: -123.234
where: short stacking energy: -72.426
Base-Backbone interact. energy: -0.025
local terms energy: -71.149169
where:
bonds (distance) C4'-P energy: -15.023
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -224.965788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.965788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.988447 (E_RNA)
where:
Base-Base interactions energy: -144.103
where: short stacking energy: -74.486
Base-Backbone interact. energy: -0.029
local terms energy: -80.856421
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -17.286
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: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -182.799759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.799759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.264670 (E_RNA)
where:
Base-Base interactions energy: -120.259
where: short stacking energy: -66.567
Base-Backbone interact. energy: 0.114
local terms energy: -64.119562
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 1.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -172.144061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.144061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.178134 (E_RNA)
where:
Base-Base interactions energy: -103.007
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.113
local terms energy: -69.058678
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -15.571
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: 78
Temperature: 1.150000
Total energy: -186.707670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.707670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.502200 (E_RNA)
where:
Base-Base interactions energy: -118.965
where: short stacking energy: -67.155
Base-Backbone interact. energy: -0.039
local terms energy: -68.497955
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.795 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -177.682845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.682845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.698627 (E_RNA)
where:
Base-Base interactions energy: -100.119
where: short stacking energy: -58.136
Base-Backbone interact. energy: -0.242
local terms energy: -77.337621
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -17.247
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: 78
Temperature: 1.250000
Total energy: -151.475118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.475118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.605111 (E_RNA)
where:
Base-Base interactions energy: -89.674
where: short stacking energy: -51.407
Base-Backbone interact. energy: -0.412
local terms energy: -61.519613
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -4.941
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -145.306944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.306944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.319409 (E_RNA)
where:
Base-Base interactions energy: -93.876
where: short stacking energy: -51.307
Base-Backbone interact. energy: -0.022
local terms energy: -51.420578
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -11.292
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: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -146.577420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.577420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.750731 (E_RNA)
where:
Base-Base interactions energy: -84.834
where: short stacking energy: -47.680
Base-Backbone interact. energy: -0.765
local terms energy: -61.152270
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -6.816
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: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -238.495637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.495637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.528295 (E_RNA)
where:
Base-Base interactions energy: -151.836
where: short stacking energy: -84.823
Base-Backbone interact. energy: -0.362
local terms energy: -86.330446
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -24.590
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: 79
Temperature: 0.950000
Total energy: -236.580769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.580769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.548585 (E_RNA)
where:
Base-Base interactions energy: -156.601
where: short stacking energy: -90.266
Base-Backbone interact. energy: -0.005
local terms energy: -80.942481
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -184.828892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.828892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.851096 (E_RNA)
where:
Base-Base interactions energy: -114.673
where: short stacking energy: -67.920
Base-Backbone interact. energy: -0.341
local terms energy: -69.837402
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -14.945
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -214.062048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.062048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.236403 (E_RNA)
where:
Base-Base interactions energy: -136.340
where: short stacking energy: -71.870
Base-Backbone interact. energy: -0.186
local terms energy: -77.710773
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -182.555825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.555825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.666750 (E_RNA)
where:
Base-Base interactions energy: -112.683
where: short stacking energy: -70.848
Base-Backbone interact. energy: -0.068
local terms energy: -69.915858
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -15.538
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: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -171.356341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.356341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.212367 (E_RNA)
where:
Base-Base interactions energy: -101.779
where: short stacking energy: -59.795
Base-Backbone interact. energy: -0.056
local terms energy: -71.376850
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 1.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -171.099904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.099904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.161703 (E_RNA)
where:
Base-Base interactions energy: -104.892
where: short stacking energy: -52.278
Base-Backbone interact. energy: -0.445
local terms energy: -65.824152
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -11.991
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: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -161.746505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.746505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.793936 (E_RNA)
where:
Base-Base interactions energy: -95.678
where: short stacking energy: -57.813
Base-Backbone interact. energy: -0.096
local terms energy: -66.019091
where:
bonds (distance) C4'-P energy: -5.581
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -16.338
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -168.055098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.055098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.195526 (E_RNA)
where:
Base-Base interactions energy: -105.410
where: short stacking energy: -51.753
Base-Backbone interact. energy: 0.672
local terms energy: -63.457809
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -13.463
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: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -154.328012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.328012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.704070 (E_RNA)
where:
Base-Base interactions energy: -91.477
where: short stacking energy: -53.480
Base-Backbone interact. energy: -0.047
local terms energy: -63.179820
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -8.340
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: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -236.945659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.945659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.932572 (E_RNA)
where:
Base-Base interactions energy: -162.324
where: short stacking energy: -86.384
Base-Backbone interact. energy: -0.028
local terms energy: -75.580918
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -228.379666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.379666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.894006 (E_RNA)
where:
Base-Base interactions energy: -147.935
where: short stacking energy: -75.196
Base-Backbone interact. energy: -0.831
local terms energy: -81.128257
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -22.196
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -224.011455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.011455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.122871 (E_RNA)
where:
Base-Base interactions energy: -150.814
where: short stacking energy: -74.564
Base-Backbone interact. energy: -0.211
local terms energy: -73.097632
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -6.713
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -192.302029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.302029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.707779 (E_RNA)
where:
Base-Base interactions energy: -119.541
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.007
local terms energy: -73.159467
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -179.573132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.573132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.749831 (E_RNA)
where:
Base-Base interactions energy: -111.522
where: short stacking energy: -56.513
Base-Backbone interact. energy: -0.961
local terms energy: -67.266505
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -14.420
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: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -175.991523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.991523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.031959 (E_RNA)
where:
Base-Base interactions energy: -102.029
where: short stacking energy: -63.780
Base-Backbone interact. energy: -0.137
local terms energy: -73.865950
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -15.170
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: 80
Temperature: 1.200000
Total energy: -180.964517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.964517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.009260 (E_RNA)
where:
Base-Base interactions energy: -114.106
where: short stacking energy: -72.943
Base-Backbone interact. energy: -0.003
local terms energy: -66.900087
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -8.872
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -16.482
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: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -171.994932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.994932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.129090 (E_RNA)
where:
Base-Base interactions energy: -107.207
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.087
local terms energy: -64.834922
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -14.571
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: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -163.418407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.418407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.503721 (E_RNA)
where:
Base-Base interactions energy: -108.833
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.035
local terms energy: -54.635063
where:
bonds (distance) C4'-P energy: -6.625
bonds (distance) P-C4' energy: -7.673
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -15.355
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: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -155.963422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.963422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.321021 (E_RNA)
where:
Base-Base interactions energy: -91.114
where: short stacking energy: -61.248
Base-Backbone interact. energy: -0.003
local terms energy: -65.203871
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -12.081
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: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -242.309304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.309304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.414414 (E_RNA)
where:
Base-Base interactions energy: -157.763
where: short stacking energy: -87.080
Base-Backbone interact. energy: -0.151
local terms energy: -84.501166
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -237.420043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.420043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.750798 (E_RNA)
where:
Base-Base interactions energy: -157.101
where: short stacking energy: -83.225
Base-Backbone interact. energy: -0.001
local terms energy: -81.649166
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -21.680
Dist. restrs. and SS energy: 1.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -229.296132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.296132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.603428 (E_RNA)
where:
Base-Base interactions energy: -149.325
where: short stacking energy: -79.373
Base-Backbone interact. energy: -0.219
local terms energy: -81.059462
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 1.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -190.847856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.847856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.862152 (E_RNA)
where:
Base-Base interactions energy: -120.388
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.003
local terms energy: -70.470857
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -14.195
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: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -174.703806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.703806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.717528 (E_RNA)
where:
Base-Base interactions energy: -105.437
where: short stacking energy: -67.261
Base-Backbone interact. energy: -0.003
local terms energy: -69.277906
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -11.036
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: 81
Temperature: 1.150000
Total energy: -171.249272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.249272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.358188 (E_RNA)
where:
Base-Base interactions energy: -106.775
where: short stacking energy: -66.195
Base-Backbone interact. energy: -0.015
local terms energy: -64.568330
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -13.186
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: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -166.815322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.815322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.817423 (E_RNA)
where:
Base-Base interactions energy: -105.987
where: short stacking energy: -58.280
Base-Backbone interact. energy: -0.011
local terms energy: -60.819726
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -12.389
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: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -174.597997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.597997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.597997 (E_RNA)
where:
Base-Base interactions energy: -104.086
where: short stacking energy: -49.386
Base-Backbone interact. energy: -0.402
local terms energy: -70.109544
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -11.714
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: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -151.680173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.680173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.997517 (E_RNA)
where:
Base-Base interactions energy: -92.315
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.029
local terms energy: -59.653419
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -3.584
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -147.421906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.421906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.548924 (E_RNA)
where:
Base-Base interactions energy: -85.473
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.097
local terms energy: -61.979351
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -9.703
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: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -227.580776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.580776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.688690 (E_RNA)
where:
Base-Base interactions energy: -150.030
where: short stacking energy: -76.818
Base-Backbone interact. energy: -0.221
local terms energy: -77.437706
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -22.970
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: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -228.867485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.867485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.377811 (E_RNA)
where:
Base-Base interactions energy: -147.981
where: short stacking energy: -80.445
Base-Backbone interact. energy: -0.225
local terms energy: -82.172264
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 1.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -216.573705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.573705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.157394 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.001
local terms energy: -75.675190
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -206.580725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.580725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.835899 (E_RNA)
where:
Base-Base interactions energy: -132.804
where: short stacking energy: -77.918
Base-Backbone interact. energy: -0.094
local terms energy: -73.937401
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -20.286
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: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -193.543447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.543447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.626445 (E_RNA)
where:
Base-Base interactions energy: -117.830
where: short stacking energy: -63.801
Base-Backbone interact. energy: -0.018
local terms energy: -75.778120
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -17.956
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: 82
Temperature: 1.150000
Total energy: -169.559091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.559091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.637652 (E_RNA)
where:
Base-Base interactions energy: -99.952
where: short stacking energy: -52.936
Base-Backbone interact. energy: -0.149
local terms energy: -69.536659
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -14.515
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: 82
Temperature: 1.200000
Total energy: -165.687595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.687595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.757908 (E_RNA)
where:
Base-Base interactions energy: -110.216
where: short stacking energy: -57.052
Base-Backbone interact. energy: -0.266
local terms energy: -55.275149
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -10.668
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: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -166.348305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.348305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.397003 (E_RNA)
where:
Base-Base interactions energy: -103.596
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.115
local terms energy: -62.686471
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -12.488
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: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -155.135452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.135452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.546186 (E_RNA)
where:
Base-Base interactions energy: -92.662
where: short stacking energy: -54.397
Base-Backbone interact. energy: -0.525
local terms energy: -62.358439
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -12.624
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: 82
Temperature: 1.350000
Total energy: -166.949458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.949458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.028050 (E_RNA)
where:
Base-Base interactions energy: -103.613
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.800
local terms energy: -62.614550
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -14.444
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: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -231.531413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.531413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.272640 (E_RNA)
where:
Base-Base interactions energy: -152.246
where: short stacking energy: -82.003
Base-Backbone interact. energy: -1.059
local terms energy: -78.967837
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -212.918383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.918383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.469983 (E_RNA)
where:
Base-Base interactions energy: -137.692
where: short stacking energy: -72.475
Base-Backbone interact. energy: -0.040
local terms energy: -75.737605
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -235.019043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.019043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.316884 (E_RNA)
where:
Base-Base interactions energy: -146.234
where: short stacking energy: -78.290
Base-Backbone interact. energy: -0.005
local terms energy: -90.078190
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 1.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -220.945637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.945637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.414283 (E_RNA)
where:
Base-Base interactions energy: -140.408
where: short stacking energy: -82.109
Base-Backbone interact. energy: -0.002
local terms energy: -82.004172
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 1.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -214.114883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.114883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.142443 (E_RNA)
where:
Base-Base interactions energy: -130.853
where: short stacking energy: -71.611
Base-Backbone interact. energy: -0.016
local terms energy: -83.274371
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -19.591
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: 83
Temperature: 1.150000
Total energy: -174.923013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.923013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.987922 (E_RNA)
where:
Base-Base interactions energy: -115.248
where: short stacking energy: -58.385
Base-Backbone interact. energy: 1.372
local terms energy: -61.112439
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -6.688
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -160.854978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.854978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.854978 (E_RNA)
where:
Base-Base interactions energy: -95.630
where: short stacking energy: -50.544
Base-Backbone interact. energy: -0.024
local terms energy: -65.200762
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -5.450
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: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -164.873736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.873736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.863070 (E_RNA)
where:
Base-Base interactions energy: -96.133
where: short stacking energy: -47.585
Base-Backbone interact. energy: -0.111
local terms energy: -69.619203
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -154.265356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.265356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.308181 (E_RNA)
where:
Base-Base interactions energy: -89.557
where: short stacking energy: -49.662
Base-Backbone interact. energy: -0.225
local terms energy: -64.526278
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -12.353
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: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -149.481024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.481024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.520125 (E_RNA)
where:
Base-Base interactions energy: -82.355
where: short stacking energy: -41.011
Base-Backbone interact. energy: -0.113
local terms energy: -67.052377
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -15.822
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: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -228.675234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.675234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.675234 (E_RNA)
where:
Base-Base interactions energy: -147.445
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.000
local terms energy: -81.230166
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -18.398
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: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -235.592182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.592182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.669795 (E_RNA)
where:
Base-Base interactions energy: -153.531
where: short stacking energy: -81.290
Base-Backbone interact. energy: -0.716
local terms energy: -81.423342
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -19.996
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: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -230.132036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.132036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.704051 (E_RNA)
where:
Base-Base interactions energy: -150.069
where: short stacking energy: -75.017
Base-Backbone interact. energy: -0.001
local terms energy: -80.633905
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -203.269706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.269706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.384824 (E_RNA)
where:
Base-Base interactions energy: -130.949
where: short stacking energy: -73.940
Base-Backbone interact. energy: -0.261
local terms energy: -74.174234
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 2.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -217.881987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.881987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.354733 (E_RNA)
where:
Base-Base interactions energy: -143.489
where: short stacking energy: -84.275
Base-Backbone interact. energy: -0.000
local terms energy: -74.865486
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -24.435
Dist. restrs. and SS energy: 0.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -174.294147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.294147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.357485 (E_RNA)
where:
Base-Base interactions energy: -109.329
where: short stacking energy: -57.442
Base-Backbone interact. energy: -0.077
local terms energy: -64.950880
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -10.968
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: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -167.241885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.241885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.551685 (E_RNA)
where:
Base-Base interactions energy: -99.103
where: short stacking energy: -57.027
Base-Backbone interact. energy: -2.373
local terms energy: -66.075779
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -17.248
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -12.351
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -156.424685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.424685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.473681 (E_RNA)
where:
Base-Base interactions energy: -96.696
where: short stacking energy: -53.449
Base-Backbone interact. energy: 0.567
local terms energy: -60.345365
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -11.614
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: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -151.662928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.662928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.819082 (E_RNA)
where:
Base-Base interactions energy: -103.295
where: short stacking energy: -53.254
Base-Backbone interact. energy: -0.193
local terms energy: -48.331007
where:
bonds (distance) C4'-P energy: -4.779
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -2.040
tors. eta vs tors. theta energy: -12.752
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: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -154.151150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.151150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.171547 (E_RNA)
where:
Base-Base interactions energy: -99.642
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.047
local terms energy: -54.482687
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -8.607
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: 85
Temperature: 0.900000
Total energy: -240.338867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.338867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.476328 (E_RNA)
where:
Base-Base interactions energy: -165.354
where: short stacking energy: -81.757
Base-Backbone interact. energy: -0.004
local terms energy: -76.118936
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 1.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -235.473625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.473625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.531480 (E_RNA)
where:
Base-Base interactions energy: -161.034
where: short stacking energy: -80.358
Base-Backbone interact. energy: -0.060
local terms energy: -74.437765
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -16.919
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: 85
Temperature: 1.000000
Total energy: -230.667544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.667544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.735231 (E_RNA)
where:
Base-Base interactions energy: -145.346
where: short stacking energy: -78.820
Base-Backbone interact. energy: -0.726
local terms energy: -84.663969
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -19.900
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -190.184123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.184123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.200920 (E_RNA)
where:
Base-Base interactions energy: -118.834
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.020
local terms energy: -71.347277
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -10.127
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -17.724
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: 85
Temperature: 1.100000
Total energy: -177.501882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.501882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.751577 (E_RNA)
where:
Base-Base interactions energy: -108.310
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.275
local terms energy: -69.166185
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -179.123964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.123964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.238100 (E_RNA)
where:
Base-Base interactions energy: -117.728
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.403
local terms energy: -61.106942
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -15.316
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: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -166.897557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.897557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.035134 (E_RNA)
where:
Base-Base interactions energy: -110.637
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.323
local terms energy: -56.074249
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -8.744
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: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -170.381533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.381533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.530780 (E_RNA)
where:
Base-Base interactions energy: -103.008
where: short stacking energy: -53.204
Base-Backbone interact. energy: -0.059
local terms energy: -67.463838
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -9.909
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: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -160.386112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.386112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.386112 (E_RNA)
where:
Base-Base interactions energy: -100.046
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.119
local terms energy: -60.220857
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -10.936
Dist. restrs. and SS energy: 0.000 (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: 85
Temperature: 1.350000
Total energy: -179.879888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.879888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.990300 (E_RNA)
where:
Base-Base interactions energy: -116.072
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.000
local terms energy: -64.917654
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -16.983
Dist. restrs. and SS energy: 1.110 (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: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -229.051050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.051050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.084650 (E_RNA)
where:
Base-Base interactions energy: -154.792
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.009
local terms energy: -74.283805
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -16.922
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: 86
Temperature: 0.950000
Total energy: -233.076573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.076573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.076573 (E_RNA)
where:
Base-Base interactions energy: -152.660
where: short stacking energy: -82.187
Base-Backbone interact. energy: -0.031
local terms energy: -80.385323
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -20.719
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: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -232.008411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.008411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.482591 (E_RNA)
where:
Base-Base interactions energy: -153.224
where: short stacking energy: -78.993
Base-Backbone interact. energy: -0.024
local terms energy: -79.234880
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -190.644170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.644170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.920970 (E_RNA)
where:
Base-Base interactions energy: -127.115
where: short stacking energy: -60.229
Base-Backbone interact. energy: -0.041
local terms energy: -63.765916
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -11.526
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: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -178.649499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.649499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.649499 (E_RNA)
where:
Base-Base interactions energy: -112.052
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.095
local terms energy: -66.502879
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (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: 86
Temperature: 1.150000
Total energy: -170.056707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.056707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.235541 (E_RNA)
where:
Base-Base interactions energy: -107.419
where: short stacking energy: -66.039
Base-Backbone interact. energy: -0.879
local terms energy: -61.937431
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -14.122
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: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -171.658790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.658790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.880420 (E_RNA)
where:
Base-Base interactions energy: -108.250
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.221
local terms energy: -63.410174
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -13.785
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: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -156.505430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.505430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.555868 (E_RNA)
where:
Base-Base interactions energy: -101.616
where: short stacking energy: -38.922
Base-Backbone interact. energy: -0.254
local terms energy: -54.685574
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -3.010
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: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -168.026963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.026963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.461327 (E_RNA)
where:
Base-Base interactions energy: -108.718
where: short stacking energy: -57.388
Base-Backbone interact. energy: -0.432
local terms energy: -59.311166
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -140.954051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.954051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.542602 (E_RNA)
where:
Base-Base interactions energy: -81.090
where: short stacking energy: -47.088
Base-Backbone interact. energy: -0.262
local terms energy: -60.190093
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -10.424
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -231.669951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.669951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.122894 (E_RNA)
where:
Base-Base interactions energy: -150.124
where: short stacking energy: -73.704
Base-Backbone interact. energy: -0.597
local terms energy: -81.402331
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -221.018276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.018276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.096002 (E_RNA)
where:
Base-Base interactions energy: -146.936
where: short stacking energy: -70.365
Base-Backbone interact. energy: -1.488
local terms energy: -72.671260
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -19.994
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: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -236.683115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.683115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.760706 (E_RNA)
where:
Base-Base interactions energy: -159.388
where: short stacking energy: -78.064
Base-Backbone interact. energy: -0.239
local terms energy: -77.133266
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -193.757256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.757256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.808643 (E_RNA)
where:
Base-Base interactions energy: -122.624
where: short stacking energy: -77.844
Base-Backbone interact. energy: -0.039
local terms energy: -71.144921
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -15.420
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: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -178.360686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.360686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.360686 (E_RNA)
where:
Base-Base interactions energy: -108.334
where: short stacking energy: -66.929
Base-Backbone interact. energy: -0.099
local terms energy: -69.927229
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -12.352
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: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -183.645036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.645036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.465325 (E_RNA)
where:
Base-Base interactions energy: -122.108
where: short stacking energy: -60.850
Base-Backbone interact. energy: 1.965
local terms energy: -65.322360
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 1.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -168.806655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.806655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.806655 (E_RNA)
where:
Base-Base interactions energy: -101.406
where: short stacking energy: -55.090
Base-Backbone interact. energy: -0.805
local terms energy: -66.595763
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -8.673
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: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -183.294196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.294196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.327787 (E_RNA)
where:
Base-Base interactions energy: -120.284
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.019
local terms energy: -64.025104
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 1.034 (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: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -152.950709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.950709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.090563 (E_RNA)
where:
Base-Base interactions energy: -89.972
where: short stacking energy: -42.967
Base-Backbone interact. energy: 1.711
local terms energy: -64.829708
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -13.759
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: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -156.660541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.660541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.705525 (E_RNA)
where:
Base-Base interactions energy: -90.529
where: short stacking energy: -50.787
Base-Backbone interact. energy: -0.094
local terms energy: -66.082545
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -10.342
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: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -237.042270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.042270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.180362 (E_RNA)
where:
Base-Base interactions energy: -153.076
where: short stacking energy: -89.163
Base-Backbone interact. energy: -0.015
local terms energy: -85.089206
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -22.529
Dist. restrs. and SS energy: 1.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -227.426281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.426281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.041954 (E_RNA)
where:
Base-Base interactions energy: -146.247
where: short stacking energy: -66.350
Base-Backbone interact. energy: -0.523
local terms energy: -81.271795
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -227.681171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.681171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.589586 (E_RNA)
where:
Base-Base interactions energy: -150.199
where: short stacking energy: -79.524
Base-Backbone interact. energy: -0.633
local terms energy: -78.757766
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -23.063
Dist. restrs. and SS energy: 1.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -193.592744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.592744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.715431 (E_RNA)
where:
Base-Base interactions energy: -113.304
where: short stacking energy: -70.454
Base-Backbone interact. energy: -0.047
local terms energy: -80.363866
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -210.528316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.528316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.532451 (E_RNA)
where:
Base-Base interactions energy: -135.289
where: short stacking energy: -74.617
Base-Backbone interact. energy: -0.001
local terms energy: -75.243032
where:
bonds (distance) C4'-P energy: -17.190
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -16.232
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: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -186.465668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.465668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.487560 (E_RNA)
where:
Base-Base interactions energy: -117.280
where: short stacking energy: -65.478
Base-Backbone interact. energy: 1.367
local terms energy: -70.574164
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -17.174
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -180.174136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.174136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.746113 (E_RNA)
where:
Base-Base interactions energy: -116.712
where: short stacking energy: -70.390
Base-Backbone interact. energy: -0.941
local terms energy: -64.093473
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -15.460
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 1.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -168.944175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.944175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.061992 (E_RNA)
where:
Base-Base interactions energy: -104.210
where: short stacking energy: -63.196
Base-Backbone interact. energy: -0.502
local terms energy: -64.350059
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -15.017
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: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -153.737363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.737363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.985187 (E_RNA)
where:
Base-Base interactions energy: -91.298
where: short stacking energy: -46.955
Base-Backbone interact. energy: -0.476
local terms energy: -62.211105
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -9.304
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: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -146.775015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.775015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.826759 (E_RNA)
where:
Base-Base interactions energy: -90.579
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.372
local terms energy: -55.875100
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -11.690
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: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -235.555526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.555526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.575571 (E_RNA)
where:
Base-Base interactions energy: -151.886
where: short stacking energy: -82.906
Base-Backbone interact. energy: -0.007
local terms energy: -83.682767
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -22.969
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: 89
Temperature: 0.950000
Total energy: -231.829247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.829247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.540461 (E_RNA)
where:
Base-Base interactions energy: -151.329
where: short stacking energy: -78.249
Base-Backbone interact. energy: -0.125
local terms energy: -81.086039
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.711 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -235.598819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.598819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.613908 (E_RNA)
where:
Base-Base interactions energy: -151.932
where: short stacking energy: -83.597
Base-Backbone interact. energy: -0.280
local terms energy: -83.401832
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -24.412
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: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -187.010050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.010050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.909369 (E_RNA)
where:
Base-Base interactions energy: -121.330
where: short stacking energy: -60.130
Base-Backbone interact. energy: 2.877
local terms energy: -69.456502
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -167.877172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.877172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.481942 (E_RNA)
where:
Base-Base interactions energy: -99.860
where: short stacking energy: -53.905
Base-Backbone interact. energy: -0.266
local terms energy: -68.355916
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -166.800411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.800411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.964671 (E_RNA)
where:
Base-Base interactions energy: -98.836
where: short stacking energy: -50.721
Base-Backbone interact. energy: -0.434
local terms energy: -67.694964
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -11.607
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: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -173.681419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.681419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.140219 (E_RNA)
where:
Base-Base interactions energy: -107.835
where: short stacking energy: -48.119
Base-Backbone interact. energy: -0.492
local terms energy: -65.812823
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -158.981384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.981384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.057684 (E_RNA)
where:
Base-Base interactions energy: -95.902
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.656
local terms energy: -62.499494
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -14.117
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: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -167.962957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.962957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.962957 (E_RNA)
where:
Base-Base interactions energy: -103.989
where: short stacking energy: -49.773
Base-Backbone interact. energy: -0.045
local terms energy: -63.928694
where:
bonds (distance) C4'-P energy: -10.463
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (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: 89
Temperature: 1.350000
Total energy: -151.661448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.661448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.035582 (E_RNA)
where:
Base-Base interactions energy: -84.557
where: short stacking energy: -49.731
Base-Backbone interact. energy: -0.053
local terms energy: -67.424809
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -248.682473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.682473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.682473 (E_RNA)
where:
Base-Base interactions energy: -164.980
where: short stacking energy: -80.013
Base-Backbone interact. energy: -0.008
local terms energy: -83.694941
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: -0.000 (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: 90
Temperature: 0.950000
Total energy: -234.176123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.176123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.476303 (E_RNA)
where:
Base-Base interactions energy: -155.206
where: short stacking energy: -76.761
Base-Backbone interact. energy: 0.353
local terms energy: -79.624035
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -22.168
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: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -236.091353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.091353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.118131 (E_RNA)
where:
Base-Base interactions energy: -154.519
where: short stacking energy: -86.136
Base-Backbone interact. energy: -0.413
local terms energy: -81.186563
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -20.698
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: 90
Temperature: 1.050000
Total energy: -185.802238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.802238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.903597 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -67.023
Base-Backbone interact. energy: -0.645
local terms energy: -67.858614
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -4.273
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -194.295136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.295136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.245243 (E_RNA)
where:
Base-Base interactions energy: -122.240
where: short stacking energy: -73.951
Base-Backbone interact. energy: -0.014
local terms energy: -72.990497
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -180.525922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.525922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.569504 (E_RNA)
where:
Base-Base interactions energy: -108.392
where: short stacking energy: -62.372
Base-Backbone interact. energy: -0.401
local terms energy: -71.776177
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -14.656
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: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -189.643623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.643623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.676465 (E_RNA)
where:
Base-Base interactions energy: -117.176
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.047
local terms energy: -72.453757
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -15.194
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: 90
Temperature: 1.250000
Total energy: -153.942446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.942446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.992345 (E_RNA)
where:
Base-Base interactions energy: -85.349
where: short stacking energy: -41.324
Base-Backbone interact. energy: -0.018
local terms energy: -68.624889
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -14.355
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: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -156.610014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.610014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.749147 (E_RNA)
where:
Base-Base interactions energy: -102.369
where: short stacking energy: -62.139
Base-Backbone interact. energy: 0.672
local terms energy: -55.052234
where:
bonds (distance) C4'-P energy: -5.506
bonds (distance) P-C4' energy: -9.381
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -15.735
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: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -149.132450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.132450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.583710 (E_RNA)
where:
Base-Base interactions energy: -98.928
where: short stacking energy: -50.877
Base-Backbone interact. energy: 0.215
local terms energy: -50.870282
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -214.101018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.101018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.080218 (E_RNA)
where:
Base-Base interactions energy: -137.006
where: short stacking energy: -63.045
Base-Backbone interact. energy: -1.836
local terms energy: -76.237890
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -239.699240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.699240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.753070 (E_RNA)
where:
Base-Base interactions energy: -154.944
where: short stacking energy: -83.492
Base-Backbone interact. energy: -0.000
local terms energy: -84.808768
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -24.500
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: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -206.529452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.529452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.867894 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -68.937
Base-Backbone interact. energy: 0.715
local terms energy: -76.247617
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 1.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -190.998777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.998777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.087352 (E_RNA)
where:
Base-Base interactions energy: -120.243
where: short stacking energy: -73.459
Base-Backbone interact. energy: -0.983
local terms energy: -70.861460
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 1.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -181.685562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.685562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.701479 (E_RNA)
where:
Base-Base interactions energy: -114.997
where: short stacking energy: -71.454
Base-Backbone interact. energy: 2.226
local terms energy: -68.930303
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -12.480
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -212.257487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.257487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.305543 (E_RNA)
where:
Base-Base interactions energy: -138.872
where: short stacking energy: -75.514
Base-Backbone interact. energy: -0.595
local terms energy: -72.839193
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -18.021
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: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -151.818877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.818877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.117039 (E_RNA)
where:
Base-Base interactions energy: -95.049
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.213
local terms energy: -56.854757
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -3.782
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: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -163.060020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.060020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.454852 (E_RNA)
where:
Base-Base interactions energy: -104.682
where: short stacking energy: -54.595
Base-Backbone interact. energy: -0.250
local terms energy: -58.522697
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -11.670
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -174.660346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.660346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.716237 (E_RNA)
where:
Base-Base interactions energy: -115.932
where: short stacking energy: -48.441
Base-Backbone interact. energy: -1.413
local terms energy: -57.370598
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -12.303
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: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -147.109998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.109998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.258735 (E_RNA)
where:
Base-Base interactions energy: -95.928
where: short stacking energy: -51.767
Base-Backbone interact. energy: -0.003
local terms energy: -51.327827
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -9.467
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: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -237.976738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.976738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.013851 (E_RNA)
where:
Base-Base interactions energy: -153.977
where: short stacking energy: -86.734
Base-Backbone interact. energy: -0.000
local terms energy: -84.036221
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -21.996
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: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -206.476577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.476577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.543365 (E_RNA)
where:
Base-Base interactions energy: -126.955
where: short stacking energy: -70.719
Base-Backbone interact. energy: -0.091
local terms energy: -79.497324
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -20.645
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: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -207.569979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.569979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.480390 (E_RNA)
where:
Base-Base interactions energy: -129.389
where: short stacking energy: -66.666
Base-Backbone interact. energy: -0.011
local terms energy: -79.080222
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -221.267744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.267744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.302544 (E_RNA)
where:
Base-Base interactions energy: -144.254
where: short stacking energy: -71.255
Base-Backbone interact. energy: -0.315
local terms energy: -77.733565
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 1.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -181.906940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.906940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.253178 (E_RNA)
where:
Base-Base interactions energy: -119.289
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.112
local terms energy: -62.852353
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -13.565
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: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -165.243591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.243591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.251192 (E_RNA)
where:
Base-Base interactions energy: -109.130
where: short stacking energy: -58.955
Base-Backbone interact. energy: -0.246
local terms energy: -55.874428
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -8.089
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -10.364
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: 92
Temperature: 1.200000
Total energy: -164.726649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.726649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.022525 (E_RNA)
where:
Base-Base interactions energy: -102.375
where: short stacking energy: -51.535
Base-Backbone interact. energy: -0.826
local terms energy: -61.821558
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -11.329
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: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -164.242470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.242470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.255360 (E_RNA)
where:
Base-Base interactions energy: -100.643
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.032
local terms energy: -63.579720
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -9.964
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: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -170.468261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.468261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.480332 (E_RNA)
where:
Base-Base interactions energy: -104.576
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.952
local terms energy: -64.952116
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -14.672
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: 92
Temperature: 1.350000
Total energy: -158.013913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.013913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.014556 (E_RNA)
where:
Base-Base interactions energy: -93.685
where: short stacking energy: -54.610
Base-Backbone interact. energy: -1.982
local terms energy: -62.347924
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -9.636
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: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -240.887322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.887322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.938053 (E_RNA)
where:
Base-Base interactions energy: -158.975
where: short stacking energy: -92.596
Base-Backbone interact. energy: -0.001
local terms energy: -81.962389
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -18.206
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -19.877
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: 93
Temperature: 0.950000
Total energy: -214.898724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.898724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.918437 (E_RNA)
where:
Base-Base interactions energy: -136.176
where: short stacking energy: -72.587
Base-Backbone interact. energy: -0.239
local terms energy: -78.503427
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -19.963
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: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -233.340248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.340248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.350772 (E_RNA)
where:
Base-Base interactions energy: -151.810
where: short stacking energy: -78.415
Base-Backbone interact. energy: -0.013
local terms energy: -81.527497
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -20.656
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: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -229.452904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.452904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.476020 (E_RNA)
where:
Base-Base interactions energy: -150.662
where: short stacking energy: -76.818
Base-Backbone interact. energy: -0.009
local terms energy: -78.805127
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -22.198
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: 93
Temperature: 1.100000
Total energy: -198.182222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.182222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.418990 (E_RNA)
where:
Base-Base interactions energy: -122.947
where: short stacking energy: -74.740
Base-Backbone interact. energy: -0.001
local terms energy: -75.470880
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -19.407
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: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -182.954967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.954967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.954967 (E_RNA)
where:
Base-Base interactions energy: -113.368
where: short stacking energy: -74.019
Base-Backbone interact. energy: -0.000
local terms energy: -69.586275
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: -0.000 (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: 93
Temperature: 1.200000
Total energy: -158.789835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.789835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.045763 (E_RNA)
where:
Base-Base interactions energy: -100.988
where: short stacking energy: -62.516
Base-Backbone interact. energy: 1.737
local terms energy: -59.795140
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -8.177
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: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -165.001351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.001351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.152338 (E_RNA)
where:
Base-Base interactions energy: -120.496
where: short stacking energy: -65.285
Base-Backbone interact. energy: 0.453
local terms energy: -45.108461
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -7.672
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -11.395
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: 9, replica: 4
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -149.097572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.097572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.113545 (E_RNA)
where:
Base-Base interactions energy: -88.830
where: short stacking energy: -51.938
Base-Backbone interact. energy: 0.615
local terms energy: -60.898769
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -8.975
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: 93
Temperature: 1.350000
Total energy: -151.712351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.712351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.753249 (E_RNA)
where:
Base-Base interactions energy: -96.535
where: short stacking energy: -40.419
Base-Backbone interact. energy: -0.270
local terms energy: -54.948673
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -4.149
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: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -245.482399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.482399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.482399 (E_RNA)
where:
Base-Base interactions energy: -160.411
where: short stacking energy: -82.615
Base-Backbone interact. energy: -0.492
local terms energy: -84.580045
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -22.001
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: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -235.427310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.427310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.548400 (E_RNA)
where:
Base-Base interactions energy: -157.475
where: short stacking energy: -64.908
Base-Backbone interact. energy: -0.022
local terms energy: -79.051250
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 1.121 (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: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -234.193221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.193221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.272702 (E_RNA)
where:
Base-Base interactions energy: -149.347
where: short stacking energy: -84.192
Base-Backbone interact. energy: -0.009
local terms energy: -84.917003
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -190.364428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.364428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.787690 (E_RNA)
where:
Base-Base interactions energy: -129.132
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.168
local terms energy: -62.487848
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 1.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -189.013600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.013600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.208988 (E_RNA)
where:
Base-Base interactions energy: -126.971
where: short stacking energy: -67.311
Base-Backbone interact. energy: -0.005
local terms energy: -62.233660
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -15.095
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: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -161.175238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.175238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.890447 (E_RNA)
where:
Base-Base interactions energy: -102.373
where: short stacking energy: -58.955
Base-Backbone interact. energy: -0.901
local terms energy: -59.616528
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 1.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -173.806026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.806026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.815843 (E_RNA)
where:
Base-Base interactions energy: -107.677
where: short stacking energy: -59.320
Base-Backbone interact. energy: -0.479
local terms energy: -65.659779
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -11.905
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: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -165.072169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.072169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.110672 (E_RNA)
where:
Base-Base interactions energy: -108.516
where: short stacking energy: -57.489
Base-Backbone interact. energy: -0.181
local terms energy: -56.414030
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -14.515
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: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -157.401423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.401423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.567596 (E_RNA)
where:
Base-Base interactions energy: -90.332
where: short stacking energy: -54.798
Base-Backbone interact. energy: -0.170
local terms energy: -67.065532
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -13.178
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: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -148.516375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.516375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.615367 (E_RNA)
where:
Base-Base interactions energy: -91.812
where: short stacking energy: -47.715
Base-Backbone interact. energy: 0.825
local terms energy: -57.627996
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -6.929
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: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -243.416782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.416782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.566399 (E_RNA)
where:
Base-Base interactions energy: -154.673
where: short stacking energy: -84.896
Base-Backbone interact. energy: -0.003
local terms energy: -88.890296
where:
bonds (distance) C4'-P energy: -16.942
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -23.146
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: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -232.019324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.019324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.243831 (E_RNA)
where:
Base-Base interactions energy: -159.555
where: short stacking energy: -72.927
Base-Backbone interact. energy: -0.084
local terms energy: -73.604807
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 1.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -221.986957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.986957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.056088 (E_RNA)
where:
Base-Base interactions energy: -146.435
where: short stacking energy: -80.272
Base-Backbone interact. energy: -0.002
local terms energy: -76.619045
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 1.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -221.135071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.135071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.327023 (E_RNA)
where:
Base-Base interactions energy: -147.170
where: short stacking energy: -79.869
Base-Backbone interact. energy: -0.101
local terms energy: -75.056412
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 1.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -204.840738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.840738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.245950 (E_RNA)
where:
Base-Base interactions energy: -131.661
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.623
local terms energy: -72.961428
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -173.630336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.630336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.762842 (E_RNA)
where:
Base-Base interactions energy: -104.334
where: short stacking energy: -59.437
Base-Backbone interact. energy: 0.081
local terms energy: -69.509101
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -11.116
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: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -161.210942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.210942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.490982 (E_RNA)
where:
Base-Base interactions energy: -99.418
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.281
local terms energy: -61.791423
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -169.076633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.076633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.396230 (E_RNA)
where:
Base-Base interactions energy: -106.095
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.070
local terms energy: -63.231621
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: -10.171
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: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -142.265776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.265776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.557384 (E_RNA)
where:
Base-Base interactions energy: -81.692
where: short stacking energy: -41.794
Base-Backbone interact. energy: 0.206
local terms energy: -61.071203
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -4.829
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: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -141.242259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.242259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.242259 (E_RNA)
where:
Base-Base interactions energy: -81.207
where: short stacking energy: -36.129
Base-Backbone interact. energy: -0.453
local terms energy: -59.582176
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: -0.000 (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: 96
Temperature: 0.900000
Total energy: -236.586706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.586706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.999063 (E_RNA)
where:
Base-Base interactions energy: -159.230
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.076
local terms energy: -77.693193
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -18.569
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: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -231.203124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.203124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.138946 (E_RNA)
where:
Base-Base interactions energy: -158.318
where: short stacking energy: -84.712
Base-Backbone interact. energy: 3.121
local terms energy: -76.941725
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -18.833
Dist. restrs. and SS energy: 0.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -210.107242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.107242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.276578 (E_RNA)
where:
Base-Base interactions energy: -136.966
where: short stacking energy: -76.106
Base-Backbone interact. energy: -0.099
local terms energy: -73.211642
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -20.996
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: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -218.739926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.746745 (E_RNA)
where:
Base-Base interactions energy: -138.657
where: short stacking energy: -76.393
Base-Backbone interact. energy: -1.794
local terms energy: -78.294807
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -21.465
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: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -188.198537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.198537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.247892 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.011
local terms energy: -72.136357
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -16.829
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: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -182.955048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.955048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.035294 (E_RNA)
where:
Base-Base interactions energy: -115.462
where: short stacking energy: -75.131
Base-Backbone interact. energy: -0.017
local terms energy: -67.556519
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -14.725
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: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -178.051140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.051140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.307426 (E_RNA)
where:
Base-Base interactions energy: -106.002
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.613
local terms energy: -71.691787
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -20.511
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: 8, replica: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -157.640033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.640033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.168489 (E_RNA)
where:
Base-Base interactions energy: -100.028
where: short stacking energy: -43.426
Base-Backbone interact. energy: -0.147
local terms energy: -57.992731
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -154.671693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.671693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.048229 (E_RNA)
where:
Base-Base interactions energy: -104.692
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.371
local terms energy: -49.985215
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -8.228
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -12.163
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: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -156.246321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.246321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.079778 (E_RNA)
where:
Base-Base interactions energy: -94.353
where: short stacking energy: -57.121
Base-Backbone interact. energy: -0.012
local terms energy: -62.714586
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -244.026011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.026011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.941198 (E_RNA)
where:
Base-Base interactions energy: -160.959
where: short stacking energy: -62.855
Base-Backbone interact. energy: -0.107
local terms energy: -84.874721
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -19.598
Dist. restrs. and SS energy: 1.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -227.582122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.582122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.763859 (E_RNA)
where:
Base-Base interactions energy: -153.471
where: short stacking energy: -79.680
Base-Backbone interact. energy: -0.000
local terms energy: -75.292194
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 1.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -227.659459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.659459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.200690 (E_RNA)
where:
Base-Base interactions energy: -146.953
where: short stacking energy: -76.258
Base-Backbone interact. energy: -1.809
local terms energy: -79.438462
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -221.015747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.015747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.728992 (E_RNA)
where:
Base-Base interactions energy: -149.334
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.172
local terms energy: -72.222771
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -23.053
Dist. restrs. and SS energy: 0.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -191.525948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.525948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.216314 (E_RNA)
where:
Base-Base interactions energy: -116.722
where: short stacking energy: -73.314
Base-Backbone interact. energy: -0.790
local terms energy: -74.704143
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -170.050841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.050841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.119148 (E_RNA)
where:
Base-Base interactions energy: -98.664
where: short stacking energy: -55.813
Base-Backbone interact. energy: -0.122
local terms energy: -71.333332
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -12.897
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: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -161.812965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.812965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.410478 (E_RNA)
where:
Base-Base interactions energy: -103.673
where: short stacking energy: -54.825
Base-Backbone interact. energy: -1.177
local terms energy: -57.560283
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -164.105966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.105966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.180896 (E_RNA)
where:
Base-Base interactions energy: -98.831
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.174
local terms energy: -65.175576
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -11.003
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: 97
Temperature: 1.300000
Total energy: -152.978540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.978540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.034926 (E_RNA)
where:
Base-Base interactions energy: -89.046
where: short stacking energy: -45.978
Base-Backbone interact. energy: -0.029
local terms energy: -63.959370
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -12.897
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: 97
Temperature: 1.350000
Total energy: -154.690263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.690263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.810825 (E_RNA)
where:
Base-Base interactions energy: -95.033
where: short stacking energy: -49.466
Base-Backbone interact. energy: -0.437
local terms energy: -59.340288
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -3.660
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: 98
Temperature: 0.900000
Total energy: -244.465633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.465633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.445085 (E_RNA)
where:
Base-Base interactions energy: -164.318
where: short stacking energy: -88.599
Base-Backbone interact. energy: -0.000
local terms energy: -81.126748
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -22.125
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -238.360881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.360881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.366187 (E_RNA)
where:
Base-Base interactions energy: -158.335
where: short stacking energy: -69.207
Base-Backbone interact. energy: -0.074
local terms energy: -79.957552
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -20.598
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: 98
Temperature: 1.000000
Total energy: -231.650986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.650986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.667969 (E_RNA)
where:
Base-Base interactions energy: -159.084
where: short stacking energy: -86.351
Base-Backbone interact. energy: -0.007
local terms energy: -73.577266
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -23.019
Dist. restrs. and SS energy: 1.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -214.373545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.373545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.851192 (E_RNA)
where:
Base-Base interactions energy: -133.099
where: short stacking energy: -65.240
Base-Backbone interact. energy: -0.293
local terms energy: -83.459535
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 2.478 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -184.320928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.320928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.452278 (E_RNA)
where:
Base-Base interactions energy: -114.025
where: short stacking energy: -78.034
Base-Backbone interact. energy: -0.597
local terms energy: -69.830055
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -17.203
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: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -188.667916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.667916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.760758 (E_RNA)
where:
Base-Base interactions energy: -120.006
where: short stacking energy: -64.556
Base-Backbone interact. energy: 1.515
local terms energy: -70.269360
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -12.776
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: 4
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -165.267586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.267586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.273004 (E_RNA)
where:
Base-Base interactions energy: -114.086
where: short stacking energy: -54.260
Base-Backbone interact. energy: -0.050
local terms energy: -51.137147
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -7.643
flat angles P-C4'-P energy: -7.480
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: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -167.743170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.743170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.768814 (E_RNA)
where:
Base-Base interactions energy: -107.758
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.001
local terms energy: -60.009670
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -17.306
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -16.568
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: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -162.344104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.344104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.365083 (E_RNA)
where:
Base-Base interactions energy: -95.700
where: short stacking energy: -54.657
Base-Backbone interact. energy: -0.127
local terms energy: -66.538527
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -11.917
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: 98
Temperature: 1.350000
Total energy: -135.098567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.098567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.047793 (E_RNA)
where:
Base-Base interactions energy: -82.796
where: short stacking energy: -44.128
Base-Backbone interact. energy: -0.175
local terms energy: -57.076355
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 4.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -234.458870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.458870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.675566 (E_RNA)
where:
Base-Base interactions energy: -147.904
where: short stacking energy: -83.491
Base-Backbone interact. energy: -0.002
local terms energy: -87.769368
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -22.865
Dist. restrs. and SS energy: 1.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -230.894653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.894653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.615682 (E_RNA)
where:
Base-Base interactions energy: -153.308
where: short stacking energy: -81.073
Base-Backbone interact. energy: -0.284
local terms energy: -79.023858
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 1.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -243.516568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.516568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.580742 (E_RNA)
where:
Base-Base interactions energy: -164.815
where: short stacking energy: -76.371
Base-Backbone interact. energy: -0.423
local terms energy: -78.343170
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -17.141
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: 99
Temperature: 1.050000
Total energy: -176.576531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.576531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.628061 (E_RNA)
where:
Base-Base interactions energy: -106.510
where: short stacking energy: -64.481
Base-Backbone interact. energy: -0.199
local terms energy: -69.919123
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -15.661
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: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -202.952597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.952597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.043019 (E_RNA)
where:
Base-Base interactions energy: -123.422
where: short stacking energy: -70.820
Base-Backbone interact. energy: -1.230
local terms energy: -78.390950
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -182.429070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.429070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.442489 (E_RNA)
where:
Base-Base interactions energy: -107.983
where: short stacking energy: -53.906
Base-Backbone interact. energy: -0.650
local terms energy: -73.808656
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -10.842
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: 4
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -164.721661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.721661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.799818 (E_RNA)
where:
Base-Base interactions energy: -98.567
where: short stacking energy: -55.514
Base-Backbone interact. energy: -0.425
local terms energy: -65.807008
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -8.599
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: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -169.918642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.918642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.109973 (E_RNA)
where:
Base-Base interactions energy: -102.734
where: short stacking energy: -63.354
Base-Backbone interact. energy: -0.089
local terms energy: -67.286822
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -16.261
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: 9, replica: 7
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -160.746828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.746828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.115410 (E_RNA)
where:
Base-Base interactions energy: -98.087
where: short stacking energy: -49.748
Base-Backbone interact. energy: -0.195
local terms energy: -63.834097
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -12.280
Dist. restrs. and SS energy: 1.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -151.358189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.358189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.684506 (E_RNA)
where:
Base-Base interactions energy: -96.958
where: short stacking energy: -55.845
Base-Backbone interact. energy: -0.087
local terms energy: -54.639698
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -6.622
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -238.476080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.476080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.703374 (E_RNA)
where:
Base-Base interactions energy: -162.967
where: short stacking energy: -79.684
Base-Backbone interact. energy: -0.001
local terms energy: -77.736025
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -22.829
Dist. restrs. and SS energy: 2.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -231.340363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.340363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.813736 (E_RNA)
where:
Base-Base interactions energy: -146.453
where: short stacking energy: -79.661
Base-Backbone interact. energy: -0.895
local terms energy: -84.465639
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -240.018108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.018108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.741724 (E_RNA)
where:
Base-Base interactions energy: -160.462
where: short stacking energy: -68.805
Base-Backbone interact. energy: -0.085
local terms energy: -80.194556
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -19.645
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: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -182.541348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.541348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.916287 (E_RNA)
where:
Base-Base interactions energy: -112.615
where: short stacking energy: -68.271
Base-Backbone interact. energy: -0.023
local terms energy: -70.277852
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -179.723849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.723849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.723849 (E_RNA)
where:
Base-Base interactions energy: -114.845
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.104
local terms energy: -64.775285
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: -0.000 (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: 100
Temperature: 1.150000
Total energy: -179.139490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.139490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.213347 (E_RNA)
where:
Base-Base interactions energy: -108.736
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.680
local terms energy: -69.797583
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -15.464
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: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -171.021982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.021982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.137769 (E_RNA)
where:
Base-Base interactions energy: -107.164
where: short stacking energy: -71.577
Base-Backbone interact. energy: 2.065
local terms energy: -66.039000
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -12.917
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: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -165.081763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.081763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.113336 (E_RNA)
where:
Base-Base interactions energy: -102.086
where: short stacking energy: -62.750
Base-Backbone interact. energy: -0.096
local terms energy: -62.931612
where:
bonds (distance) C4'-P energy: -10.283
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -12.524
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: 100
Temperature: 1.300000
Total energy: -159.653561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.653561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.912078 (E_RNA)
where:
Base-Base interactions energy: -94.597
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.077
local terms energy: -65.238980
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -11.916
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: 7
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -146.814918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.814918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.935938 (E_RNA)
where:
Base-Base interactions energy: -86.461
where: short stacking energy: -47.985
Base-Backbone interact. energy: -0.335
local terms energy: -60.140155
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -9.654
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -241.193545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.193545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.380849 (E_RNA)
where:
Base-Base interactions energy: -157.745
where: short stacking energy: -81.695
Base-Backbone interact. energy: -0.478
local terms energy: -84.157941
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -23.245
Dist. restrs. and SS energy: 1.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -240.460547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.460547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.229837 (E_RNA)
where:
Base-Base interactions energy: -162.487
where: short stacking energy: -70.086
Base-Backbone interact. energy: -0.101
local terms energy: -78.641858
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -222.903048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.903048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.946448 (E_RNA)
where:
Base-Base interactions energy: -148.023
where: short stacking energy: -82.164
Base-Backbone interact. energy: -0.026
local terms energy: -75.897905
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 1.043 (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: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -194.392160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.392160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.811850 (E_RNA)
where:
Base-Base interactions energy: -121.657
where: short stacking energy: -72.109
Base-Backbone interact. energy: -0.014
local terms energy: -74.141094
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 1.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -180.311713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.311713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.348527 (E_RNA)
where:
Base-Base interactions energy: -111.829
where: short stacking energy: -62.674
Base-Backbone interact. energy: -0.134
local terms energy: -68.385820
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -13.628
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: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -212.458540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.458540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.842897 (E_RNA)
where:
Base-Base interactions energy: -136.952
where: short stacking energy: -73.980
Base-Backbone interact. energy: 0.953
local terms energy: -76.844434
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -21.813
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: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -170.086450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.086450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.621156 (E_RNA)
where:
Base-Base interactions energy: -108.868
where: short stacking energy: -61.546
Base-Backbone interact. energy: -0.019
local terms energy: -61.734292
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -11.778
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: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -159.503996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.503996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.907243 (E_RNA)
where:
Base-Base interactions energy: -97.124
where: short stacking energy: -58.944
Base-Backbone interact. energy: -0.085
local terms energy: -62.698935
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -8.656
Dist. restrs. and SS energy: 0.403 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -164.942501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.942501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.126730 (E_RNA)
where:
Base-Base interactions energy: -109.164
where: short stacking energy: -65.440
Base-Backbone interact. energy: -0.037
local terms energy: -55.925885
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -8.510
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -14.988
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: 7
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -158.923445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.923445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.139837 (E_RNA)
where:
Base-Base interactions energy: -90.612
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.057
local terms energy: -68.470575
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -235.427102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.427102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.613392 (E_RNA)
where:
Base-Base interactions energy: -152.308
where: short stacking energy: -80.344
Base-Backbone interact. energy: -0.001
local terms energy: -84.303992
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 1.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -239.740726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.740726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.423535 (E_RNA)
where:
Base-Base interactions energy: -159.985
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.098
local terms energy: -81.341338
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -21.111
Dist. restrs. and SS energy: 1.683 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -212.446349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.446349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.446349 (E_RNA)
where:
Base-Base interactions energy: -132.846
where: short stacking energy: -76.920
Base-Backbone interact. energy: -0.059
local terms energy: -79.541725
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -19.759
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: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -219.874616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.874616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.968145 (E_RNA)
where:
Base-Base interactions energy: -144.327
where: short stacking energy: -75.981
Base-Backbone interact. energy: -0.101
local terms energy: -75.540328
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -17.655
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: 102
Temperature: 1.100000
Total energy: -193.679848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.679848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.092610 (E_RNA)
where:
Base-Base interactions energy: -124.917
where: short stacking energy: -75.542
Base-Backbone interact. energy: 0.108
local terms energy: -69.283376
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: 0.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -174.170585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.170585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.457665 (E_RNA)
where:
Base-Base interactions energy: -102.389
where: short stacking energy: -55.433
Base-Backbone interact. energy: -1.285
local terms energy: -70.784175
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -15.633
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: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -167.883121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.883121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.986853 (E_RNA)
where:
Base-Base interactions energy: -106.222
where: short stacking energy: -63.655
Base-Backbone interact. energy: -0.350
local terms energy: -61.415228
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -12.711
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: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -167.873264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.873264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.052342 (E_RNA)
where:
Base-Base interactions energy: -99.331
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.137
local terms energy: -68.584436
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -18.222
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: 9, replica: 7
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -177.083595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.083595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.130099 (E_RNA)
where:
Base-Base interactions energy: -109.302
where: short stacking energy: -63.673
Base-Backbone interact. energy: -0.014
local terms energy: -67.814682
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -15.243
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: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -144.213949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.213949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.271541 (E_RNA)
where:
Base-Base interactions energy: -86.878
where: short stacking energy: -40.309
Base-Backbone interact. energy: -0.655
local terms energy: -56.738810
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -8.407
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: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -238.648717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.648717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.071271 (E_RNA)
where:
Base-Base interactions energy: -159.347
where: short stacking energy: -92.233
Base-Backbone interact. energy: -0.036
local terms energy: -79.688353
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -21.855
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -242.331658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.331658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.501626 (E_RNA)
where:
Base-Base interactions energy: -157.143
where: short stacking energy: -88.891
Base-Backbone interact. energy: -0.354
local terms energy: -85.003935
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -236.341328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.341328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.083567 (E_RNA)
where:
Base-Base interactions energy: -160.791
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.021
local terms energy: -77.272206
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 1.742 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -202.926039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.926039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.947907 (E_RNA)
where:
Base-Base interactions energy: -122.604
where: short stacking energy: -67.917
Base-Backbone interact. energy: -1.406
local terms energy: -78.938255
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -18.563
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: 103
Temperature: 1.100000
Total energy: -193.372245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.372245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.443784 (E_RNA)
where:
Base-Base interactions energy: -118.023
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.049
local terms energy: -76.371403
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 1.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -179.198043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.198043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.206137 (E_RNA)
where:
Base-Base interactions energy: -107.208
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.015
local terms energy: -71.983217
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -14.847
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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -158.551495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.551495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.728083 (E_RNA)
where:
Base-Base interactions energy: -99.511
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.019
local terms energy: -59.197412
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -10.635
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: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -188.058527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.058527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.058527 (E_RNA)
where:
Base-Base interactions energy: -119.661
where: short stacking energy: -58.133
Base-Backbone interact. energy: -0.009
local terms energy: -68.388586
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -17.044
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: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -160.030875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.030875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.351700 (E_RNA)
where:
Base-Base interactions energy: -96.920
where: short stacking energy: -57.769
Base-Backbone interact. energy: -0.032
local terms energy: -63.399035
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -146.541502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.541502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.721981 (E_RNA)
where:
Base-Base interactions energy: -93.487
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.708
local terms energy: -52.526615
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -7.214
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: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -241.738154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.738154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.788552 (E_RNA)
where:
Base-Base interactions energy: -152.821
where: short stacking energy: -85.198
Base-Backbone interact. energy: -0.007
local terms energy: -88.960564
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -22.002
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: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -224.825533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.825533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.234503 (E_RNA)
where:
Base-Base interactions energy: -149.584
where: short stacking energy: -79.962
Base-Backbone interact. energy: -0.001
local terms energy: -76.650335
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -233.066158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.066158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.096331 (E_RNA)
where:
Base-Base interactions energy: -152.363
where: short stacking energy: -76.792
Base-Backbone interact. energy: -0.226
local terms energy: -80.506745
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -22.047
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: 10
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -209.595901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.595901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.607457 (E_RNA)
where:
Base-Base interactions energy: -140.700
where: short stacking energy: -68.088
Base-Backbone interact. energy: -0.344
local terms energy: -70.563461
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 2.012 (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: 104
Temperature: 1.100000
Total energy: -178.118553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.118553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.755799 (E_RNA)
where:
Base-Base interactions energy: -118.169
where: short stacking energy: -64.122
Base-Backbone interact. energy: -0.021
local terms energy: -60.565674
where:
bonds (distance) C4'-P energy: -11.811
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.637 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -176.937953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.937953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.866308 (E_RNA)
where:
Base-Base interactions energy: -108.016
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.031
local terms energy: -69.819020
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -181.965359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.965359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.649657 (E_RNA)
where:
Base-Base interactions energy: -117.642
where: short stacking energy: -47.281
Base-Backbone interact. energy: 3.876
local terms energy: -68.883109
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -163.391237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.391237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.393902 (E_RNA)
where:
Base-Base interactions energy: -98.612
where: short stacking energy: -56.858
Base-Backbone interact. energy: -0.005
local terms energy: -64.777037
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -11.540
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: 104
Temperature: 1.300000
Total energy: -152.943633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.943633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.064851 (E_RNA)
where:
Base-Base interactions energy: -87.314
where: short stacking energy: -47.560
Base-Backbone interact. energy: -0.064
local terms energy: -65.686372
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -8.119
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: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -155.453262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.453262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.671818 (E_RNA)
where:
Base-Base interactions energy: -101.846
where: short stacking energy: -58.108
Base-Backbone interact. energy: -1.019
local terms energy: -53.806742
where:
bonds (distance) C4'-P energy: -6.306
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: 1.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -237.256013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.256013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.271483 (E_RNA)
where:
Base-Base interactions energy: -155.494
where: short stacking energy: -72.917
Base-Backbone interact. energy: -1.746
local terms energy: -80.031876
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -18.979
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: 105
Temperature: 0.950000
Total energy: -236.424228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.424228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.547342 (E_RNA)
where:
Base-Base interactions energy: -154.567
where: short stacking energy: -84.117
Base-Backbone interact. energy: -0.043
local terms energy: -81.937836
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -22.133
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -230.517745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.517745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.568834 (E_RNA)
where:
Base-Base interactions energy: -148.290
where: short stacking energy: -77.305
Base-Backbone interact. energy: 0.454
local terms energy: -83.732132
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 1.051 (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: 105
Temperature: 1.050000
Total energy: -177.682332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.682332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.851893 (E_RNA)
where:
Base-Base interactions energy: -110.218
where: short stacking energy: -71.935
Base-Backbone interact. energy: -0.577
local terms energy: -67.056698
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -183.098678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.098678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.805144 (E_RNA)
where:
Base-Base interactions energy: -115.135
where: short stacking energy: -56.019
Base-Backbone interact. energy: -0.010
local terms energy: -69.660032
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -15.464
Dist. restrs. and SS energy: 1.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -181.977515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.977515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.325780 (E_RNA)
where:
Base-Base interactions energy: -122.405
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.496
local terms energy: -60.424838
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 1.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -180.080602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.080602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.121473 (E_RNA)
where:
Base-Base interactions energy: -121.928
where: short stacking energy: -76.383
Base-Backbone interact. energy: 2.526
local terms energy: -60.718661
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -12.768
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: 8, replica: 4
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -171.279166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.279166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.440222 (E_RNA)
where:
Base-Base interactions energy: -110.103
where: short stacking energy: -58.777
Base-Backbone interact. energy: -0.188
local terms energy: -61.148915
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -10.555
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -11.980
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: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -158.382138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.382138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.460030 (E_RNA)
where:
Base-Base interactions energy: -91.737
where: short stacking energy: -50.077
Base-Backbone interact. energy: -0.044
local terms energy: -66.679064
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.870
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -11.388
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: 105
Temperature: 1.350000
Total energy: -145.902277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.902277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.922998 (E_RNA)
where:
Base-Base interactions energy: -96.542
where: short stacking energy: -46.408
Base-Backbone interact. energy: -0.039
local terms energy: -49.342475
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -5.318
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: 106
Temperature: 0.900000
Total energy: -240.587577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.587577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.596338 (E_RNA)
where:
Base-Base interactions energy: -158.505
where: short stacking energy: -85.979
Base-Backbone interact. energy: -0.099
local terms energy: -81.991651
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -21.372
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: 106
Temperature: 0.950000
Total energy: -230.672671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.672671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.844384 (E_RNA)
where:
Base-Base interactions energy: -148.920
where: short stacking energy: -78.949
Base-Backbone interact. energy: -0.514
local terms energy: -81.410527
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -19.293
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -21.269
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: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -216.208392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.208392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.723397 (E_RNA)
where:
Base-Base interactions energy: -144.119
where: short stacking energy: -71.275
Base-Backbone interact. energy: -0.008
local terms energy: -72.596187
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.515 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -189.290940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.415114 (E_RNA)
where:
Base-Base interactions energy: -121.311
where: short stacking energy: -56.639
Base-Backbone interact. energy: -1.509
local terms energy: -66.595589
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -11.602
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -176.374816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.374816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.384813 (E_RNA)
where:
Base-Base interactions energy: -100.955
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.969
local terms energy: -74.460160
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -13.774
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: 106
Temperature: 1.150000
Total energy: -175.793341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.793341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.880819 (E_RNA)
where:
Base-Base interactions energy: -107.498
where: short stacking energy: -65.152
Base-Backbone interact. energy: -0.677
local terms energy: -67.706237
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -181.579602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.579602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.059551 (E_RNA)
where:
Base-Base interactions energy: -115.740
where: short stacking energy: -63.313
Base-Backbone interact. energy: 1.110
local terms energy: -67.429555
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -14.189
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: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -145.818379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.818379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.818379 (E_RNA)
where:
Base-Base interactions energy: -89.769
where: short stacking energy: -41.205
Base-Backbone interact. energy: -0.362
local terms energy: -55.687765
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -3.561
Dist. restrs. and SS energy: -0.000 (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: 106
Temperature: 1.300000
Total energy: -164.639461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.639461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.734449 (E_RNA)
where:
Base-Base interactions energy: -99.339
where: short stacking energy: -52.458
Base-Backbone interact. energy: -0.258
local terms energy: -65.137282
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -14.577
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: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -158.605679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.605679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.614302 (E_RNA)
where:
Base-Base interactions energy: -95.017
where: short stacking energy: -56.567
Base-Backbone interact. energy: -1.508
local terms energy: -62.089274
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -15.854
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: 107
Temperature: 0.900000
Total energy: -236.781440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.781440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.915763 (E_RNA)
where:
Base-Base interactions energy: -155.786
where: short stacking energy: -77.326
Base-Backbone interact. energy: -0.014
local terms energy: -82.115867
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 1.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -211.662803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.662803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.696680 (E_RNA)
where:
Base-Base interactions energy: -129.811
where: short stacking energy: -78.775
Base-Backbone interact. energy: -0.039
local terms energy: -81.845793
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -22.742
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: 107
Temperature: 1.000000
Total energy: -233.941726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.941726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.037153 (E_RNA)
where:
Base-Base interactions energy: -156.424
where: short stacking energy: -79.105
Base-Backbone interact. energy: -0.030
local terms energy: -77.582998
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -189.333597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.333597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.398865 (E_RNA)
where:
Base-Base interactions energy: -111.274
where: short stacking energy: -66.233
Base-Backbone interact. energy: -0.576
local terms energy: -77.549497
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -19.772
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: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -177.252717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.252717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.323256 (E_RNA)
where:
Base-Base interactions energy: -101.070
where: short stacking energy: -62.306
Base-Backbone interact. energy: -0.109
local terms energy: -76.143401
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -14.006
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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -199.031479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.031479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.349637 (E_RNA)
where:
Base-Base interactions energy: -121.609
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.018
local terms energy: -77.722250
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.318 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -165.925415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.925415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.956190 (E_RNA)
where:
Base-Base interactions energy: -99.951
where: short stacking energy: -59.690
Base-Backbone interact. energy: 0.341
local terms energy: -66.346422
where:
bonds (distance) C4'-P energy: -9.066
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -11.667
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: 107
Temperature: 1.250000
Total energy: -178.805720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.805720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.906376 (E_RNA)
where:
Base-Base interactions energy: -112.432
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.564
local terms energy: -65.910069
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -16.401
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: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -154.136144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.136144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.272915 (E_RNA)
where:
Base-Base interactions energy: -91.621
where: short stacking energy: -47.757
Base-Backbone interact. energy: -0.930
local terms energy: -61.721501
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -9.726
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: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -154.128684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.128684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.128684 (E_RNA)
where:
Base-Base interactions energy: -91.878
where: short stacking energy: -48.558
Base-Backbone interact. energy: -0.420
local terms energy: -61.830612
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: -0.000 (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: 108
Temperature: 0.900000
Total energy: -235.665288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.665288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.909393 (E_RNA)
where:
Base-Base interactions energy: -155.096
where: short stacking energy: -87.575
Base-Backbone interact. energy: -0.019
local terms energy: -80.794886
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -21.379
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: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -233.939242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.939242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.195560 (E_RNA)
where:
Base-Base interactions energy: -153.692
where: short stacking energy: -83.591
Base-Backbone interact. energy: -0.462
local terms energy: -81.042180
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -14.268
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 1.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -227.813358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.813358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.865046 (E_RNA)
where:
Base-Base interactions energy: -152.639
where: short stacking energy: -85.317
Base-Backbone interact. energy: -0.528
local terms energy: -74.697739
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -23.325
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: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -202.265979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.265979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.306237 (E_RNA)
where:
Base-Base interactions energy: -138.060
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.479
local terms energy: -63.767988
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -18.365
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: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -211.609737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.609737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.619792 (E_RNA)
where:
Base-Base interactions energy: -137.057
where: short stacking energy: -73.670
Base-Backbone interact. energy: -0.576
local terms energy: -73.986005
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -19.382
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: 108
Temperature: 1.150000
Total energy: -168.859660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.859660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.024635 (E_RNA)
where:
Base-Base interactions energy: -102.653
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.522
local terms energy: -65.849708
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -165.667205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.667205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.673368 (E_RNA)
where:
Base-Base interactions energy: -99.549
where: short stacking energy: -63.595
Base-Backbone interact. energy: 0.756
local terms energy: -66.880674
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -10.846
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: 108
Temperature: 1.250000
Total energy: -163.779252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.779252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.218365 (E_RNA)
where:
Base-Base interactions energy: -96.247
where: short stacking energy: -54.744
Base-Backbone interact. energy: -0.272
local terms energy: -67.698727
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -13.273
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.439 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -159.325459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.325459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.454339 (E_RNA)
where:
Base-Base interactions energy: -99.816
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.733
local terms energy: -58.905039
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -9.669
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: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -148.987631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.987631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.245882 (E_RNA)
where:
Base-Base interactions energy: -91.912
where: short stacking energy: -45.327
Base-Backbone interact. energy: -0.178
local terms energy: -57.156688
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -5.488
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: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -241.399326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.399326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.504017 (E_RNA)
where:
Base-Base interactions energy: -154.310
where: short stacking energy: -80.639
Base-Backbone interact. energy: -0.009
local terms energy: -87.184974
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -232.851657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.851657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.005181 (E_RNA)
where:
Base-Base interactions energy: -147.130
where: short stacking energy: -79.008
Base-Backbone interact. energy: -0.176
local terms energy: -85.699747
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -20.308
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: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -231.364456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.364456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.317829 (E_RNA)
where:
Base-Base interactions energy: -147.476
where: short stacking energy: -71.969
Base-Backbone interact. energy: -0.695
local terms energy: -84.146884
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -18.546
Dist. restrs. and SS energy: 0.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -211.228834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.228834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.375241 (E_RNA)
where:
Base-Base interactions energy: -139.839
where: short stacking energy: -71.599
Base-Backbone interact. energy: -0.000
local terms energy: -72.536438
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 1.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -212.647521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.647521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.510475 (E_RNA)
where:
Base-Base interactions energy: -134.950
where: short stacking energy: -72.283
Base-Backbone interact. energy: -0.472
local terms energy: -78.088707
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -168.337340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.337340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.817394 (E_RNA)
where:
Base-Base interactions energy: -103.985
where: short stacking energy: -66.817
Base-Backbone interact. energy: -0.470
local terms energy: -64.361421
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -15.832
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: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -158.255574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.255574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.288145 (E_RNA)
where:
Base-Base interactions energy: -98.492
where: short stacking energy: -62.391
Base-Backbone interact. energy: -0.172
local terms energy: -59.623846
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -11.168
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: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -160.819436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.819436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.819436 (E_RNA)
where:
Base-Base interactions energy: -105.729
where: short stacking energy: -64.588
Base-Backbone interact. energy: -0.094
local terms energy: -54.996402
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -6.882
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -151.979552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.979552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.075752 (E_RNA)
where:
Base-Base interactions energy: -97.764
where: short stacking energy: -52.260
Base-Backbone interact. energy: 0.535
local terms energy: -54.846833
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -7.893
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -8.554
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: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -148.433618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.433618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.490870 (E_RNA)
where:
Base-Base interactions energy: -88.905
where: short stacking energy: -52.014
Base-Backbone interact. energy: -1.269
local terms energy: -58.316156
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -8.691
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: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -231.980786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.980786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.954970 (E_RNA)
where:
Base-Base interactions energy: -153.010
where: short stacking energy: -87.924
Base-Backbone interact. energy: -0.001
local terms energy: -79.943640
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.974 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -218.289048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.289048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.295987 (E_RNA)
where:
Base-Base interactions energy: -142.312
where: short stacking energy: -86.493
Base-Backbone interact. energy: -1.502
local terms energy: -74.482043
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -19.219
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: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -228.756540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.756540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.432299 (E_RNA)
where:
Base-Base interactions energy: -151.848
where: short stacking energy: -77.711
Base-Backbone interact. energy: -0.017
local terms energy: -77.567433
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -20.540
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -224.309136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.309136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.972441 (E_RNA)
where:
Base-Base interactions energy: -154.051
where: short stacking energy: -79.290
Base-Backbone interact. energy: -0.005
local terms energy: -70.915961
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -20.280
Dist. restrs. and SS energy: 0.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -211.842467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.842467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.842467 (E_RNA)
where:
Base-Base interactions energy: -136.307
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.186
local terms energy: -75.349059
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (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: 110
Temperature: 1.150000
Total energy: -187.427273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.427273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.427662 (E_RNA)
where:
Base-Base interactions energy: -118.145
where: short stacking energy: -64.982
Base-Backbone interact. energy: -0.168
local terms energy: -69.114627
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (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: 110
Temperature: 1.200000
Total energy: -160.853238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.853238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.857053 (E_RNA)
where:
Base-Base interactions energy: -99.481
where: short stacking energy: -48.715
Base-Backbone interact. energy: -0.281
local terms energy: -61.095378
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -3.200
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: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -157.660192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.660192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.790757 (E_RNA)
where:
Base-Base interactions energy: -89.443
where: short stacking energy: -48.411
Base-Backbone interact. energy: -0.068
local terms energy: -68.280027
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -157.463793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.463793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.618097 (E_RNA)
where:
Base-Base interactions energy: -95.907
where: short stacking energy: -57.667
Base-Backbone interact. energy: -0.090
local terms energy: -61.621169
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -5.000
tors. eta vs tors. theta energy: -13.112
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -142.499937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.499937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.713031 (E_RNA)
where:
Base-Base interactions energy: -86.717
where: short stacking energy: -47.575
Base-Backbone interact. energy: -0.125
local terms energy: -55.870718
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -10.152
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: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -229.789562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.789562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.270620 (E_RNA)
where:
Base-Base interactions energy: -145.644
where: short stacking energy: -78.943
Base-Backbone interact. energy: -0.001
local terms energy: -85.626113
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 1.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -220.546550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.546550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.952280 (E_RNA)
where:
Base-Base interactions energy: -147.685
where: short stacking energy: -77.769
Base-Backbone interact. energy: -0.921
local terms energy: -72.346000
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -212.976538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.976538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.040010 (E_RNA)
where:
Base-Base interactions energy: -137.364
where: short stacking energy: -80.905
Base-Backbone interact. energy: -0.046
local terms energy: -75.629774
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -231.957942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.957942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.101483 (E_RNA)
where:
Base-Base interactions energy: -151.754
where: short stacking energy: -84.704
Base-Backbone interact. energy: -0.012
local terms energy: -82.334875
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -14.816
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 2.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -210.378945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.378945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.390980 (E_RNA)
where:
Base-Base interactions energy: -137.123
where: short stacking energy: -80.123
Base-Backbone interact. energy: -0.000
local terms energy: -73.267899
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -21.390
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: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -174.242144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.242144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.405401 (E_RNA)
where:
Base-Base interactions energy: -113.709
where: short stacking energy: -55.091
Base-Backbone interact. energy: -0.219
local terms energy: -60.477797
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -10.486
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: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -183.392912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.392912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.899483 (E_RNA)
where:
Base-Base interactions energy: -111.685
where: short stacking energy: -61.200
Base-Backbone interact. energy: -0.537
local terms energy: -71.677045
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -177.820889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.820889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.864153 (E_RNA)
where:
Base-Base interactions energy: -110.628
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.011
local terms energy: -67.224448
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -14.550
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: 111
Temperature: 1.300000
Total energy: -154.601780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.601780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.633897 (E_RNA)
where:
Base-Base interactions energy: -95.510
where: short stacking energy: -56.357
Base-Backbone interact. energy: -0.282
local terms energy: -58.841465
where:
bonds (distance) C4'-P energy: -8.654
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -11.157
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: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -150.902349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.902349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.915471 (E_RNA)
where:
Base-Base interactions energy: -92.007
where: short stacking energy: -47.702
Base-Backbone interact. energy: -2.375
local terms energy: -56.534039
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -8.536
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: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -240.431954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.431954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.574787 (E_RNA)
where:
Base-Base interactions energy: -154.229
where: short stacking energy: -84.426
Base-Backbone interact. energy: -0.003
local terms energy: -86.342330
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -23.733
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: 112
Temperature: 0.950000
Total energy: -229.749422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.749422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.950942 (E_RNA)
where:
Base-Base interactions energy: -155.184
where: short stacking energy: -74.827
Base-Backbone interact. energy: -0.009
local terms energy: -75.757625
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -10.607
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -208.609436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.609436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.421700 (E_RNA)
where:
Base-Base interactions energy: -124.721
where: short stacking energy: -76.885
Base-Backbone interact. energy: -0.430
local terms energy: -84.270106
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -224.674084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.674084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.132508 (E_RNA)
where:
Base-Base interactions energy: -150.518
where: short stacking energy: -87.259
Base-Backbone interact. energy: -0.002
local terms energy: -74.612433
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.458 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -222.717453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.717453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.368696 (E_RNA)
where:
Base-Base interactions energy: -149.873
where: short stacking energy: -74.579
Base-Backbone interact. energy: -0.001
local terms energy: -73.495088
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -173.300013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.300013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.754176 (E_RNA)
where:
Base-Base interactions energy: -101.364
where: short stacking energy: -60.560
Base-Backbone interact. energy: -0.042
local terms energy: -72.348231
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -183.672421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.672421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.765671 (E_RNA)
where:
Base-Base interactions energy: -115.237
where: short stacking energy: -68.005
Base-Backbone interact. energy: 1.358
local terms energy: -69.886504
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -169.511522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.511522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.747908 (E_RNA)
where:
Base-Base interactions energy: -103.771
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.709
local terms energy: -65.267262
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -11.741
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: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -148.157607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.157607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.157607 (E_RNA)
where:
Base-Base interactions energy: -97.571
where: short stacking energy: -41.534
Base-Backbone interact. energy: -0.171
local terms energy: -50.415207
where:
bonds (distance) C4'-P energy: -6.019
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -9.082
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: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -168.370464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.370464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.516801 (E_RNA)
where:
Base-Base interactions energy: -98.943
where: short stacking energy: -62.066
Base-Backbone interact. energy: -1.040
local terms energy: -68.533833
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -13.924
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: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -229.695410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.695410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.990881 (E_RNA)
where:
Base-Base interactions energy: -145.426
where: short stacking energy: -79.513
Base-Backbone interact. energy: -0.452
local terms energy: -85.112772
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 1.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -234.305399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.305399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.749104 (E_RNA)
where:
Base-Base interactions energy: -150.824
where: short stacking energy: -84.464
Base-Backbone interact. energy: -1.131
local terms energy: -83.793749
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 1.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -206.840655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.840655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.065941 (E_RNA)
where:
Base-Base interactions energy: -127.509
where: short stacking energy: -70.408
Base-Backbone interact. energy: -0.006
local terms energy: -79.550637
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -21.180
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: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -212.264983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.264983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.256528 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.019
local terms energy: -71.129325
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.992 (S_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: 113
Temperature: 1.100000
Total energy: -208.777321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.777321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.448178 (E_RNA)
where:
Base-Base interactions energy: -137.080
where: short stacking energy: -74.433
Base-Backbone interact. energy: -0.097
local terms energy: -73.270906
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -173.085434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.085434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.795747 (E_RNA)
where:
Base-Base interactions energy: -113.364
where: short stacking energy: -59.965
Base-Backbone interact. energy: 0.107
local terms energy: -60.538152
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: 0.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -175.962897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.962897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.359157 (E_RNA)
where:
Base-Base interactions energy: -109.186
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.311
local terms energy: -66.862056
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -12.352
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: 8, replica: 3
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -163.469291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.469291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.905984 (E_RNA)
where:
Base-Base interactions energy: -100.808
where: short stacking energy: -66.517
Base-Backbone interact. energy: 0.383
local terms energy: -63.480847
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -163.124033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.124033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.230197 (E_RNA)
where:
Base-Base interactions energy: -101.337
where: short stacking energy: -51.109
Base-Backbone interact. energy: -0.568
local terms energy: -61.325588
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -145.526493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.526493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.630157 (E_RNA)
where:
Base-Base interactions energy: -87.476
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.443
local terms energy: -57.710953
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -7.591
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: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -233.482371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.482371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.547581 (E_RNA)
where:
Base-Base interactions energy: -153.958
where: short stacking energy: -80.149
Base-Backbone interact. energy: -0.180
local terms energy: -79.409355
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -23.343
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: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -234.048798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.048798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.389907 (E_RNA)
where:
Base-Base interactions energy: -155.936
where: short stacking energy: -83.172
Base-Backbone interact. energy: -0.069
local terms energy: -79.385220
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -22.659
Dist. restrs. and SS energy: 1.341 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -232.159154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.159154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.257413 (E_RNA)
where:
Base-Base interactions energy: -152.991
where: short stacking energy: -84.162
Base-Backbone interact. energy: -0.464
local terms energy: -78.801915
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -23.014
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: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -187.240819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.240819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.256677 (E_RNA)
where:
Base-Base interactions energy: -123.970
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.101
local terms energy: -63.186511
where:
bonds (distance) C4'-P energy: -7.111
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -14.038
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: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -222.256617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.256617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.050550 (E_RNA)
where:
Base-Base interactions energy: -155.322
where: short stacking energy: -79.290
Base-Backbone interact. energy: -0.044
local terms energy: -68.684811
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -1.531
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 1.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -177.427701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.427701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.427701 (E_RNA)
where:
Base-Base interactions energy: -107.972
where: short stacking energy: -65.484
Base-Backbone interact. energy: -0.041
local terms energy: -69.414962
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (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: 114
Temperature: 1.200000
Total energy: -174.162704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.162704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.577046 (E_RNA)
where:
Base-Base interactions energy: -110.876
where: short stacking energy: -61.623
Base-Backbone interact. energy: -0.089
local terms energy: -63.611496
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -174.562037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.562037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.267707 (E_RNA)
where:
Base-Base interactions energy: -113.070
where: short stacking energy: -58.779
Base-Backbone interact. energy: -0.103
local terms energy: -62.094659
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -3.793
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -160.387792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.387792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.574541 (E_RNA)
where:
Base-Base interactions energy: -100.123
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.369
local terms energy: -60.082636
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -140.627385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.627385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.673405 (E_RNA)
where:
Base-Base interactions energy: -78.434
where: short stacking energy: -42.372
Base-Backbone interact. energy: -0.017
local terms energy: -62.221998
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -11.398
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: 115
Temperature: 0.900000
Total energy: -244.258682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.258682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.034268 (E_RNA)
where:
Base-Base interactions energy: -163.417
where: short stacking energy: -88.541
Base-Backbone interact. energy: -0.001
local terms energy: -81.616214
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.776 (S_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: 115
Temperature: 0.950000
Total energy: -210.946189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.946189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.453735 (E_RNA)
where:
Base-Base interactions energy: -140.650
where: short stacking energy: -79.265
Base-Backbone interact. energy: -0.065
local terms energy: -71.738229
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 1.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -231.542304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.542304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.734406 (E_RNA)
where:
Base-Base interactions energy: -152.930
where: short stacking energy: -82.597
Base-Backbone interact. energy: -1.251
local terms energy: -78.554198
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 1.192 (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: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -202.832080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.832080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.837159 (E_RNA)
where:
Base-Base interactions energy: -121.098
where: short stacking energy: -77.710
Base-Backbone interact. energy: -0.364
local terms energy: -81.375675
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -23.748
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: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -177.677033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.677033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.739695 (E_RNA)
where:
Base-Base interactions energy: -116.885
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.110
local terms energy: -61.744579
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 1.063 (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: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -168.476626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.476626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.505822 (E_RNA)
where:
Base-Base interactions energy: -98.518
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.014
local terms energy: -69.974279
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -10.628
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: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -183.041236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.041236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.069418 (E_RNA)
where:
Base-Base interactions energy: -114.255
where: short stacking energy: -67.447
Base-Backbone interact. energy: -0.001
local terms energy: -68.813413
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -14.433
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: 115
Temperature: 1.250000
Total energy: -158.505251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.505251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.820086 (E_RNA)
where:
Base-Base interactions energy: -92.318
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.244
local terms energy: -66.258010
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -180.121003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.121003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.257167 (E_RNA)
where:
Base-Base interactions energy: -115.657
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.030
local terms energy: -66.569623
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 2.136 (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: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -153.191739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.191739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.191739 (E_RNA)
where:
Base-Base interactions energy: -96.700
where: short stacking energy: -48.735
Base-Backbone interact. energy: 0.417
local terms energy: -56.908782
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: -0.000 (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: 116
Temperature: 0.900000
Total energy: -244.785982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.785982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.938777 (E_RNA)
where:
Base-Base interactions energy: -156.195
where: short stacking energy: -90.805
Base-Backbone interact. energy: -0.004
local terms energy: -89.740053
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 1.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -232.377899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.377899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.182170 (E_RNA)
where:
Base-Base interactions energy: -150.809
where: short stacking energy: -79.775
Base-Backbone interact. energy: 0.124
local terms energy: -82.497416
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -21.804
Dist. restrs. and SS energy: 0.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -229.657721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.657721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.304929 (E_RNA)
where:
Base-Base interactions energy: -148.101
where: short stacking energy: -80.544
Base-Backbone interact. energy: -0.038
local terms energy: -82.165776
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -10.558
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -220.025679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.025679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.336336 (E_RNA)
where:
Base-Base interactions energy: -140.906
where: short stacking energy: -83.478
Base-Backbone interact. energy: -0.085
local terms energy: -79.345052
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -22.981
Dist. restrs. and SS energy: 0.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -181.336506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.336506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.610801 (E_RNA)
where:
Base-Base interactions energy: -110.414
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.021
local terms energy: -71.176099
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -19.055
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: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -172.212774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.212774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.423369 (E_RNA)
where:
Base-Base interactions energy: -111.089
where: short stacking energy: -56.357
Base-Backbone interact. energy: -0.400
local terms energy: -60.934054
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -12.565
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: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -169.236227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.236227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.376696 (E_RNA)
where:
Base-Base interactions energy: -107.603
where: short stacking energy: -55.835
Base-Backbone interact. energy: -0.171
local terms energy: -61.602412
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -4.071
tors. eta vs tors. theta energy: -14.765
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: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -163.000225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.000225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.011851 (E_RNA)
where:
Base-Base interactions energy: -102.241
where: short stacking energy: -61.742
Base-Backbone interact. energy: -0.407
local terms energy: -60.363406
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -12.331
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: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -162.347285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.347285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.356944 (E_RNA)
where:
Base-Base interactions energy: -106.505
where: short stacking energy: -61.248
Base-Backbone interact. energy: -0.651
local terms energy: -55.200622
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -12.080
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: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -150.033364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.033364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.622189 (E_RNA)
where:
Base-Base interactions energy: -89.396
where: short stacking energy: -48.257
Base-Backbone interact. energy: -0.014
local terms energy: -61.213088
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -10.173
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -11.015
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -225.873750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.873750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.625462 (E_RNA)
where:
Base-Base interactions energy: -147.093
where: short stacking energy: -68.383
Base-Backbone interact. energy: -0.675
local terms energy: -78.856915
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -232.497732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.497732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.575156 (E_RNA)
where:
Base-Base interactions energy: -153.079
where: short stacking energy: -77.012
Base-Backbone interact. energy: -0.329
local terms energy: -79.167132
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -18.652
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: 1
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -233.420342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.420342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.420342 (E_RNA)
where:
Base-Base interactions energy: -157.764
where: short stacking energy: -91.134
Base-Backbone interact. energy: -0.061
local terms energy: -75.595356
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (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: 117
Temperature: 1.050000
Total energy: -204.690314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.690314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.631807 (E_RNA)
where:
Base-Base interactions energy: -132.949
where: short stacking energy: -77.366
Base-Backbone interact. energy: -0.011
local terms energy: -72.671473
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -15.255
Dist. restrs. and SS energy: 0.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -198.878896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.878896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.772846 (E_RNA)
where:
Base-Base interactions energy: -120.947
where: short stacking energy: -73.112
Base-Backbone interact. energy: -0.017
local terms energy: -78.809094
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -193.480477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.480477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.480477 (E_RNA)
where:
Base-Base interactions energy: -122.204
where: short stacking energy: -59.896
Base-Backbone interact. energy: 0.077
local terms energy: -71.354223
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -18.192
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: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -163.949173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.949173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.076268 (E_RNA)
where:
Base-Base interactions energy: -101.859
where: short stacking energy: -55.176
Base-Backbone interact. energy: -0.036
local terms energy: -62.181419
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -9.533
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: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -146.477102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.477102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.563670 (E_RNA)
where:
Base-Base interactions energy: -94.441
where: short stacking energy: -53.236
Base-Backbone interact. energy: -0.567
local terms energy: -51.555813
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -2.419
tors. eta vs tors. theta energy: -9.277
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: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -174.275111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.275111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.390220 (E_RNA)
where:
Base-Base interactions energy: -105.455
where: short stacking energy: -66.721
Base-Backbone interact. energy: -0.122
local terms energy: -68.812897
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -19.192
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: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -137.813547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.813547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.132529 (E_RNA)
where:
Base-Base interactions energy: -85.794
where: short stacking energy: -52.355
Base-Backbone interact. energy: -0.258
local terms energy: -53.080395
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 1.319 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -233.880655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.880655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.104793 (E_RNA)
where:
Base-Base interactions energy: -154.029
where: short stacking energy: -84.936
Base-Backbone interact. energy: -0.000
local terms energy: -81.075519
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 1.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -231.884885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.884885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.312876 (E_RNA)
where:
Base-Base interactions energy: -148.479
where: short stacking energy: -72.111
Base-Backbone interact. energy: -0.001
local terms energy: -83.832352
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -228.109363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.109363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.158616 (E_RNA)
where:
Base-Base interactions energy: -148.474
where: short stacking energy: -84.516
Base-Backbone interact. energy: -0.000
local terms energy: -79.683964
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -22.799
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: 118
Temperature: 1.050000
Total energy: -187.418989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.418989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.432785 (E_RNA)
where:
Base-Base interactions energy: -120.893
where: short stacking energy: -63.018
Base-Backbone interact. energy: -0.842
local terms energy: -65.697731
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -14.621
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: 118
Temperature: 1.100000
Total energy: -199.142242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.142242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.433441 (E_RNA)
where:
Base-Base interactions energy: -130.374
where: short stacking energy: -76.359
Base-Backbone interact. energy: -0.698
local terms energy: -69.360896
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 1.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -184.468517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.468517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.709353 (E_RNA)
where:
Base-Base interactions energy: -119.448
where: short stacking energy: -55.857
Base-Backbone interact. energy: -0.717
local terms energy: -65.544518
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -14.278
Dist. restrs. and SS energy: 1.241 (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: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -169.628910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.628910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.715405 (E_RNA)
where:
Base-Base interactions energy: -102.890
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.068
local terms energy: -66.757145
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -13.321
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: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -162.299524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.299524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.323305 (E_RNA)
where:
Base-Base interactions energy: -97.731
where: short stacking energy: -57.715
Base-Backbone interact. energy: -0.031
local terms energy: -64.560746
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -13.507
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: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -158.802307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.802307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.969680 (E_RNA)
where:
Base-Base interactions energy: -93.250
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.160
local terms energy: -65.559404
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -154.934061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.934061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.077202 (E_RNA)
where:
Base-Base interactions energy: -88.722
where: short stacking energy: -39.432
Base-Backbone interact. energy: -0.811
local terms energy: -65.544706
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -7.578
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: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -235.205931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.205931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.913798 (E_RNA)
where:
Base-Base interactions energy: -149.838
where: short stacking energy: -82.668
Base-Backbone interact. energy: -0.000
local terms energy: -86.075574
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -15.336
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.708 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -236.419809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.419809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.297939 (E_RNA)
where:
Base-Base interactions energy: -158.901
where: short stacking energy: -75.719
Base-Backbone interact. energy: -0.058
local terms energy: -78.338694
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.878 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -228.707614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.707614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.450190 (E_RNA)
where:
Base-Base interactions energy: -144.929
where: short stacking energy: -81.419
Base-Backbone interact. energy: -0.004
local terms energy: -85.517348
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -21.369
Dist. restrs. and SS energy: 1.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -187.199726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.199726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.410292 (E_RNA)
where:
Base-Base interactions energy: -118.438
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.514
local terms energy: -68.458532
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -11.885
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -177.777461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.777461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.794995 (E_RNA)
where:
Base-Base interactions energy: -114.789
where: short stacking energy: -66.042
Base-Backbone interact. energy: 3.187
local terms energy: -66.193564
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -11.960
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: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -200.495250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.495250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.526309 (E_RNA)
where:
Base-Base interactions energy: -130.645
where: short stacking energy: -68.048
Base-Backbone interact. energy: -0.004
local terms energy: -69.877050
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -19.666
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: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -158.882650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.882650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.897774 (E_RNA)
where:
Base-Base interactions energy: -94.896
where: short stacking energy: -54.366
Base-Backbone interact. energy: -0.080
local terms energy: -63.921433
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -12.008
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: 119
Temperature: 1.250000
Total energy: -172.253963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.253963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.273097 (E_RNA)
where:
Base-Base interactions energy: -106.623
where: short stacking energy: -53.486
Base-Backbone interact. energy: -0.130
local terms energy: -65.520788
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -11.582
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: 3
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -166.733324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.733324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.137387 (E_RNA)
where:
Base-Base interactions energy: -98.819
where: short stacking energy: -61.382
Base-Backbone interact. energy: -0.327
local terms energy: -68.991872
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 1.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -143.278893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.278893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.399710 (E_RNA)
where:
Base-Base interactions energy: -83.619
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.068
local terms energy: -59.713116
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -4.415
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: 1
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -235.480990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.480990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.506584 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -82.785
Base-Backbone interact. energy: -0.712
local terms energy: -86.267735
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -24.667
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: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -235.130775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.130775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.477022 (E_RNA)
where:
Base-Base interactions energy: -149.239
where: short stacking energy: -80.701
Base-Backbone interact. energy: -0.504
local terms energy: -85.733790
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -23.140
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: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -236.230792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.230792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.246099 (E_RNA)
where:
Base-Base interactions energy: -153.019
where: short stacking energy: -85.034
Base-Backbone interact. energy: -0.002
local terms energy: -83.224591
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -22.312
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: 120
Temperature: 1.050000
Total energy: -199.362080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.362080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.543731 (E_RNA)
where:
Base-Base interactions energy: -126.596
where: short stacking energy: -76.284
Base-Backbone interact. energy: -0.041
local terms energy: -72.906880
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -194.797674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.797674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.239185 (E_RNA)
where:
Base-Base interactions energy: -123.540
where: short stacking energy: -72.140
Base-Backbone interact. energy: -0.024
local terms energy: -71.675244
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -170.231703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.231703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.247558 (E_RNA)
where:
Base-Base interactions energy: -103.530
where: short stacking energy: -56.531
Base-Backbone interact. energy: 0.033
local terms energy: -66.751008
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -10.111
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: 120
Temperature: 1.200000
Total energy: -176.329283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.329283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.718230 (E_RNA)
where:
Base-Base interactions energy: -113.173
where: short stacking energy: -61.239
Base-Backbone interact. energy: -0.776
local terms energy: -62.768712
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -154.896296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.896296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.762579 (E_RNA)
where:
Base-Base interactions energy: -93.401
where: short stacking energy: -57.401
Base-Backbone interact. energy: -0.903
local terms energy: -61.458838
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -149.216727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.216727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.454958 (E_RNA)
where:
Base-Base interactions energy: -87.565
where: short stacking energy: -46.221
Base-Backbone interact. energy: -0.633
local terms energy: -61.257380
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -140.221038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.221038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.353534 (E_RNA)
where:
Base-Base interactions energy: -82.454
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.085
local terms energy: -57.814469
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -13.089
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -240.532167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.532167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.640749 (E_RNA)
where:
Base-Base interactions energy: -157.034
where: short stacking energy: -87.202
Base-Backbone interact. energy: -0.051
local terms energy: -83.555632
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -234.093138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.093138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.116477 (E_RNA)
where:
Base-Base interactions energy: -156.326
where: short stacking energy: -86.855
Base-Backbone interact. energy: -0.300
local terms energy: -77.489867
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -21.469
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: 121
Temperature: 1.000000
Total energy: -239.638906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.638906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.638906 (E_RNA)
where:
Base-Base interactions energy: -158.042
where: short stacking energy: -88.603
Base-Backbone interact. energy: -0.596
local terms energy: -81.001620
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -21.601
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: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -202.215352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.215352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.820541 (E_RNA)
where:
Base-Base interactions energy: -128.587
where: short stacking energy: -75.877
Base-Backbone interact. energy: -0.001
local terms energy: -74.232538
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -17.634
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -210.591851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.591851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.942645 (E_RNA)
where:
Base-Base interactions energy: -139.723
where: short stacking energy: -74.458
Base-Backbone interact. energy: -0.057
local terms energy: -71.162640
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -187.117538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.117538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.061320 (E_RNA)
where:
Base-Base interactions energy: -119.613
where: short stacking energy: -73.830
Base-Backbone interact. energy: -0.488
local terms energy: -67.960224
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.944 (S_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: 121
Temperature: 1.200000
Total energy: -177.167186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.167186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.167186 (E_RNA)
where:
Base-Base interactions energy: -106.849
where: short stacking energy: -60.146
Base-Backbone interact. energy: 0.100
local terms energy: -70.418103
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -16.309
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: 8, replica: 4
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -171.624113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.624113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.147832 (E_RNA)
where:
Base-Base interactions energy: -102.889
where: short stacking energy: -61.959
Base-Backbone interact. energy: -0.042
local terms energy: -69.217331
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -17.574
Dist. restrs. and SS energy: 0.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -162.740860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.740860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.795188 (E_RNA)
where:
Base-Base interactions energy: -103.728
where: short stacking energy: -57.445
Base-Backbone interact. energy: -1.713
local terms energy: -59.354037
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 2.054 (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: 3
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -149.092048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.092048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.109399 (E_RNA)
where:
Base-Base interactions energy: -85.320
where: short stacking energy: -43.945
Base-Backbone interact. energy: -0.013
local terms energy: -63.776586
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -9.203
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: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -245.120165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.120165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.291144 (E_RNA)
where:
Base-Base interactions energy: -157.997
where: short stacking energy: -85.137
Base-Backbone interact. energy: -0.005
local terms energy: -87.288697
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -24.087
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: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -238.785854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.785854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.889795 (E_RNA)
where:
Base-Base interactions energy: -157.528
where: short stacking energy: -89.167
Base-Backbone interact. energy: -0.566
local terms energy: -80.795511
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -21.573
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: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -223.673191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.673191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.818126 (E_RNA)
where:
Base-Base interactions energy: -145.623
where: short stacking energy: -76.771
Base-Backbone interact. energy: -0.013
local terms energy: -78.181366
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -18.629
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: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -200.384575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.384575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.804561 (E_RNA)
where:
Base-Base interactions energy: -121.858
where: short stacking energy: -66.833
Base-Backbone interact. energy: -0.615
local terms energy: -80.331367
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -17.193
Dist. restrs. and SS energy: 2.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -192.003883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.003883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.120302 (E_RNA)
where:
Base-Base interactions energy: -116.310
where: short stacking energy: -76.907
Base-Backbone interact. energy: -0.028
local terms energy: -75.781728
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -18.699
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: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -182.555874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.555874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.838548 (E_RNA)
where:
Base-Base interactions energy: -108.086
where: short stacking energy: -74.636
Base-Backbone interact. energy: -0.014
local terms energy: -74.737965
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -21.771
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: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -176.093548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.093548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.138536 (E_RNA)
where:
Base-Base interactions energy: -110.851
where: short stacking energy: -57.372
Base-Backbone interact. energy: -0.049
local terms energy: -65.239056
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -13.087
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: 122
Temperature: 1.250000
Total energy: -155.749608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.749608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.983505 (E_RNA)
where:
Base-Base interactions energy: -101.956
where: short stacking energy: -46.274
Base-Backbone interact. energy: -0.319
local terms energy: -53.707828
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -162.211015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.211015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.257059 (E_RNA)
where:
Base-Base interactions energy: -98.637
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.124
local terms energy: -63.495829
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -11.456
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: 122
Temperature: 1.350000
Total energy: -151.948475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.948475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.151354 (E_RNA)
where:
Base-Base interactions energy: -94.678
where: short stacking energy: -60.544
Base-Backbone interact. energy: -0.642
local terms energy: -56.830935
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -10.654
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: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -239.673717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.673717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.772031 (E_RNA)
where:
Base-Base interactions energy: -153.976
where: short stacking energy: -80.125
Base-Backbone interact. energy: -0.012
local terms energy: -85.783901
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -21.876
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: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -234.875815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.875815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.394213 (E_RNA)
where:
Base-Base interactions energy: -149.216
where: short stacking energy: -78.532
Base-Backbone interact. energy: 0.036
local terms energy: -86.214610
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -21.640
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: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -232.471854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.471854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.471854 (E_RNA)
where:
Base-Base interactions energy: -152.346
where: short stacking energy: -86.656
Base-Backbone interact. energy: -0.001
local terms energy: -80.125531
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (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: 123
Temperature: 1.050000
Total energy: -181.779934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.779934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.786459 (E_RNA)
where:
Base-Base interactions energy: -113.704
where: short stacking energy: -55.255
Base-Backbone interact. energy: -0.881
local terms energy: -67.201466
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -11.524
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: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -204.668992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.668992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.876368 (E_RNA)
where:
Base-Base interactions energy: -124.220
where: short stacking energy: -66.293
Base-Backbone interact. energy: -0.220
local terms energy: -80.436183
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -19.083
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: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -181.834400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.834400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.928852 (E_RNA)
where:
Base-Base interactions energy: -107.142
where: short stacking energy: -50.030
Base-Backbone interact. energy: -0.394
local terms energy: -74.393564
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -176.230049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.230049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.591446 (E_RNA)
where:
Base-Base interactions energy: -108.885
where: short stacking energy: -71.465
Base-Backbone interact. energy: -0.025
local terms energy: -67.681361
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -13.923
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -163.770569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.770569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.021739 (E_RNA)
where:
Base-Base interactions energy: -96.258
where: short stacking energy: -57.405
Base-Backbone interact. energy: -0.161
local terms energy: -67.603020
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -10.055
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: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -153.200589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.200589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.711212 (E_RNA)
where:
Base-Base interactions energy: -92.955
where: short stacking energy: -51.609
Base-Backbone interact. energy: -0.105
local terms energy: -60.651002
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -7.883
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -156.564178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.564178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.584247 (E_RNA)
where:
Base-Base interactions energy: -98.758
where: short stacking energy: -50.971
Base-Backbone interact. energy: -0.104
local terms energy: -57.722673
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -12.380
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -239.004096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.004096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.048477 (E_RNA)
where:
Base-Base interactions energy: -154.986
where: short stacking energy: -87.821
Base-Backbone interact. energy: -0.006
local terms energy: -84.056152
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -25.765
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: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -239.873477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.873477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.239419 (E_RNA)
where:
Base-Base interactions energy: -155.842
where: short stacking energy: -85.372
Base-Backbone interact. energy: -0.002
local terms energy: -84.395375
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -22.996
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: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -234.504293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.504293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.682199 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -88.283
Base-Backbone interact. energy: -0.629
local terms energy: -82.456423
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -192.481795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.481795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.578204 (E_RNA)
where:
Base-Base interactions energy: -121.531
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.399
local terms energy: -70.648450
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -15.507
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: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -195.432943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.432943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.447710 (E_RNA)
where:
Base-Base interactions energy: -125.487
where: short stacking energy: -65.252
Base-Backbone interact. energy: -0.192
local terms energy: -69.767855
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -13.739
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: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -181.093559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.093559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.186873 (E_RNA)
where:
Base-Base interactions energy: -116.269
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.170
local terms energy: -64.747919
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -16.976
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: 124
Temperature: 1.200000
Total energy: -173.923580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.923580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.962262 (E_RNA)
where:
Base-Base interactions energy: -109.965
where: short stacking energy: -64.258
Base-Backbone interact. energy: -0.126
local terms energy: -64.870939
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 1.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -151.548749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.548749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.589102 (E_RNA)
where:
Base-Base interactions energy: -94.416
where: short stacking energy: -49.986
Base-Backbone interact. energy: -0.474
local terms energy: -56.699068
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -10.454
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: 124
Temperature: 1.300000
Total energy: -156.179189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.179189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.636436 (E_RNA)
where:
Base-Base interactions energy: -95.905
where: short stacking energy: -40.682
Base-Backbone interact. energy: -0.134
local terms energy: -60.597406
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -147.399803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.399803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.570472 (E_RNA)
where:
Base-Base interactions energy: -93.316
where: short stacking energy: -41.660
Base-Backbone interact. energy: -0.643
local terms energy: -53.611058
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -10.461
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: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -236.468181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.468181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.516399 (E_RNA)
where:
Base-Base interactions energy: -151.612
where: short stacking energy: -73.433
Base-Backbone interact. energy: -0.549
local terms energy: -84.355404
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -21.813
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: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -233.693034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.693034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.548060 (E_RNA)
where:
Base-Base interactions energy: -151.306
where: short stacking energy: -81.386
Base-Backbone interact. energy: -0.122
local terms energy: -83.120253
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.855 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -232.099192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.099192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.197760 (E_RNA)
where:
Base-Base interactions energy: -156.233
where: short stacking energy: -85.437
Base-Backbone interact. energy: -0.003
local terms energy: -75.960980
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -20.941
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: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -211.048318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.048318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.051576 (E_RNA)
where:
Base-Base interactions energy: -128.172
where: short stacking energy: -76.623
Base-Backbone interact. energy: -0.009
local terms energy: -82.869836
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -20.642
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: 125
Temperature: 1.100000
Total energy: -193.396304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.396304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.531035 (E_RNA)
where:
Base-Base interactions energy: -120.524
where: short stacking energy: -67.945
Base-Backbone interact. energy: 0.532
local terms energy: -74.539296
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -18.278
Dist. restrs. and SS energy: 1.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -171.022683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.022683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.282553 (E_RNA)
where:
Base-Base interactions energy: -101.404
where: short stacking energy: -63.945
Base-Backbone interact. energy: -1.569
local terms energy: -68.309583
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -14.109
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: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -173.587023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.587023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.708941 (E_RNA)
where:
Base-Base interactions energy: -101.687
where: short stacking energy: -60.037
Base-Backbone interact. energy: -0.111
local terms energy: -71.910919
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -19.137
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: 125
Temperature: 1.250000
Total energy: -157.541660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.541660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.055654 (E_RNA)
where:
Base-Base interactions energy: -94.794
where: short stacking energy: -53.552
Base-Backbone interact. energy: 0.046
local terms energy: -63.307563
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -150.742403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.742403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.744482 (E_RNA)
where:
Base-Base interactions energy: -92.236
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.081
local terms energy: -58.427317
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -12.200
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: 125
Temperature: 1.350000
Total energy: -150.439178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.439178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.372095 (E_RNA)
where:
Base-Base interactions energy: -93.526
where: short stacking energy: -45.518
Base-Backbone interact. energy: 0.233
local terms energy: -58.078504
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.933 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -240.339958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.339958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.509579 (E_RNA)
where:
Base-Base interactions energy: -152.644
where: short stacking energy: -87.604
Base-Backbone interact. energy: -0.035
local terms energy: -87.831006
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -25.329
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -225.423910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.423910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.033499 (E_RNA)
where:
Base-Base interactions energy: -149.946
where: short stacking energy: -74.090
Base-Backbone interact. energy: 0.617
local terms energy: -76.704746
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -235.585886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.585886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.628255 (E_RNA)
where:
Base-Base interactions energy: -151.840
where: short stacking energy: -83.483
Base-Backbone interact. energy: -0.139
local terms energy: -83.649627
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -20.558
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: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -226.555432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.555432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.797251 (E_RNA)
where:
Base-Base interactions energy: -152.926
where: short stacking energy: -86.390
Base-Backbone interact. energy: -0.000
local terms energy: -73.870760
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -21.755
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: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -228.534184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.534184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.765195 (E_RNA)
where:
Base-Base interactions energy: -145.768
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.605
local terms energy: -82.391762
where:
bonds (distance) C4'-P energy: -16.301
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -23.121
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -172.591160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.591160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.800437 (E_RNA)
where:
Base-Base interactions energy: -97.493
where: short stacking energy: -53.076
Base-Backbone interact. energy: -0.384
local terms energy: -74.923877
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -11.067
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: 126
Temperature: 1.200000
Total energy: -167.715905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.715905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.934641 (E_RNA)
where:
Base-Base interactions energy: -101.623
where: short stacking energy: -59.178
Base-Backbone interact. energy: -0.001
local terms energy: -66.311350
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -10.922
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: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -162.798260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.798260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.004269 (E_RNA)
where:
Base-Base interactions energy: -96.013
where: short stacking energy: -57.867
Base-Backbone interact. energy: -0.194
local terms energy: -66.797519
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -10.516
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: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -155.145262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.145262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.437973 (E_RNA)
where:
Base-Base interactions energy: -89.041
where: short stacking energy: -47.197
Base-Backbone interact. energy: 0.510
local terms energy: -66.906876
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -142.515999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.515999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.851465 (E_RNA)
where:
Base-Base interactions energy: -87.892
where: short stacking energy: -38.748
Base-Backbone interact. energy: -0.050
local terms energy: -54.909432
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -8.140
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: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -232.718688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.718688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.726131 (E_RNA)
where:
Base-Base interactions energy: -155.901
where: short stacking energy: -83.696
Base-Backbone interact. energy: -0.402
local terms energy: -77.422319
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 1.007 (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: 127
Temperature: 0.950000
Total energy: -222.232989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.232989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.294636 (E_RNA)
where:
Base-Base interactions energy: -143.497
where: short stacking energy: -80.668
Base-Backbone interact. energy: -0.317
local terms energy: -78.480197
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -23.556
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: 127
Temperature: 1.000000
Total energy: -227.023873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.023873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.091224 (E_RNA)
where:
Base-Base interactions energy: -142.229
where: short stacking energy: -73.077
Base-Backbone interact. energy: -0.086
local terms energy: -85.775707
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -23.109
Dist. restrs. and SS energy: 1.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -212.630223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.630223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.663073 (E_RNA)
where:
Base-Base interactions energy: -139.214
where: short stacking energy: -75.430
Base-Backbone interact. energy: -0.092
local terms energy: -73.357610
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -20.452
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: 127
Temperature: 1.100000
Total energy: -190.023305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.023305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.032530 (E_RNA)
where:
Base-Base interactions energy: -122.198
where: short stacking energy: -74.569
Base-Backbone interact. energy: -0.252
local terms energy: -67.582628
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -15.592
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: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -168.558377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.558377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.945558 (E_RNA)
where:
Base-Base interactions energy: -103.296
where: short stacking energy: -60.188
Base-Backbone interact. energy: -0.127
local terms energy: -65.523075
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -10.882
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: 7, replica: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -152.250525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.250525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.286958 (E_RNA)
where:
Base-Base interactions energy: -89.634
where: short stacking energy: -43.914
Base-Backbone interact. energy: -0.741
local terms energy: -61.911909
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -6.720
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: 127
Temperature: 1.250000
Total energy: -158.492115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.492115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.492115 (E_RNA)
where:
Base-Base interactions energy: -94.357
where: short stacking energy: -49.675
Base-Backbone interact. energy: -0.081
local terms energy: -64.053757
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -12.743
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: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -158.950449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.950449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.764823 (E_RNA)
where:
Base-Base interactions energy: -104.105
where: short stacking energy: -60.454
Base-Backbone interact. energy: -0.106
local terms energy: -55.553686
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.814 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -148.712511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.712511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.916103 (E_RNA)
where:
Base-Base interactions energy: -93.043
where: short stacking energy: -55.385
Base-Backbone interact. energy: 1.382
local terms energy: -57.255848
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -7.201
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -239.093414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.093414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.113045 (E_RNA)
where:
Base-Base interactions energy: -152.464
where: short stacking energy: -78.919
Base-Backbone interact. energy: -0.396
local terms energy: -86.253019
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -22.713
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -230.994555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.994555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.156674 (E_RNA)
where:
Base-Base interactions energy: -154.042
where: short stacking energy: -80.766
Base-Backbone interact. energy: -0.001
local terms energy: -78.113785
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -6.952
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 1.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -227.669247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.669247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.702503 (E_RNA)
where:
Base-Base interactions energy: -151.372
where: short stacking energy: -83.090
Base-Backbone interact. energy: -0.811
local terms energy: -75.519012
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -23.170
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: 128
Temperature: 1.050000
Total energy: -221.652526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.652526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.046318 (E_RNA)
where:
Base-Base interactions energy: -147.840
where: short stacking energy: -76.675
Base-Backbone interact. energy: -0.103
local terms energy: -74.102605
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -24.127
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: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -179.240638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.240638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.388194 (E_RNA)
where:
Base-Base interactions energy: -102.058
where: short stacking energy: -57.592
Base-Backbone interact. energy: -0.236
local terms energy: -77.094026
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.141
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: 128
Temperature: 1.150000
Total energy: -166.524358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.524358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.653354 (E_RNA)
where:
Base-Base interactions energy: -105.512
where: short stacking energy: -63.903
Base-Backbone interact. energy: -0.599
local terms energy: -60.542211
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -11.427
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: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -179.697357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.697357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.697357 (E_RNA)
where:
Base-Base interactions energy: -115.982
where: short stacking energy: -62.751
Base-Backbone interact. energy: -1.173
local terms energy: -62.542462
where:
bonds (distance) C4'-P energy: -8.450
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: -0.000 (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: 128
Temperature: 1.250000
Total energy: -174.386258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.386258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.738782 (E_RNA)
where:
Base-Base interactions energy: -100.390
where: short stacking energy: -62.569
Base-Backbone interact. energy: -0.001
local terms energy: -74.347689
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -18.935
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: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -160.978791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.978791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.100257 (E_RNA)
where:
Base-Base interactions energy: -100.729
where: short stacking energy: -64.913
Base-Backbone interact. energy: 0.702
local terms energy: -61.072961
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -14.221
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: 128
Temperature: 1.350000
Total energy: -142.097926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.097926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.157678 (E_RNA)
where:
Base-Base interactions energy: -82.610
where: short stacking energy: -43.229
Base-Backbone interact. energy: -0.846
local terms energy: -58.702202
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.787
tors. eta vs tors. theta energy: -5.729
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: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -237.576388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.576388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.595949 (E_RNA)
where:
Base-Base interactions energy: -152.451
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.131
local terms energy: -85.013605
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -24.243
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: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -228.078699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.078699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.234024 (E_RNA)
where:
Base-Base interactions energy: -148.609
where: short stacking energy: -83.767
Base-Backbone interact. energy: 0.064
local terms energy: -79.688255
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -18.382
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -20.512
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: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -226.531365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.531365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.684263 (E_RNA)
where:
Base-Base interactions energy: -150.625
where: short stacking energy: -77.774
Base-Backbone interact. energy: -0.338
local terms energy: -75.720528
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -22.971
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: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -227.025324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.025324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.149123 (E_RNA)
where:
Base-Base interactions energy: -144.687
where: short stacking energy: -78.658
Base-Backbone interact. energy: -0.021
local terms energy: -82.441227
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -23.452
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -182.981903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.981903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.107997 (E_RNA)
where:
Base-Base interactions energy: -115.912
where: short stacking energy: -71.541
Base-Backbone interact. energy: -0.091
local terms energy: -67.105320
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -20.899
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: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -194.656411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.656411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.688734 (E_RNA)
where:
Base-Base interactions energy: -121.335
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.021
local terms energy: -73.332676
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -20.136
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: 129
Temperature: 1.200000
Total energy: -161.180180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.180180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.199648 (E_RNA)
where:
Base-Base interactions energy: -97.067
where: short stacking energy: -59.596
Base-Backbone interact. energy: -0.103
local terms energy: -64.029266
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -13.064
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: 129
Temperature: 1.250000
Total energy: -155.244887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.244887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.420230 (E_RNA)
where:
Base-Base interactions energy: -95.183
where: short stacking energy: -57.702
Base-Backbone interact. energy: -0.175
local terms energy: -60.061856
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -9.907
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: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -166.564683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.564683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.564683 (E_RNA)
where:
Base-Base interactions energy: -107.784
where: short stacking energy: -57.427
Base-Backbone interact. energy: -0.373
local terms energy: -58.407606
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -11.668
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: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -143.625043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.625043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.568055 (E_RNA)
where:
Base-Base interactions energy: -91.512
where: short stacking energy: -46.957
Base-Backbone interact. energy: -0.111
local terms energy: -52.944846
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -8.068
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -8.652
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -247.671502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.671502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.682327 (E_RNA)
where:
Base-Base interactions energy: -166.379
where: short stacking energy: -89.248
Base-Backbone interact. energy: 0.283
local terms energy: -81.586442
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -22.639
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: 130
Temperature: 0.950000
Total energy: -236.859326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.859326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.898817 (E_RNA)
where:
Base-Base interactions energy: -152.139
where: short stacking energy: -83.211
Base-Backbone interact. energy: -0.000
local terms energy: -84.760067
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -24.198
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: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -222.735425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.735425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.163616 (E_RNA)
where:
Base-Base interactions energy: -141.642
where: short stacking energy: -70.544
Base-Backbone interact. energy: -0.001
local terms energy: -81.520836
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -227.547725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.547725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.824118 (E_RNA)
where:
Base-Base interactions energy: -149.863
where: short stacking energy: -76.425
Base-Backbone interact. energy: -0.002
local terms energy: -78.958813
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -23.807
Dist. restrs. and SS energy: 1.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -223.076585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.076585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.517694 (E_RNA)
where:
Base-Base interactions energy: -147.309
where: short stacking energy: -78.083
Base-Backbone interact. energy: -0.001
local terms energy: -76.206839
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -21.332
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -185.764161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.764161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.996833 (E_RNA)
where:
Base-Base interactions energy: -116.671
where: short stacking energy: -65.341
Base-Backbone interact. energy: -0.350
local terms energy: -68.975231
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -15.663
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: 7, replica: 6
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -197.288503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.288503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.310078 (E_RNA)
where:
Base-Base interactions energy: -124.769
where: short stacking energy: -71.120
Base-Backbone interact. energy: -0.848
local terms energy: -71.693316
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -18.801
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: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -156.138453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.138453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.154992 (E_RNA)
where:
Base-Base interactions energy: -94.237
where: short stacking energy: -43.306
Base-Backbone interact. energy: -0.055
local terms energy: -61.862622
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -9.717
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: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -149.559625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.559625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.820454 (E_RNA)
where:
Base-Base interactions energy: -94.214
where: short stacking energy: -54.654
Base-Backbone interact. energy: -0.108
local terms energy: -55.498417
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.261 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -169.999891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.999891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.078667 (E_RNA)
where:
Base-Base interactions energy: -110.313
where: short stacking energy: -65.593
Base-Backbone interact. energy: -0.273
local terms energy: -59.493177
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -12.444
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: 131
Temperature: 0.900000
Total energy: -245.461991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.461991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.586273 (E_RNA)
where:
Base-Base interactions energy: -159.197
where: short stacking energy: -91.741
Base-Backbone interact. energy: -0.003
local terms energy: -86.385885
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -240.065194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.065194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.345294 (E_RNA)
where:
Base-Base interactions energy: -149.171
where: short stacking energy: -84.081
Base-Backbone interact. energy: -0.002
local terms energy: -91.172521
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -24.738
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -226.198739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.198739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.223928 (E_RNA)
where:
Base-Base interactions energy: -148.852
where: short stacking energy: -80.854
Base-Backbone interact. energy: -0.157
local terms energy: -77.215081
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -20.978
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: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -228.447023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.447023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.127886 (E_RNA)
where:
Base-Base interactions energy: -152.938
where: short stacking energy: -86.170
Base-Backbone interact. energy: -0.004
local terms energy: -76.186547
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -19.525
Dist. restrs. and SS energy: 0.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -204.554288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.554288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.113732 (E_RNA)
where:
Base-Base interactions energy: -137.540
where: short stacking energy: -68.827
Base-Backbone interact. energy: -1.084
local terms energy: -68.490101
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -8.136
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 2.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -166.514532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.514532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.589053 (E_RNA)
where:
Base-Base interactions energy: -102.561
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.051
local terms energy: -63.976762
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -16.309
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: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -172.342013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.342013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.456829 (E_RNA)
where:
Base-Base interactions energy: -111.413
where: short stacking energy: -57.900
Base-Backbone interact. energy: -0.038
local terms energy: -61.005871
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -13.687
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: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -160.123197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.123197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.157257 (E_RNA)
where:
Base-Base interactions energy: -93.303
where: short stacking energy: -53.907
Base-Backbone interact. energy: -0.469
local terms energy: -66.385858
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -13.985
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: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -163.549633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.549633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.565323 (E_RNA)
where:
Base-Base interactions energy: -105.413
where: short stacking energy: -59.333
Base-Backbone interact. energy: 0.241
local terms energy: -58.392742
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -12.526
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: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -149.260403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.260403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.438498 (E_RNA)
where:
Base-Base interactions energy: -83.935
where: short stacking energy: -49.208
Base-Backbone interact. energy: -0.049
local terms energy: -65.453569
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -9.725
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: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -248.095985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.095985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.191756 (E_RNA)
where:
Base-Base interactions energy: -165.184
where: short stacking energy: -94.337
Base-Backbone interact. energy: -0.021
local terms energy: -82.986011
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -23.067
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: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -237.471984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.471984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.753994 (E_RNA)
where:
Base-Base interactions energy: -153.708
where: short stacking energy: -84.611
Base-Backbone interact. energy: -1.041
local terms energy: -83.005539
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -244.030771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.030771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.072854 (E_RNA)
where:
Base-Base interactions energy: -162.972
where: short stacking energy: -91.508
Base-Backbone interact. energy: -0.027
local terms energy: -81.073147
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -22.620
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: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -204.966405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.966405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.099635 (E_RNA)
where:
Base-Base interactions energy: -134.415
where: short stacking energy: -69.316
Base-Backbone interact. energy: -0.394
local terms energy: -70.290826
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -190.145615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.145615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.150105 (E_RNA)
where:
Base-Base interactions energy: -120.014
where: short stacking energy: -75.887
Base-Backbone interact. energy: -0.071
local terms energy: -70.064825
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -16.857
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: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -203.192534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.192534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.209106 (E_RNA)
where:
Base-Base interactions energy: -130.212
where: short stacking energy: -74.818
Base-Backbone interact. energy: -0.000
local terms energy: -72.996359
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -20.478
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: 3
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -176.142610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.142610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.383738 (E_RNA)
where:
Base-Base interactions energy: -109.855
where: short stacking energy: -69.546
Base-Backbone interact. energy: -0.330
local terms energy: -66.198050
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -18.112
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: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -176.151168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.151168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.170805 (E_RNA)
where:
Base-Base interactions energy: -115.606
where: short stacking energy: -42.384
Base-Backbone interact. energy: -0.501
local terms energy: -60.064600
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -8.077
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: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -164.088345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.088345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.197211 (E_RNA)
where:
Base-Base interactions energy: -99.809
where: short stacking energy: -50.357
Base-Backbone interact. energy: -1.035
local terms energy: -63.352541
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -8.795
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: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -162.847381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.847381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.923508 (E_RNA)
where:
Base-Base interactions energy: -101.259
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.009
local terms energy: -61.654680
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -10.809
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -15.478
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: 133
Temperature: 0.900000
Total energy: -239.536631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.536631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.559258 (E_RNA)
where:
Base-Base interactions energy: -158.147
where: short stacking energy: -87.477
Base-Backbone interact. energy: -0.006
local terms energy: -81.405894
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -20.204
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: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -237.268671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.268671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.307430 (E_RNA)
where:
Base-Base interactions energy: -155.945
where: short stacking energy: -81.558
Base-Backbone interact. energy: -0.042
local terms energy: -81.320153
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -22.856
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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -239.293064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.293064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.892795 (E_RNA)
where:
Base-Base interactions energy: -159.172
where: short stacking energy: -87.836
Base-Backbone interact. energy: -0.199
local terms energy: -82.521329
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -22.472
Dist. restrs. and SS energy: 2.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -224.064018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.064018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.157441 (E_RNA)
where:
Base-Base interactions energy: -144.358
where: short stacking energy: -72.979
Base-Backbone interact. energy: -0.624
local terms energy: -79.175107
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -22.452
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: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -212.192927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.192927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.668918 (E_RNA)
where:
Base-Base interactions energy: -140.740
where: short stacking energy: -70.013
Base-Backbone interact. energy: -0.157
local terms energy: -71.772276
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -185.366643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.366643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.941112 (E_RNA)
where:
Base-Base interactions energy: -118.303
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.092
local terms energy: -67.546167
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -156.314826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.314826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.396259 (E_RNA)
where:
Base-Base interactions energy: -99.176
where: short stacking energy: -55.193
Base-Backbone interact. energy: -0.216
local terms energy: -57.003477
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -11.166
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: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -155.414990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.414990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.625510 (E_RNA)
where:
Base-Base interactions energy: -100.425
where: short stacking energy: -55.486
Base-Backbone interact. energy: -0.221
local terms energy: -54.979895
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -8.997
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -9.293
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: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -186.922499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.922499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.405509 (E_RNA)
where:
Base-Base interactions energy: -116.949
where: short stacking energy: -66.862
Base-Backbone interact. energy: -0.307
local terms energy: -71.148889
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 1.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -149.187271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.187271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.187929 (E_RNA)
where:
Base-Base interactions energy: -93.169
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.535
local terms energy: -55.483900
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -8.585
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: 10
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -246.205037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.205037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.220404 (E_RNA)
where:
Base-Base interactions energy: -157.192
where: short stacking energy: -87.003
Base-Backbone interact. energy: -0.285
local terms energy: -88.743573
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -14.263
tors. eta vs tors. theta energy: -22.077
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: 134
Temperature: 0.950000
Total energy: -237.342632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.342632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.342632 (E_RNA)
where:
Base-Base interactions energy: -155.093
where: short stacking energy: -84.836
Base-Backbone interact. energy: 0.373
local terms energy: -82.622616
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -21.148
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: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -232.864740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.864740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.912989 (E_RNA)
where:
Base-Base interactions energy: -147.897
where: short stacking energy: -84.454
Base-Backbone interact. energy: -0.293
local terms energy: -84.723413
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -23.865
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: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -233.499681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.499681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.885943 (E_RNA)
where:
Base-Base interactions energy: -156.629
where: short stacking energy: -78.507
Base-Backbone interact. energy: -0.008
local terms energy: -78.249133
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 1.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -189.454166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.454166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.454166 (E_RNA)
where:
Base-Base interactions energy: -111.887
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.103
local terms energy: -77.464962
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (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: 134
Temperature: 1.150000
Total energy: -177.910981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.910981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.241754 (E_RNA)
where:
Base-Base interactions energy: -109.631
where: short stacking energy: -71.075
Base-Backbone interact. energy: -0.044
local terms energy: -68.567454
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -14.346
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: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -172.810616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.810616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.890159 (E_RNA)
where:
Base-Base interactions energy: -100.269
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.447
local terms energy: -72.174795
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -11.430
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: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -153.775300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.775300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.917895 (E_RNA)
where:
Base-Base interactions energy: -98.241
where: short stacking energy: -60.656
Base-Backbone interact. energy: 0.262
local terms energy: -55.938794
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -15.925
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: 9, replica: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -152.909728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.909728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.412706 (E_RNA)
where:
Base-Base interactions energy: -86.662
where: short stacking energy: -52.781
Base-Backbone interact. energy: -0.212
local terms energy: -66.539085
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -10.940
Dist. restrs. and SS energy: 0.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -160.199109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.199109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.480138 (E_RNA)
where:
Base-Base interactions energy: -99.068
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.164
local terms energy: -61.248250
where:
bonds (distance) C4'-P energy: -5.354
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -14.123
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: 10
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -226.837807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.837807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.837807 (E_RNA)
where:
Base-Base interactions energy: -144.355
where: short stacking energy: -82.723
Base-Backbone interact. energy: -0.001
local terms energy: -82.482005
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: -0.000 (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: 135
Temperature: 0.950000
Total energy: -215.146983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.146983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.598537 (E_RNA)
where:
Base-Base interactions energy: -141.229
where: short stacking energy: -82.180
Base-Backbone interact. energy: -0.001
local terms energy: -74.368612
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -21.340
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -234.238670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.238670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.279171 (E_RNA)
where:
Base-Base interactions energy: -152.437
where: short stacking energy: -85.314
Base-Backbone interact. energy: -0.007
local terms energy: -81.835394
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -23.327
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: 135
Temperature: 1.050000
Total energy: -210.834388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.834388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.931517 (E_RNA)
where:
Base-Base interactions energy: -134.988
where: short stacking energy: -72.735
Base-Backbone interact. energy: -0.379
local terms energy: -75.564776
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -22.622
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: 1
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -181.001817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.001817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.031218 (E_RNA)
where:
Base-Base interactions energy: -111.208
where: short stacking energy: -64.397
Base-Backbone interact. energy: 0.548
local terms energy: -70.370933
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -12.460
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: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -165.170580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.170580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.325570 (E_RNA)
where:
Base-Base interactions energy: -101.101
where: short stacking energy: -65.226
Base-Backbone interact. energy: -0.023
local terms energy: -64.202167
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -172.321857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.321857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.804278 (E_RNA)
where:
Base-Base interactions energy: -104.264
where: short stacking energy: -66.465
Base-Backbone interact. energy: -0.161
local terms energy: -68.379408
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -15.488
Dist. restrs. and SS energy: 0.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -170.615356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.615356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.691613 (E_RNA)
where:
Base-Base interactions energy: -103.151
where: short stacking energy: -60.920
Base-Backbone interact. energy: -0.148
local terms energy: -67.392329
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -14.178
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: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -156.126867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.126867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.418261 (E_RNA)
where:
Base-Base interactions energy: -102.029
where: short stacking energy: -56.631
Base-Backbone interact. energy: 0.952
local terms energy: -55.341551
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -155.122700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.122700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.122700 (E_RNA)
where:
Base-Base interactions energy: -102.682
where: short stacking energy: -62.820
Base-Backbone interact. energy: 0.078
local terms energy: -52.519091
where:
bonds (distance) C4'-P energy: -7.238
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -11.477
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: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -235.426043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.426043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.304831 (E_RNA)
where:
Base-Base interactions energy: -149.243
where: short stacking energy: -81.572
Base-Backbone interact. energy: -0.012
local terms energy: -87.050281
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -22.632
Dist. restrs. and SS energy: 0.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -201.006428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.006428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.019295 (E_RNA)
where:
Base-Base interactions energy: -117.227
where: short stacking energy: -75.308
Base-Backbone interact. energy: 0.521
local terms energy: -84.313022
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -22.559
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -200.569692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.569692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.702624 (E_RNA)
where:
Base-Base interactions energy: -119.517
where: short stacking energy: -60.230
Base-Backbone interact. energy: -0.425
local terms energy: -80.760560
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -206.554145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.554145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.704557 (E_RNA)
where:
Base-Base interactions energy: -124.037
where: short stacking energy: -78.610
Base-Backbone interact. energy: 0.278
local terms energy: -83.945399
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 1.150 (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: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -184.933322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.933322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.959007 (E_RNA)
where:
Base-Base interactions energy: -120.252
where: short stacking energy: -74.350
Base-Backbone interact. energy: -0.329
local terms energy: -64.377692
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -17.265
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: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -184.691562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.691562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.728242 (E_RNA)
where:
Base-Base interactions energy: -114.879
where: short stacking energy: -71.339
Base-Backbone interact. energy: -0.004
local terms energy: -69.845203
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -16.009
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: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -172.425451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.425451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.879610 (E_RNA)
where:
Base-Base interactions energy: -108.991
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.144
local terms energy: -63.744055
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -151.826949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.826949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.871621 (E_RNA)
where:
Base-Base interactions energy: -101.443
where: short stacking energy: -45.341
Base-Backbone interact. energy: -0.329
local terms energy: -50.099807
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -3.979
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: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -166.443089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.443089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.944721 (E_RNA)
where:
Base-Base interactions energy: -105.837
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.005
local terms energy: -61.102259
where:
bonds (distance) C4'-P energy: -3.839
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -21.238
Dist. restrs. and SS energy: 0.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -147.137282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.137282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.358488 (E_RNA)
where:
Base-Base interactions energy: -91.189
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.022
local terms energy: -56.147524
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -7.404
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -231.271694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.271694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.313060 (E_RNA)
where:
Base-Base interactions energy: -154.202
where: short stacking energy: -83.649
Base-Backbone interact. energy: -0.046
local terms energy: -77.065118
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -20.414
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: 137
Temperature: 0.950000
Total energy: -192.717829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.717829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.765939 (E_RNA)
where:
Base-Base interactions energy: -122.737
where: short stacking energy: -67.182
Base-Backbone interact. energy: 0.852
local terms energy: -70.880771
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -12.183
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: 137
Temperature: 1.000000
Total energy: -188.767442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.767442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.797374 (E_RNA)
where:
Base-Base interactions energy: -112.310
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.334
local terms energy: -76.153178
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -18.001
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: 137
Temperature: 1.050000
Total energy: -189.042013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.042013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.042013 (E_RNA)
where:
Base-Base interactions energy: -120.608
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.861
local terms energy: -67.573034
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (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: 137
Temperature: 1.100000
Total energy: -207.318158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.318158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.858575 (E_RNA)
where:
Base-Base interactions energy: -133.628
where: short stacking energy: -74.583
Base-Backbone interact. energy: -0.001
local terms energy: -74.229784
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -23.562
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: 6, replica: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -164.954891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.954891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.089727 (E_RNA)
where:
Base-Base interactions energy: -102.799
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.816
local terms energy: -61.475522
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -13.588
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: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -175.662502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.662502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.228657 (E_RNA)
where:
Base-Base interactions energy: -98.914
where: short stacking energy: -63.035
Base-Backbone interact. energy: 0.705
local terms energy: -78.019544
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -172.694110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.694110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.697046 (E_RNA)
where:
Base-Base interactions energy: -105.412
where: short stacking energy: -61.867
Base-Backbone interact. energy: -0.162
local terms energy: -67.123331
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -12.167
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: 5
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -147.579753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.579753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.663634 (E_RNA)
where:
Base-Base interactions energy: -88.126
where: short stacking energy: -44.498
Base-Backbone interact. energy: -0.143
local terms energy: -59.394704
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -6.400
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: 137
Temperature: 1.350000
Total energy: -153.910619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.910619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.174618 (E_RNA)
where:
Base-Base interactions energy: -97.976
where: short stacking energy: -55.200
Base-Backbone interact. energy: -0.031
local terms energy: -56.167172
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -2.734
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -237.560975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.560975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.616940 (E_RNA)
where:
Base-Base interactions energy: -153.883
where: short stacking energy: -81.441
Base-Backbone interact. energy: -0.087
local terms energy: -83.647328
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -22.955
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: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -235.162369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.162369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.165993 (E_RNA)
where:
Base-Base interactions energy: -148.907
where: short stacking energy: -82.774
Base-Backbone interact. energy: -0.035
local terms energy: -86.224179
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -23.016
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: 138
Temperature: 1.000000
Total energy: -193.097481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.097481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.148784 (E_RNA)
where:
Base-Base interactions energy: -118.064
where: short stacking energy: -64.579
Base-Backbone interact. energy: -1.895
local terms energy: -73.189609
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -16.930
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: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -201.521305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.521305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.600468 (E_RNA)
where:
Base-Base interactions energy: -125.644
where: short stacking energy: -66.558
Base-Backbone interact. energy: -0.020
local terms energy: -75.936791
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -15.709
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: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -209.205707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.205707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.497915 (E_RNA)
where:
Base-Base interactions energy: -142.848
where: short stacking energy: -69.089
Base-Backbone interact. energy: -0.089
local terms energy: -67.561369
where:
bonds (distance) C4'-P energy: -7.380
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 1.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -182.290662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.290662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.316908 (E_RNA)
where:
Base-Base interactions energy: -111.484
where: short stacking energy: -66.784
Base-Backbone interact. energy: -0.066
local terms energy: -70.767211
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -17.716
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: 138
Temperature: 1.200000
Total energy: -161.445722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.445722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.460962 (E_RNA)
where:
Base-Base interactions energy: -103.773
where: short stacking energy: -55.819
Base-Backbone interact. energy: 1.964
local terms energy: -59.652445
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -13.330
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: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -161.898238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.898238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.087163 (E_RNA)
where:
Base-Base interactions energy: -93.921
where: short stacking energy: -46.147
Base-Backbone interact. energy: -0.701
local terms energy: -67.465717
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -8.932
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: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -158.271727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.271727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.408889 (E_RNA)
where:
Base-Base interactions energy: -97.431
where: short stacking energy: -54.490
Base-Backbone interact. energy: -1.141
local terms energy: -59.836495
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -13.625
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: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -159.535485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.535485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.899570 (E_RNA)
where:
Base-Base interactions energy: -90.041
where: short stacking energy: -51.277
Base-Backbone interact. energy: -0.627
local terms energy: -69.231383
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -9.756
Dist. restrs. and SS energy: 0.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -236.842473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.842473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.911813 (E_RNA)
where:
Base-Base interactions energy: -153.036
where: short stacking energy: -86.979
Base-Backbone interact. energy: -0.000
local terms energy: -83.875872
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -22.243
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: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -241.984221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.984221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.020695 (E_RNA)
where:
Base-Base interactions energy: -163.728
where: short stacking energy: -87.879
Base-Backbone interact. energy: -0.715
local terms energy: -77.576808
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -23.270
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: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -197.413798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.413798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.494099 (E_RNA)
where:
Base-Base interactions energy: -127.537
where: short stacking energy: -70.631
Base-Backbone interact. energy: -1.059
local terms energy: -68.898759
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -211.611024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.611024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.643356 (E_RNA)
where:
Base-Base interactions energy: -137.117
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.786
local terms energy: -73.739809
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -19.073
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: 139
Temperature: 1.100000
Total energy: -201.341102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.341102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.675720 (E_RNA)
where:
Base-Base interactions energy: -127.162
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.063
local terms energy: -74.450989
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -170.455794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.455794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.579624 (E_RNA)
where:
Base-Base interactions energy: -100.215
where: short stacking energy: -64.117
Base-Backbone interact. energy: -0.011
local terms energy: -70.354068
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -12.099
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: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -167.219942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.219942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.370096 (E_RNA)
where:
Base-Base interactions energy: -100.307
where: short stacking energy: -51.075
Base-Backbone interact. energy: -0.734
local terms energy: -66.328778
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -11.219
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: 139
Temperature: 1.250000
Total energy: -172.905438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.905438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.964817 (E_RNA)
where:
Base-Base interactions energy: -108.438
where: short stacking energy: -59.119
Base-Backbone interact. energy: -2.599
local terms energy: -61.927256
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -9.538
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: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -170.867797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.867797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.980624 (E_RNA)
where:
Base-Base interactions energy: -108.392
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.090
local terms energy: -62.498578
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -15.654
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: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -154.223811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.223811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.377354 (E_RNA)
where:
Base-Base interactions energy: -83.236
where: short stacking energy: -43.666
Base-Backbone interact. energy: -0.134
local terms energy: -71.007354
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -11.661
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: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -234.953602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.953602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.844536 (E_RNA)
where:
Base-Base interactions energy: -154.506
where: short stacking energy: -77.960
Base-Backbone interact. energy: -0.001
local terms energy: -81.338161
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -235.398821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.398821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.958705 (E_RNA)
where:
Base-Base interactions energy: -155.702
where: short stacking energy: -77.453
Base-Backbone interact. energy: -0.806
local terms energy: -79.450434
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -24.589
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -227.337546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.337546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.302733 (E_RNA)
where:
Base-Base interactions energy: -144.291
where: short stacking energy: -72.320
Base-Backbone interact. energy: -0.133
local terms energy: -83.879304
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.965 (S_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: 140
Temperature: 1.050000
Total energy: -200.643548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.643548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.691528 (E_RNA)
where:
Base-Base interactions energy: -122.131
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.378
local terms energy: -78.182744
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -16.918
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: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -195.916619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.916619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.526199 (E_RNA)
where:
Base-Base interactions energy: -134.420
where: short stacking energy: -70.047
Base-Backbone interact. energy: 0.066
local terms energy: -62.172301
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -169.076981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.076981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.233147 (E_RNA)
where:
Base-Base interactions energy: -103.585
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.889
local terms energy: -64.759561
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -10.951
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: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -157.891684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.891684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.999208 (E_RNA)
where:
Base-Base interactions energy: -94.389
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.144
local terms energy: -63.465517
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -161.806556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.806556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.061049 (E_RNA)
where:
Base-Base interactions energy: -103.531
where: short stacking energy: -63.010
Base-Backbone interact. energy: -0.348
local terms energy: -58.182105
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -9.052
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: 9, replica: 3
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -171.858987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.858987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.863443 (E_RNA)
where:
Base-Base interactions energy: -111.962
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.059
local terms energy: -59.842102
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -16.366
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: 140
Temperature: 1.350000
Total energy: -170.720838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.720838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.750841 (E_RNA)
where:
Base-Base interactions energy: -110.802
where: short stacking energy: -66.875
Base-Backbone interact. energy: -0.735
local terms energy: -59.213420
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -7.335
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -14.122
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: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -218.869455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.869455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.079861 (E_RNA)
where:
Base-Base interactions energy: -139.666
where: short stacking energy: -73.615
Base-Backbone interact. energy: -2.041
local terms energy: -79.373184
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -17.602
Dist. restrs. and SS energy: 2.210 (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: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -231.121270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.121270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.139766 (E_RNA)
where:
Base-Base interactions energy: -146.885
where: short stacking energy: -77.596
Base-Backbone interact. energy: -0.016
local terms energy: -85.238984
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 1.018 (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: 141
Temperature: 1.000000
Total energy: -224.656963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.986620 (E_RNA)
where:
Base-Base interactions energy: -145.499
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.000
local terms energy: -79.487719
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -19.546
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -202.241148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.241148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.479718 (E_RNA)
where:
Base-Base interactions energy: -131.774
where: short stacking energy: -72.309
Base-Backbone interact. energy: -0.209
local terms energy: -71.496996
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 1.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -195.961951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.961951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.953031 (E_RNA)
where:
Base-Base interactions energy: -124.413
where: short stacking energy: -62.318
Base-Backbone interact. energy: 0.350
local terms energy: -72.889656
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -16.995
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -164.726965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.726965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.982138 (E_RNA)
where:
Base-Base interactions energy: -104.961
where: short stacking energy: -54.133
Base-Backbone interact. energy: -0.524
local terms energy: -59.497540
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -9.649
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -165.986780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.986780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.997342 (E_RNA)
where:
Base-Base interactions energy: -100.710
where: short stacking energy: -56.770
Base-Backbone interact. energy: -0.235
local terms energy: -65.052161
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -14.264
tors. eta vs tors. theta energy: -10.509
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: 141
Temperature: 1.250000
Total energy: -152.715791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.715791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.818768 (E_RNA)
where:
Base-Base interactions energy: -94.992
where: short stacking energy: -48.196
Base-Backbone interact. energy: -1.204
local terms energy: -56.622885
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -7.387
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: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -158.998841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.998841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.245715 (E_RNA)
where:
Base-Base interactions energy: -98.945
where: short stacking energy: -53.590
Base-Backbone interact. energy: -0.008
local terms energy: -60.292375
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -8.980
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -147.023554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.023554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.023554 (E_RNA)
where:
Base-Base interactions energy: -89.984
where: short stacking energy: -49.540
Base-Backbone interact. energy: -0.236
local terms energy: -56.802864
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -4.314
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (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: 142
Temperature: 0.900000
Total energy: -244.977347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.977347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.016705 (E_RNA)
where:
Base-Base interactions energy: -156.555
where: short stacking energy: -85.737
Base-Backbone interact. energy: -0.451
local terms energy: -88.010054
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -25.172
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: 142
Temperature: 0.950000
Total energy: -202.449048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.449048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.511084 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -71.109
Base-Backbone interact. energy: -0.010
local terms energy: -74.217516
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -213.235754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.235754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.117212 (E_RNA)
where:
Base-Base interactions energy: -139.541
where: short stacking energy: -82.560
Base-Backbone interact. energy: -0.005
local terms energy: -74.571277
where:
bonds (distance) C4'-P energy: -11.012
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -195.959002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.959002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.584327 (E_RNA)
where:
Base-Base interactions energy: -125.721
where: short stacking energy: -63.891
Base-Backbone interact. energy: -1.156
local terms energy: -69.706998
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -198.059543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.059543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.713552 (E_RNA)
where:
Base-Base interactions energy: -129.405
where: short stacking energy: -65.122
Base-Backbone interact. energy: -0.057
local terms energy: -69.251364
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -170.200026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.200026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.219391 (E_RNA)
where:
Base-Base interactions energy: -104.946
where: short stacking energy: -65.173
Base-Backbone interact. energy: -0.115
local terms energy: -65.158442
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -1.102
tors. eta vs tors. theta energy: -11.920
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: 142
Temperature: 1.200000
Total energy: -182.234886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.234886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.257524 (E_RNA)
where:
Base-Base interactions energy: -115.614
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.104
local terms energy: -66.540184
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -17.362
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: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -160.881115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.881115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.881403 (E_RNA)
where:
Base-Base interactions energy: -96.544
where: short stacking energy: -56.033
Base-Backbone interact. energy: -0.126
local terms energy: -64.212013
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -12.340
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: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -152.418335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.418335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.468417 (E_RNA)
where:
Base-Base interactions energy: -97.795
where: short stacking energy: -51.861
Base-Backbone interact. energy: -0.030
local terms energy: -54.643470
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -8.454
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: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -160.830962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.830962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.836382 (E_RNA)
where:
Base-Base interactions energy: -97.299
where: short stacking energy: -49.372
Base-Backbone interact. energy: -0.495
local terms energy: -63.042361
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -11.406
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: 143
Temperature: 0.900000
Total energy: -243.464747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.464747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.801372 (E_RNA)
where:
Base-Base interactions energy: -154.181
where: short stacking energy: -85.446
Base-Backbone interact. energy: -0.261
local terms energy: -89.360182
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -24.204
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: 2, replica: 6
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -200.350658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.350658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.397599 (E_RNA)
where:
Base-Base interactions energy: -122.421
where: short stacking energy: -78.206
Base-Backbone interact. energy: 0.017
local terms energy: -77.994138
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -18.357
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: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -188.808447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.808447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.522891 (E_RNA)
where:
Base-Base interactions energy: -128.706
where: short stacking energy: -73.584
Base-Backbone interact. energy: -0.903
local terms energy: -60.913910
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 1.714 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -201.997597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.997597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.771308 (E_RNA)
where:
Base-Base interactions energy: -131.182
where: short stacking energy: -76.787
Base-Backbone interact. energy: -0.509
local terms energy: -72.080331
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 1.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -178.788276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.788276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.913558 (E_RNA)
where:
Base-Base interactions energy: -108.808
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.605
local terms energy: -69.500822
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -176.452656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.452656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.518399 (E_RNA)
where:
Base-Base interactions energy: -105.100
where: short stacking energy: -58.249
Base-Backbone interact. energy: -1.411
local terms energy: -70.007717
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -16.627
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: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -159.884025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.884025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.312512 (E_RNA)
where:
Base-Base interactions energy: -92.552
where: short stacking energy: -57.574
Base-Backbone interact. energy: 0.574
local terms energy: -68.333810
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -13.242
tors. eta vs tors. theta energy: -9.962
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -166.230604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.230604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.663462 (E_RNA)
where:
Base-Base interactions energy: -101.389
where: short stacking energy: -54.880
Base-Backbone interact. energy: -0.009
local terms energy: -65.266063
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -14.181
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -148.744872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.744872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.149270 (E_RNA)
where:
Base-Base interactions energy: -89.852
where: short stacking energy: -48.482
Base-Backbone interact. energy: 0.387
local terms energy: -59.684293
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -7.950
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -151.595153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.595153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.149750 (E_RNA)
where:
Base-Base interactions energy: -99.167
where: short stacking energy: -51.127
Base-Backbone interact. energy: -0.416
local terms energy: -52.566458
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -1.227
tors. eta vs tors. theta energy: -10.560
Dist. restrs. and SS energy: 0.555 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -213.418148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.418148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.858717 (E_RNA)
where:
Base-Base interactions energy: -137.526
where: short stacking energy: -68.586
Base-Backbone interact. energy: -0.855
local terms energy: -76.478178
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -223.886916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.886916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.125061 (E_RNA)
where:
Base-Base interactions energy: -152.520
where: short stacking energy: -78.657
Base-Backbone interact. energy: 1.497
local terms energy: -74.101926
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 1.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -226.054776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.054776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.747564 (E_RNA)
where:
Base-Base interactions energy: -147.840
where: short stacking energy: -75.566
Base-Backbone interact. energy: -0.005
local terms energy: -78.902367
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -17.637
Dist. restrs. and SS energy: 0.693 (S_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: 144
Temperature: 1.050000
Total energy: -223.064967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.064967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.067060 (E_RNA)
where:
Base-Base interactions energy: -145.002
where: short stacking energy: -78.346
Base-Backbone interact. energy: -0.722
local terms energy: -77.342670
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -19.051
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: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -185.956163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.956163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.900873 (E_RNA)
where:
Base-Base interactions energy: -110.917
where: short stacking energy: -65.182
Base-Backbone interact. energy: -0.139
local terms energy: -75.845082
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.945 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -178.053982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.053982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.088016 (E_RNA)
where:
Base-Base interactions energy: -106.249
where: short stacking energy: -50.968
Base-Backbone interact. energy: -0.565
local terms energy: -71.273803
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -14.313
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: 144
Temperature: 1.200000
Total energy: -164.688120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.688120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.707767 (E_RNA)
where:
Base-Base interactions energy: -106.377
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.119
local terms energy: -58.212108
where:
bonds (distance) C4'-P energy: -6.252
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -12.526
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: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -164.981663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.981663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.858948 (E_RNA)
where:
Base-Base interactions energy: -114.939
where: short stacking energy: -56.221
Base-Backbone interact. energy: -0.151
local terms energy: -50.768697
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: 0.458
tors. eta vs tors. theta energy: -8.616
Dist. restrs. and SS energy: 0.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -160.421053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.421053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.633916 (E_RNA)
where:
Base-Base interactions energy: -99.127
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.831
local terms energy: -60.676245
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -5.810
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: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -148.701616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.701616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.734892 (E_RNA)
where:
Base-Base interactions energy: -88.255
where: short stacking energy: -50.023
Base-Backbone interact. energy: -0.099
local terms energy: -60.380717
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -12.896
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: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -233.451530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.451530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.535494 (E_RNA)
where:
Base-Base interactions energy: -147.900
where: short stacking energy: -78.143
Base-Backbone interact. energy: -0.002
local terms energy: -86.633542
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 1.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -232.852580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.852580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.079862 (E_RNA)
where:
Base-Base interactions energy: -147.150
where: short stacking energy: -80.693
Base-Backbone interact. energy: -0.558
local terms energy: -85.372402
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -24.992
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -204.524576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.524576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.781061 (E_RNA)
where:
Base-Base interactions energy: -132.976
where: short stacking energy: -72.469
Base-Backbone interact. energy: -0.068
local terms energy: -71.737362
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -17.410
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: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -233.053164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.053164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.175794 (E_RNA)
where:
Base-Base interactions energy: -149.146
where: short stacking energy: -73.586
Base-Backbone interact. energy: -0.067
local terms energy: -83.962451
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -179.086902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.086902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.141741 (E_RNA)
where:
Base-Base interactions energy: -117.937
where: short stacking energy: -56.679
Base-Backbone interact. energy: -1.401
local terms energy: -59.804520
where:
bonds (distance) C4'-P energy: -6.639
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -12.874
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: 145
Temperature: 1.150000
Total energy: -164.877762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.877762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.883401 (E_RNA)
where:
Base-Base interactions energy: -103.708
where: short stacking energy: -53.185
Base-Backbone interact. energy: -0.082
local terms energy: -61.093468
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -10.321
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: 7, replica: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -188.847221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.847221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.915187 (E_RNA)
where:
Base-Base interactions energy: -113.949
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.001
local terms energy: -74.965198
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -17.395
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: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -157.317837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.317837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.581544 (E_RNA)
where:
Base-Base interactions energy: -97.162
where: short stacking energy: -52.428
Base-Backbone interact. energy: -0.007
local terms energy: -60.412454
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -156.643391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.643391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.046957 (E_RNA)
where:
Base-Base interactions energy: -96.560
where: short stacking energy: -59.892
Base-Backbone interact. energy: -0.284
local terms energy: -60.202806
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.404 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -151.663852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.663852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.927674 (E_RNA)
where:
Base-Base interactions energy: -98.707
where: short stacking energy: -53.250
Base-Backbone interact. energy: -0.748
local terms energy: -52.472092
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -238.545371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.545371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.398888 (E_RNA)
where:
Base-Base interactions energy: -157.585
where: short stacking energy: -81.619
Base-Backbone interact. energy: -0.332
local terms energy: -82.481480
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 1.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -217.326528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.326528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.554478 (E_RNA)
where:
Base-Base interactions energy: -137.398
where: short stacking energy: -84.194
Base-Backbone interact. energy: -0.099
local terms energy: -80.058051
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -22.417
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: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -230.591911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.591911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.593936 (E_RNA)
where:
Base-Base interactions energy: -153.995
where: short stacking energy: -86.211
Base-Backbone interact. energy: -0.001
local terms energy: -76.597868
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -20.651
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: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -204.262722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.262722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.135502 (E_RNA)
where:
Base-Base interactions energy: -132.485
where: short stacking energy: -76.418
Base-Backbone interact. energy: 0.639
local terms energy: -73.288971
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -182.271125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.271125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.331019 (E_RNA)
where:
Base-Base interactions energy: -108.433
where: short stacking energy: -64.731
Base-Backbone interact. energy: -0.088
local terms energy: -73.809750
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -14.492
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: 146
Temperature: 1.150000
Total energy: -168.589292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.589292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.648278 (E_RNA)
where:
Base-Base interactions energy: -102.929
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.171
local terms energy: -65.548363
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -10.476
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: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -180.634567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.634567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.638882 (E_RNA)
where:
Base-Base interactions energy: -117.037
where: short stacking energy: -64.294
Base-Backbone interact. energy: 0.306
local terms energy: -63.907131
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -15.434
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: 146
Temperature: 1.250000
Total energy: -155.440976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.440976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.658603 (E_RNA)
where:
Base-Base interactions energy: -87.594
where: short stacking energy: -51.230
Base-Backbone interact. energy: -0.016
local terms energy: -68.047659
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -9.644
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: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -150.745049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.745049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.835651 (E_RNA)
where:
Base-Base interactions energy: -93.479
where: short stacking energy: -51.532
Base-Backbone interact. energy: -2.501
local terms energy: -54.855588
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -10.491
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: 146
Temperature: 1.350000
Total energy: -168.347609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.347609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.360527 (E_RNA)
where:
Base-Base interactions energy: -110.027
where: short stacking energy: -72.760
Base-Backbone interact. energy: -0.408
local terms energy: -57.925955
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -14.902
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: 147
Temperature: 0.900000
Total energy: -236.519487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.519487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.287739 (E_RNA)
where:
Base-Base interactions energy: -146.513
where: short stacking energy: -77.417
Base-Backbone interact. energy: -0.052
local terms energy: -90.722123
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -232.409512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.409512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.488569 (E_RNA)
where:
Base-Base interactions energy: -151.209
where: short stacking energy: -79.238
Base-Backbone interact. energy: -0.001
local terms energy: -82.278586
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -21.468
Dist. restrs. and SS energy: 1.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -215.122630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.122630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.687375 (E_RNA)
where:
Base-Base interactions energy: -144.397
where: short stacking energy: -60.282
Base-Backbone interact. energy: 0.786
local terms energy: -72.076467
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -195.337749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.337749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.076286 (E_RNA)
where:
Base-Base interactions energy: -120.400
where: short stacking energy: -72.176
Base-Backbone interact. energy: -0.835
local terms energy: -75.840866
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 1.739 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -190.177949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.177949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.075489 (E_RNA)
where:
Base-Base interactions energy: -121.297
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.001
local terms energy: -69.777324
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -167.913030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.913030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.964774 (E_RNA)
where:
Base-Base interactions energy: -110.768
where: short stacking energy: -69.569
Base-Backbone interact. energy: -0.051
local terms energy: -57.145591
where:
bonds (distance) C4'-P energy: -3.859
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -11.415
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: 147
Temperature: 1.200000
Total energy: -175.018004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.018004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.101144 (E_RNA)
where:
Base-Base interactions energy: -109.944
where: short stacking energy: -66.821
Base-Backbone interact. energy: -0.004
local terms energy: -65.152681
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -14.779
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: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -167.073255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.073255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.182695 (E_RNA)
where:
Base-Base interactions energy: -99.538
where: short stacking energy: -54.120
Base-Backbone interact. energy: -0.809
local terms energy: -66.835923
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -13.212
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: 2
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -153.691039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.691039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.782807 (E_RNA)
where:
Base-Base interactions energy: -96.932
where: short stacking energy: -58.779
Base-Backbone interact. energy: -0.122
local terms energy: -56.728632
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -10.647
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: 5
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -157.647930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.647930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.937503 (E_RNA)
where:
Base-Base interactions energy: -107.553
where: short stacking energy: -50.043
Base-Backbone interact. energy: -0.066
local terms energy: -51.318829
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -7.374
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 1.290 (S_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: 148
Temperature: 0.900000
Total energy: -239.887891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.887891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.111195 (E_RNA)
where:
Base-Base interactions energy: -161.877
where: short stacking energy: -81.550
Base-Backbone interact. energy: 1.821
local terms energy: -81.055520
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 1.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -234.373717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.373717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.282562 (E_RNA)
where:
Base-Base interactions energy: -156.850
where: short stacking energy: -86.001
Base-Backbone interact. energy: -0.098
local terms energy: -79.334368
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 1.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -201.549760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.549760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.930585 (E_RNA)
where:
Base-Base interactions energy: -125.226
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.176
local terms energy: -76.528234
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -214.201764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.201764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.492374 (E_RNA)
where:
Base-Base interactions energy: -134.620
where: short stacking energy: -80.861
Base-Backbone interact. energy: -0.767
local terms energy: -79.105364
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -182.320789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.320789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.721294 (E_RNA)
where:
Base-Base interactions energy: -122.221
where: short stacking energy: -73.443
Base-Backbone interact. energy: -0.048
local terms energy: -61.451711
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -188.389399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.389399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.289143 (E_RNA)
where:
Base-Base interactions energy: -114.019
where: short stacking energy: -64.651
Base-Backbone interact. energy: -0.762
local terms energy: -75.507984
where:
bonds (distance) C4'-P energy: -7.042
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 1.900 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -184.898807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.898807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.063310 (E_RNA)
where:
Base-Base interactions energy: -119.397
where: short stacking energy: -71.878
Base-Backbone interact. energy: -0.186
local terms energy: -65.480589
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -16.148
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: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -152.704326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.704326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.711768 (E_RNA)
where:
Base-Base interactions energy: -97.180
where: short stacking energy: -56.102
Base-Backbone interact. energy: -0.265
local terms energy: -55.266764
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -9.278
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -12.718
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: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -173.386490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.386490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.386490 (E_RNA)
where:
Base-Base interactions energy: -109.644
where: short stacking energy: -54.782
Base-Backbone interact. energy: -0.288
local terms energy: -63.455013
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (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: 148
Temperature: 1.350000
Total energy: -160.917668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.917668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.144991 (E_RNA)
where:
Base-Base interactions energy: -101.770
where: short stacking energy: -61.421
Base-Backbone interact. energy: 0.322
local terms energy: -59.697654
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -7.806
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -242.498806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.498806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.513210 (E_RNA)
where:
Base-Base interactions energy: -157.288
where: short stacking energy: -79.214
Base-Backbone interact. energy: 0.704
local terms energy: -85.928711
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -22.156
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: 149
Temperature: 0.950000
Total energy: -232.908046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.908046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.535855 (E_RNA)
where:
Base-Base interactions energy: -145.025
where: short stacking energy: -75.628
Base-Backbone interact. energy: -0.501
local terms energy: -88.010420
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -208.370796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.370796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.403819 (E_RNA)
where:
Base-Base interactions energy: -136.297
where: short stacking energy: -74.586
Base-Backbone interact. energy: -0.026
local terms energy: -72.080493
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -16.794
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: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -208.935494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.935494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.956429 (E_RNA)
where:
Base-Base interactions energy: -141.888
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.096
local terms energy: -66.972884
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -15.935
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: 149
Temperature: 1.100000
Total energy: -179.162790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.162790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.196629 (E_RNA)
where:
Base-Base interactions energy: -110.531
where: short stacking energy: -69.335
Base-Backbone interact. energy: -0.144
local terms energy: -68.521212
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -17.706
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: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -162.089612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.089612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.484678 (E_RNA)
where:
Base-Base interactions energy: -93.341
where: short stacking energy: -48.276
Base-Backbone interact. energy: 0.591
local terms energy: -69.734032
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.395 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -167.842692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.842692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.852545 (E_RNA)
where:
Base-Base interactions energy: -103.544
where: short stacking energy: -63.863
Base-Backbone interact. energy: -0.486
local terms energy: -63.823091
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -10.462
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: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -177.147313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.147313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.185606 (E_RNA)
where:
Base-Base interactions energy: -112.852
where: short stacking energy: -65.093
Base-Backbone interact. energy: 0.269
local terms energy: -64.603205
where:
bonds (distance) C4'-P energy: -7.321
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -14.426
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: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -163.427195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.427195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.643651 (E_RNA)
where:
Base-Base interactions energy: -107.146
where: short stacking energy: -45.447
Base-Backbone interact. energy: 1.073
local terms energy: -57.569723
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -9.997
flat angles P-C4'-P energy: -13.161
tors. eta vs tors. theta energy: -7.112
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: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -152.500641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.500641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.539883 (E_RNA)
where:
Base-Base interactions energy: -92.246
where: short stacking energy: -55.042
Base-Backbone interact. energy: -0.015
local terms energy: -60.279656
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -8.003
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: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -239.417677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.417677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.500868 (E_RNA)
where:
Base-Base interactions energy: -157.164
where: short stacking energy: -86.264
Base-Backbone interact. energy: -1.005
local terms energy: -81.331970
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -210.697405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.697405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.338644 (E_RNA)
where:
Base-Base interactions energy: -132.244
where: short stacking energy: -71.739
Base-Backbone interact. energy: 0.998
local terms energy: -80.092308
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -228.485585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.485585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.695527 (E_RNA)
where:
Base-Base interactions energy: -152.688
where: short stacking energy: -78.558
Base-Backbone interact. energy: -0.078
local terms energy: -75.928789
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -24.301
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: 150
Temperature: 1.050000
Total energy: -202.099402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.099402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.434213 (E_RNA)
where:
Base-Base interactions energy: -136.243
where: short stacking energy: -66.667
Base-Backbone interact. energy: -0.949
local terms energy: -67.242247
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 2.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -185.263193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.263193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.459707 (E_RNA)
where:
Base-Base interactions energy: -106.756
where: short stacking energy: -65.445
Base-Backbone interact. energy: -0.056
local terms energy: -78.647302
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -16.478
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: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -171.893214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.893214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.007038 (E_RNA)
where:
Base-Base interactions energy: -101.309
where: short stacking energy: -62.080
Base-Backbone interact. energy: -0.088
local terms energy: -70.610056
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -13.989
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: 5
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -174.566396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.566396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.592191 (E_RNA)
where:
Base-Base interactions energy: -108.389
where: short stacking energy: -58.230
Base-Backbone interact. energy: -0.605
local terms energy: -65.598380
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -13.877
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: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -153.877452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.877452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.901894 (E_RNA)
where:
Base-Base interactions energy: -101.622
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.200
local terms energy: -52.080331
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -7.464
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: 150
Temperature: 1.300000
Total energy: -166.698164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.698164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.130526 (E_RNA)
where:
Base-Base interactions energy: -102.591
where: short stacking energy: -63.054
Base-Backbone interact. energy: -0.136
local terms energy: -64.403279
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -11.819
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: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -148.723073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.723073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.344521 (E_RNA)
where:
Base-Base interactions energy: -88.215
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.820
local terms energy: -60.309927
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -235.950506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.950506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.001389 (E_RNA)
where:
Base-Base interactions energy: -154.803
where: short stacking energy: -86.370
Base-Backbone interact. energy: -0.039
local terms energy: -81.159645
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -232.752156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.752156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.822839 (E_RNA)
where:
Base-Base interactions energy: -156.620
where: short stacking energy: -88.319
Base-Backbone interact. energy: -0.023
local terms energy: -76.179410
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -22.071
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: 6
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -223.881337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.881337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.002759 (E_RNA)
where:
Base-Base interactions energy: -145.682
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.127
local terms energy: -78.194298
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -18.441
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: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -188.233359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.233359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.341680 (E_RNA)
where:
Base-Base interactions energy: -113.932
where: short stacking energy: -68.899
Base-Backbone interact. energy: -0.022
local terms energy: -74.387997
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -207.564301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.564301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.603499 (E_RNA)
where:
Base-Base interactions energy: -135.160
where: short stacking energy: -76.111
Base-Backbone interact. energy: -0.916
local terms energy: -71.527785
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -19.122
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: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -177.374838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.374838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.550288 (E_RNA)
where:
Base-Base interactions energy: -105.327
where: short stacking energy: -67.163
Base-Backbone interact. energy: -0.048
local terms energy: -72.175470
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -14.425
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: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -172.000857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.000857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.952559 (E_RNA)
where:
Base-Base interactions energy: -102.658
where: short stacking energy: -61.875
Base-Backbone interact. energy: -0.433
local terms energy: -69.861867
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.952 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -159.251153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.251153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.574723 (E_RNA)
where:
Base-Base interactions energy: -108.009
where: short stacking energy: -56.501
Base-Backbone interact. energy: 3.382
local terms energy: -54.947709
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -8.688
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -161.320002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.320002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.514692 (E_RNA)
where:
Base-Base interactions energy: -94.173
where: short stacking energy: -53.295
Base-Backbone interact. energy: -0.199
local terms energy: -67.142693
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -11.098
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: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -165.039389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.039389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.102903 (E_RNA)
where:
Base-Base interactions energy: -108.350
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.052
local terms energy: -56.700814
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -7.895
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -9.869
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: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -244.408456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.408456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.533470 (E_RNA)
where:
Base-Base interactions energy: -155.314
where: short stacking energy: -87.657
Base-Backbone interact. energy: -0.201
local terms energy: -89.018463
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -23.858
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: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -234.123349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.123349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.123349 (E_RNA)
where:
Base-Base interactions energy: -152.500
where: short stacking energy: -85.810
Base-Backbone interact. energy: -0.121
local terms energy: -81.502640
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -25.849
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: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -222.740147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.740147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.769735 (E_RNA)
where:
Base-Base interactions energy: -141.937
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.009
local terms energy: -80.824136
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -19.967
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: 152
Temperature: 1.050000
Total energy: -174.427379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.427379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.466409 (E_RNA)
where:
Base-Base interactions energy: -105.292
where: short stacking energy: -60.700
Base-Backbone interact. energy: -0.057
local terms energy: -69.117633
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -11.128
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: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -190.396615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.396615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.028947 (E_RNA)
where:
Base-Base interactions energy: -126.063
where: short stacking energy: -59.463
Base-Backbone interact. energy: -0.027
local terms energy: -64.938187
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -171.585423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.585423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.887126 (E_RNA)
where:
Base-Base interactions energy: -98.450
where: short stacking energy: -61.829
Base-Backbone interact. energy: -0.448
local terms energy: -72.988588
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -169.072188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.072188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.178012 (E_RNA)
where:
Base-Base interactions energy: -102.836
where: short stacking energy: -62.788
Base-Backbone interact. energy: -0.018
local terms energy: -66.323975
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -12.363
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -150.199908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.199908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.227088 (E_RNA)
where:
Base-Base interactions energy: -87.980
where: short stacking energy: -43.294
Base-Backbone interact. energy: -1.765
local terms energy: -60.482746
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -6.268
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: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -161.090908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.090908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.176597 (E_RNA)
where:
Base-Base interactions energy: -99.871
where: short stacking energy: -56.850
Base-Backbone interact. energy: 0.099
local terms energy: -61.404306
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -11.425
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: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -159.910906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.910906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.543726 (E_RNA)
where:
Base-Base interactions energy: -99.729
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.034
local terms energy: -61.780795
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -9.081
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 1.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -250.942900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.942900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.816547 (E_RNA)
where:
Base-Base interactions energy: -163.472
where: short stacking energy: -90.242
Base-Backbone interact. energy: -0.325
local terms energy: -88.019458
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -237.289637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.289637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.519965 (E_RNA)
where:
Base-Base interactions energy: -156.915
where: short stacking energy: -83.000
Base-Backbone interact. energy: -0.022
local terms energy: -80.582035
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -198.503817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.503817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.560595 (E_RNA)
where:
Base-Base interactions energy: -125.586
where: short stacking energy: -64.420
Base-Backbone interact. energy: -1.158
local terms energy: -71.816728
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -15.696
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -14.662
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: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -218.908889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.908889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.085003 (E_RNA)
where:
Base-Base interactions energy: -146.850
where: short stacking energy: -77.876
Base-Backbone interact. energy: -0.101
local terms energy: -73.134232
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 1.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -175.423792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.423792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.531338 (E_RNA)
where:
Base-Base interactions energy: -108.233
where: short stacking energy: -63.391
Base-Backbone interact. energy: -1.244
local terms energy: -66.054245
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -11.317
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: 2
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -174.475194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.475194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.485998 (E_RNA)
where:
Base-Base interactions energy: -117.442
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.058
local terms energy: -56.985929
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -12.872
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: 5
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -173.874581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.874581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.880338 (E_RNA)
where:
Base-Base interactions energy: -108.490
where: short stacking energy: -63.367
Base-Backbone interact. energy: -0.601
local terms energy: -64.790185
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -11.827
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: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -156.127967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.127967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.568240 (E_RNA)
where:
Base-Base interactions energy: -101.200
where: short stacking energy: -50.686
Base-Backbone interact. energy: -0.012
local terms energy: -55.356346
where:
bonds (distance) C4'-P energy: -8.205
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -160.286740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.286740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.623811 (E_RNA)
where:
Base-Base interactions energy: -98.829
where: short stacking energy: -56.699
Base-Backbone interact. energy: -0.025
local terms energy: -61.770201
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -5.504
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -16.172
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: 153
Temperature: 1.350000
Total energy: -163.756831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.756831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.775491 (E_RNA)
where:
Base-Base interactions energy: -110.792
where: short stacking energy: -64.722
Base-Backbone interact. energy: -0.023
local terms energy: -52.960911
where:
bonds (distance) C4'-P energy: -3.487
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -8.482
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -18.685
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: 9
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -235.060306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.060306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.317344 (E_RNA)
where:
Base-Base interactions energy: -153.503
where: short stacking energy: -81.466
Base-Backbone interact. energy: 0.956
local terms energy: -82.770161
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -23.138
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: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -225.517545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.517545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.842903 (E_RNA)
where:
Base-Base interactions energy: -143.946
where: short stacking energy: -74.156
Base-Backbone interact. energy: -0.017
local terms energy: -81.880026
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -17.534
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -227.864840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.864840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.246599 (E_RNA)
where:
Base-Base interactions energy: -146.361
where: short stacking energy: -76.186
Base-Backbone interact. energy: -0.020
local terms energy: -81.865599
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -188.137145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.137145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.265837 (E_RNA)
where:
Base-Base interactions energy: -118.993
where: short stacking energy: -72.676
Base-Backbone interact. energy: -0.091
local terms energy: -69.181751
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -180.165739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.165739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.165739 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.628
local terms energy: -71.366237
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (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: 154
Temperature: 1.150000
Total energy: -187.636733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.636733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.636733 (E_RNA)
where:
Base-Base interactions energy: -124.605
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.007
local terms energy: -63.025485
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 0.000 (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: 154
Temperature: 1.200000
Total energy: -158.842058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.842058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.975457 (E_RNA)
where:
Base-Base interactions energy: -93.861
where: short stacking energy: -52.801
Base-Backbone interact. energy: -0.137
local terms energy: -64.976722
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -11.071
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: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -161.126545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.126545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.334214 (E_RNA)
where:
Base-Base interactions energy: -100.311
where: short stacking energy: -61.649
Base-Backbone interact. energy: -0.214
local terms energy: -60.809689
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -9.935
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: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -154.959442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.959442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.297694 (E_RNA)
where:
Base-Base interactions energy: -87.746
where: short stacking energy: -57.333
Base-Backbone interact. energy: -0.042
local terms energy: -67.509557
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -149.756455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.756455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.914605 (E_RNA)
where:
Base-Base interactions energy: -85.218
where: short stacking energy: -43.942
Base-Backbone interact. energy: -0.222
local terms energy: -64.475148
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -13.376
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: 155
Temperature: 0.900000
Total energy: -239.550039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.550039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.685347 (E_RNA)
where:
Base-Base interactions energy: -153.794
where: short stacking energy: -83.613
Base-Backbone interact. energy: -0.021
local terms energy: -86.869733
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 1.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -238.363460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.363460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.136571 (E_RNA)
where:
Base-Base interactions energy: -155.311
where: short stacking energy: -81.633
Base-Backbone interact. energy: -1.201
local terms energy: -82.624352
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -25.099
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: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -227.380911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.380911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.535340 (E_RNA)
where:
Base-Base interactions energy: -148.816
where: short stacking energy: -77.920
Base-Backbone interact. energy: -0.143
local terms energy: -79.577163
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 1.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -202.504055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.504055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.721585 (E_RNA)
where:
Base-Base interactions energy: -130.091
where: short stacking energy: -71.252
Base-Backbone interact. energy: -0.572
local terms energy: -73.058611
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 1.218 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -174.213497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.213497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.252280 (E_RNA)
where:
Base-Base interactions energy: -106.880
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.019
local terms energy: -67.353502
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -181.457508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.457508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.543238 (E_RNA)
where:
Base-Base interactions energy: -116.731
where: short stacking energy: -58.551
Base-Backbone interact. energy: 1.408
local terms energy: -66.220203
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -13.067
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: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -174.548837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.548837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.671679 (E_RNA)
where:
Base-Base interactions energy: -108.195
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.051
local terms energy: -66.426119
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -17.041
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -167.147151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.147151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.277140 (E_RNA)
where:
Base-Base interactions energy: -97.044
where: short stacking energy: -58.313
Base-Backbone interact. energy: -0.325
local terms energy: -69.908314
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -17.724
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -165.594237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.594237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.656087 (E_RNA)
where:
Base-Base interactions energy: -106.358
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.056
local terms energy: -59.242013
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -15.365
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: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -167.554784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.554784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.093764 (E_RNA)
where:
Base-Base interactions energy: -106.211
where: short stacking energy: -52.107
Base-Backbone interact. energy: -1.607
local terms energy: -60.276128
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -241.096707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.096707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.174419 (E_RNA)
where:
Base-Base interactions energy: -160.279
where: short stacking energy: -87.059
Base-Backbone interact. energy: -0.041
local terms energy: -80.854285
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -23.763
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: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -240.397514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.397514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.632732 (E_RNA)
where:
Base-Base interactions energy: -160.776
where: short stacking energy: -80.061
Base-Backbone interact. energy: -0.006
local terms energy: -80.849938
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 1.235 (S_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: 156
Temperature: 1.000000
Total energy: -220.093400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.093400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.976523 (E_RNA)
where:
Base-Base interactions energy: -143.624
where: short stacking energy: -76.566
Base-Backbone interact. energy: -0.415
local terms energy: -77.936724
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 1.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -187.926550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.926550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.261487 (E_RNA)
where:
Base-Base interactions energy: -114.090
where: short stacking energy: -63.949
Base-Backbone interact. energy: -0.038
local terms energy: -74.133107
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -17.404
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -219.636397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.636397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.227803 (E_RNA)
where:
Base-Base interactions energy: -142.727
where: short stacking energy: -70.282
Base-Backbone interact. energy: -0.080
local terms energy: -77.421493
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -174.651601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.651601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.802074 (E_RNA)
where:
Base-Base interactions energy: -111.856
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.018
local terms energy: -62.928416
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -5.121
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -183.696000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.696000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.710579 (E_RNA)
where:
Base-Base interactions energy: -116.013
where: short stacking energy: -62.930
Base-Backbone interact. energy: 0.541
local terms energy: -68.238327
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -13.146
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: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -161.212273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.212273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.212273 (E_RNA)
where:
Base-Base interactions energy: -101.090
where: short stacking energy: -56.631
Base-Backbone interact. energy: -0.041
local terms energy: -60.081774
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (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: 156
Temperature: 1.300000
Total energy: -159.779947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.779947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.003082 (E_RNA)
where:
Base-Base interactions energy: -92.494
where: short stacking energy: -54.104
Base-Backbone interact. energy: 2.495
local terms energy: -70.003848
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -156.180973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.180973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.313819 (E_RNA)
where:
Base-Base interactions energy: -95.389
where: short stacking energy: -51.042
Base-Backbone interact. energy: -0.094
local terms energy: -60.831200
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -10.711
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -240.120317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.120317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.120317 (E_RNA)
where:
Base-Base interactions energy: -154.673
where: short stacking energy: -80.739
Base-Backbone interact. energy: -0.077
local terms energy: -85.370257
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -22.011
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: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -230.711724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.711724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.711724 (E_RNA)
where:
Base-Base interactions energy: -146.094
where: short stacking energy: -75.785
Base-Backbone interact. energy: -0.104
local terms energy: -84.513274
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -21.727
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: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -232.319819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.319819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.187565 (E_RNA)
where:
Base-Base interactions energy: -154.815
where: short stacking energy: -80.714
Base-Backbone interact. energy: -0.292
local terms energy: -78.080671
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.868 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -206.744808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.744808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.905415 (E_RNA)
where:
Base-Base interactions energy: -135.178
where: short stacking energy: -83.893
Base-Backbone interact. energy: -0.005
local terms energy: -71.721941
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -19.651
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -185.620564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.620564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.636497 (E_RNA)
where:
Base-Base interactions energy: -110.974
where: short stacking energy: -64.906
Base-Backbone interact. energy: -0.284
local terms energy: -74.378643
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -16.149
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: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -179.694116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.694116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.906206 (E_RNA)
where:
Base-Base interactions energy: -104.573
where: short stacking energy: -64.462
Base-Backbone interact. energy: 1.115
local terms energy: -76.448537
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -16.566
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: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -178.855572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.855572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.117740 (E_RNA)
where:
Base-Base interactions energy: -111.804
where: short stacking energy: -72.166
Base-Backbone interact. energy: -0.012
local terms energy: -67.300855
where:
bonds (distance) C4'-P energy: -10.834
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -166.665743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.665743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.709890 (E_RNA)
where:
Base-Base interactions energy: -102.874
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.225
local terms energy: -63.610833
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -10.106
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: 9, replica: 10
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -162.526859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.526859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.628820 (E_RNA)
where:
Base-Base interactions energy: -98.437
where: short stacking energy: -61.595
Base-Backbone interact. energy: 0.777
local terms energy: -64.968809
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -154.309836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.309836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.428524 (E_RNA)
where:
Base-Base interactions energy: -89.346
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.116
local terms energy: -64.966259
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -11.065
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: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -239.053076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.053076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.053076 (E_RNA)
where:
Base-Base interactions energy: -154.157
where: short stacking energy: -82.054
Base-Backbone interact. energy: -0.110
local terms energy: -84.786510
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -25.530
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: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -231.292015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.292015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.607670 (E_RNA)
where:
Base-Base interactions energy: -151.959
where: short stacking energy: -85.431
Base-Backbone interact. energy: -0.082
local terms energy: -79.566312
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -23.532
Dist. restrs. and SS energy: 0.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -207.956594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.956594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.157100 (E_RNA)
where:
Base-Base interactions energy: -133.844
where: short stacking energy: -70.413
Base-Backbone interact. energy: 0.225
local terms energy: -74.537234
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -19.479
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: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -211.565883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.565883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.635555 (E_RNA)
where:
Base-Base interactions energy: -141.157
where: short stacking energy: -76.073
Base-Backbone interact. energy: -0.551
local terms energy: -69.927206
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -19.116
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: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -181.661280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.661280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.734033 (E_RNA)
where:
Base-Base interactions energy: -122.831
where: short stacking energy: -78.612
Base-Backbone interact. energy: -0.294
local terms energy: -58.608994
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -17.309
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: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -184.769985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.769985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.045288 (E_RNA)
where:
Base-Base interactions energy: -112.938
where: short stacking energy: -50.272
Base-Backbone interact. energy: -1.731
local terms energy: -70.376838
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -190.965611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.965611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.290696 (E_RNA)
where:
Base-Base interactions energy: -119.996
where: short stacking energy: -73.272
Base-Backbone interact. energy: -0.193
local terms energy: -71.101982
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -20.056
Dist. restrs. and SS energy: 0.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -171.943081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.943081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.951860 (E_RNA)
where:
Base-Base interactions energy: -115.373
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.089
local terms energy: -56.490334
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -8.233
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -14.452
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: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -174.972756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.972756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.977580 (E_RNA)
where:
Base-Base interactions energy: -94.633
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.154
local terms energy: -80.190022
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -16.490
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: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -140.383853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.383853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.399659 (E_RNA)
where:
Base-Base interactions energy: -92.607
where: short stacking energy: -48.388
Base-Backbone interact. energy: -0.170
local terms energy: -47.623562
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -8.288
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -8.927
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: 159
Temperature: 0.900000
Total energy: -237.364351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.364351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.578937 (E_RNA)
where:
Base-Base interactions energy: -156.598
where: short stacking energy: -85.785
Base-Backbone interact. energy: -0.129
local terms energy: -82.851527
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 2.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -233.498247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.498247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.507519 (E_RNA)
where:
Base-Base interactions energy: -148.681
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.016
local terms energy: -86.810660
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 2.009 (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: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -207.101981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.101981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.628687 (E_RNA)
where:
Base-Base interactions energy: -135.097
where: short stacking energy: -74.439
Base-Backbone interact. energy: -0.628
local terms energy: -71.903740
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.527 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -181.688956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.688956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.731113 (E_RNA)
where:
Base-Base interactions energy: -108.555
where: short stacking energy: -68.125
Base-Backbone interact. energy: -0.056
local terms energy: -73.120106
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -13.424
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: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -196.232095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.232095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.673533 (E_RNA)
where:
Base-Base interactions energy: -126.008
where: short stacking energy: -66.092
Base-Backbone interact. energy: -0.075
local terms energy: -71.590383
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 1.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -178.139954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.139954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.857012 (E_RNA)
where:
Base-Base interactions energy: -116.565
where: short stacking energy: -64.444
Base-Backbone interact. energy: -0.202
local terms energy: -63.089893
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 1.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -182.737289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.737289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.784710 (E_RNA)
where:
Base-Base interactions energy: -120.863
where: short stacking energy: -65.336
Base-Backbone interact. energy: 1.563
local terms energy: -65.485166
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -13.720
Dist. restrs. and SS energy: 2.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -177.527701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.527701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.548733 (E_RNA)
where:
Base-Base interactions energy: -107.900
where: short stacking energy: -64.224
Base-Backbone interact. energy: -0.039
local terms energy: -69.609459
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -15.088
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: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -172.855813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.855813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.581143 (E_RNA)
where:
Base-Base interactions energy: -107.028
where: short stacking energy: -56.249
Base-Backbone interact. energy: -0.029
local terms energy: -66.524878
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -158.717223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.717223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.233532 (E_RNA)
where:
Base-Base interactions energy: -97.267
where: short stacking energy: -53.901
Base-Backbone interact. energy: 0.933
local terms energy: -62.899803
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -238.602382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.602382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.844436 (E_RNA)
where:
Base-Base interactions energy: -151.661
where: short stacking energy: -83.279
Base-Backbone interact. energy: -0.053
local terms energy: -88.130643
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 1.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -236.144313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.144313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.757044 (E_RNA)
where:
Base-Base interactions energy: -154.112
where: short stacking energy: -82.576
Base-Backbone interact. energy: -0.064
local terms energy: -82.581011
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -23.101
Dist. restrs. and SS energy: 0.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -236.544634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.544634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.608335 (E_RNA)
where:
Base-Base interactions energy: -155.944
where: short stacking energy: -85.225
Base-Backbone interact. energy: -0.029
local terms energy: -80.635291
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -21.474
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: 3
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -188.714130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.714130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.714130 (E_RNA)
where:
Base-Base interactions energy: -109.909
where: short stacking energy: -65.648
Base-Backbone interact. energy: -0.131
local terms energy: -78.674590
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: -0.000 (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: 160
Temperature: 1.100000
Total energy: -220.476319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.476319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.238899 (E_RNA)
where:
Base-Base interactions energy: -146.594
where: short stacking energy: -76.660
Base-Backbone interact. energy: -0.218
local terms energy: -74.426888
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -23.058
Dist. restrs. and SS energy: 0.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -189.372274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.372274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.381133 (E_RNA)
where:
Base-Base interactions energy: -123.652
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.095
local terms energy: -67.634208
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 2.009 (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: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -179.601105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.601105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.731846 (E_RNA)
where:
Base-Base interactions energy: -108.856
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.001
local terms energy: -70.875005
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -13.145
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: 160
Temperature: 1.250000
Total energy: -172.767247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.767247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.828063 (E_RNA)
where:
Base-Base interactions energy: -105.628
where: short stacking energy: -65.826
Base-Backbone interact. energy: -0.032
local terms energy: -67.168241
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -15.208
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: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -159.637715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.637715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.637715 (E_RNA)
where:
Base-Base interactions energy: -99.311
where: short stacking energy: -45.395
Base-Backbone interact. energy: 0.038
local terms energy: -60.364634
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (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: -139.313857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.313857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.575576 (E_RNA)
where:
Base-Base interactions energy: -82.222
where: short stacking energy: -46.324
Base-Backbone interact. energy: -0.713
local terms energy: -56.639785
where:
bonds (distance) C4'-P energy: -9.363
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -5.543
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: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -237.809221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.809221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.489698 (E_RNA)
where:
Base-Base interactions energy: -151.404
where: short stacking energy: -81.542
Base-Backbone interact. energy: -0.031
local terms energy: -88.054288
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 1.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -237.398693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.398693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.415670 (E_RNA)
where:
Base-Base interactions energy: -154.323
where: short stacking energy: -83.902
Base-Backbone interact. energy: 0.089
local terms energy: -83.182228
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -22.400
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: 9
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -228.191433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.191433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.236562 (E_RNA)
where:
Base-Base interactions energy: -153.404
where: short stacking energy: -84.143
Base-Backbone interact. energy: -0.001
local terms energy: -74.831293
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -21.554
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: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -208.713395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.713395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.877815 (E_RNA)
where:
Base-Base interactions energy: -131.179
where: short stacking energy: -69.840
Base-Backbone interact. energy: -0.422
local terms energy: -77.277592
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -172.016026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.016026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.016139 (E_RNA)
where:
Base-Base interactions energy: -105.677
where: short stacking energy: -60.626
Base-Backbone interact. energy: 0.165
local terms energy: -66.504150
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (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: 161
Temperature: 1.150000
Total energy: -200.405250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.405250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.141226 (E_RNA)
where:
Base-Base interactions energy: -132.593
where: short stacking energy: -64.285
Base-Backbone interact. energy: -0.514
local terms energy: -68.033478
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -171.675199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.675199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.649214 (E_RNA)
where:
Base-Base interactions energy: -109.906
where: short stacking energy: -65.954
Base-Backbone interact. energy: -0.753
local terms energy: -61.990786
where:
bonds (distance) C4'-P energy: -15.563
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.974 (S_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: -161.472001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.472001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.568152 (E_RNA)
where:
Base-Base interactions energy: -96.539
where: short stacking energy: -47.766
Base-Backbone interact. energy: -0.810
local terms energy: -64.218844
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -11.446
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: 5
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -145.096510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.096510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.280466 (E_RNA)
where:
Base-Base interactions energy: -85.967
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.232
local terms energy: -59.081087
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -8.391
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: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -164.768059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.768059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.815191 (E_RNA)
where:
Base-Base interactions energy: -108.890
where: short stacking energy: -60.097
Base-Backbone interact. energy: 1.461
local terms energy: -57.386156
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -10.630
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: 162
Temperature: 0.900000
Total energy: -236.160153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.160153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.759529 (E_RNA)
where:
Base-Base interactions energy: -152.727
where: short stacking energy: -83.211
Base-Backbone interact. energy: 0.278
local terms energy: -84.311025
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.599 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -238.232557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.232557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.232557 (E_RNA)
where:
Base-Base interactions energy: -152.253
where: short stacking energy: -83.277
Base-Backbone interact. energy: -0.353
local terms energy: -85.626745
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -23.868
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: 3, replica: 9
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -225.146295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.146295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.257645 (E_RNA)
where:
Base-Base interactions energy: -149.641
where: short stacking energy: -82.365
Base-Backbone interact. energy: -0.000
local terms energy: -75.616445
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -186.838224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.838224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.838224 (E_RNA)
where:
Base-Base interactions energy: -116.317
where: short stacking energy: -71.510
Base-Backbone interact. energy: -0.078
local terms energy: -70.442753
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -18.674
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: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -181.411427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.535082 (E_RNA)
where:
Base-Base interactions energy: -116.529
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.048
local terms energy: -64.958585
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -171.058184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.058184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.137528 (E_RNA)
where:
Base-Base interactions energy: -105.520
where: short stacking energy: -47.611
Base-Backbone interact. energy: -0.160
local terms energy: -65.456935
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -7.310
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -11.816
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: 8
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -165.325263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.325263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.403330 (E_RNA)
where:
Base-Base interactions energy: -104.771
where: short stacking energy: -52.016
Base-Backbone interact. energy: 0.502
local terms energy: -61.134689
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -3.103
tors. eta vs tors. theta energy: -9.893
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: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -167.015036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.015036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.084912 (E_RNA)
where:
Base-Base interactions energy: -104.283
where: short stacking energy: -63.915
Base-Backbone interact. energy: -0.067
local terms energy: -62.735790
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -11.070
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: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -156.211478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.211478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.507808 (E_RNA)
where:
Base-Base interactions energy: -96.912
where: short stacking energy: -50.222
Base-Backbone interact. energy: -1.201
local terms energy: -58.395708
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -11.952
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: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -144.584504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.584504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.590121 (E_RNA)
where:
Base-Base interactions energy: -91.784
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.176
local terms energy: -52.630653
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -7.877
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -9.767
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: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -231.939816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.939816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.497720 (E_RNA)
where:
Base-Base interactions energy: -150.646
where: short stacking energy: -81.866
Base-Backbone interact. energy: -0.373
local terms energy: -82.479423
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -24.906
Dist. restrs. and SS energy: 1.558 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -231.296061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.296061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.872447 (E_RNA)
where:
Base-Base interactions energy: -150.833
where: short stacking energy: -76.405
Base-Backbone interact. energy: -0.154
local terms energy: -81.885975
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -22.806
Dist. restrs. and SS energy: 1.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -223.236864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.236864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.306229 (E_RNA)
where:
Base-Base interactions energy: -143.329
where: short stacking energy: -71.859
Base-Backbone interact. energy: -0.011
local terms energy: -79.966254
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -195.846418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.846418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.068411 (E_RNA)
where:
Base-Base interactions energy: -129.584
where: short stacking energy: -78.426
Base-Backbone interact. energy: 0.114
local terms energy: -66.598501
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -16.961
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -199.325825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.325825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.493218 (E_RNA)
where:
Base-Base interactions energy: -127.290
where: short stacking energy: -81.323
Base-Backbone interact. energy: -0.179
local terms energy: -72.024371
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -179.079158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.079158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.583064 (E_RNA)
where:
Base-Base interactions energy: -114.113
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.027
local terms energy: -65.443130
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -177.450532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.450532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.487531 (E_RNA)
where:
Base-Base interactions energy: -111.140
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.117
local terms energy: -66.230552
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -6.439
tors. eta vs tors. theta energy: -12.144
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: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -178.763603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.763603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.846275 (E_RNA)
where:
Base-Base interactions energy: -111.310
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.279
local terms energy: -67.257017
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -9.873
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: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -158.080560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.080560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.547090 (E_RNA)
where:
Base-Base interactions energy: -92.325
where: short stacking energy: -53.242
Base-Backbone interact. energy: -0.019
local terms energy: -66.203630
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -14.218
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: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -148.188397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.188397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.259173 (E_RNA)
where:
Base-Base interactions energy: -88.849
where: short stacking energy: -47.506
Base-Backbone interact. energy: -0.073
local terms energy: -59.337593
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -10.674
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: 164
Temperature: 0.900000
Total energy: -236.787250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.787250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.483973 (E_RNA)
where:
Base-Base interactions energy: -156.674
where: short stacking energy: -83.080
Base-Backbone interact. energy: -0.049
local terms energy: -81.760762
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -20.356
Dist. restrs. and SS energy: 1.697 (S_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: 164
Temperature: 0.950000
Total energy: -219.861485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.861485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.590856 (E_RNA)
where:
Base-Base interactions energy: -142.533
where: short stacking energy: -70.832
Base-Backbone interact. energy: -0.691
local terms energy: -78.366989
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 1.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -234.481672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.481672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.588449 (E_RNA)
where:
Base-Base interactions energy: -151.559
where: short stacking energy: -87.075
Base-Backbone interact. energy: -0.592
local terms energy: -82.437349
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -180.965536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.965536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.086614 (E_RNA)
where:
Base-Base interactions energy: -111.071
where: short stacking energy: -68.755
Base-Backbone interact. energy: -0.323
local terms energy: -69.693489
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -12.968
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: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -215.150742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.150742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.395030 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -69.041
Base-Backbone interact. energy: -0.011
local terms energy: -85.917769
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 1.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -170.052054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.052054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.128427 (E_RNA)
where:
Base-Base interactions energy: -105.257
where: short stacking energy: -54.299
Base-Backbone interact. energy: -0.065
local terms energy: -64.807037
where:
bonds (distance) C4'-P energy: -6.725
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -174.857010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.857010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.697969 (E_RNA)
where:
Base-Base interactions energy: -112.540
where: short stacking energy: -60.872
Base-Backbone interact. energy: -0.041
local terms energy: -64.116580
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 1.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -173.017659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.017659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.310899 (E_RNA)
where:
Base-Base interactions energy: -101.544
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.005
local terms energy: -71.762227
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -16.150
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: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -164.183072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.183072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.233674 (E_RNA)
where:
Base-Base interactions energy: -100.562
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.454
local terms energy: -63.217280
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -11.132
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: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -154.478833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.478833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.844733 (E_RNA)
where:
Base-Base interactions energy: -96.386
where: short stacking energy: -53.058
Base-Backbone interact. energy: 0.260
local terms energy: -58.718982
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -7.998
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: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -236.117658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.117658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.857276 (E_RNA)
where:
Base-Base interactions energy: -150.302
where: short stacking energy: -80.345
Base-Backbone interact. energy: -0.000
local terms energy: -86.555009
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -23.111
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -232.867967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.867967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.939518 (E_RNA)
where:
Base-Base interactions energy: -152.492
where: short stacking energy: -81.831
Base-Backbone interact. energy: -0.020
local terms energy: -80.427513
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -21.194
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: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -214.501792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.501792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.658599 (E_RNA)
where:
Base-Base interactions energy: -130.227
where: short stacking energy: -76.473
Base-Backbone interact. energy: -0.023
local terms energy: -84.409073
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -22.993
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: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -210.265225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.265225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.330546 (E_RNA)
where:
Base-Base interactions energy: -129.209
where: short stacking energy: -73.820
Base-Backbone interact. energy: -0.762
local terms energy: -80.359636
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -18.478
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: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -170.721092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.721092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.166171 (E_RNA)
where:
Base-Base interactions energy: -99.527
where: short stacking energy: -56.138
Base-Backbone interact. energy: -0.484
local terms energy: -71.155364
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -174.720632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.720632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.804584 (E_RNA)
where:
Base-Base interactions energy: -106.292
where: short stacking energy: -65.117
Base-Backbone interact. energy: -0.148
local terms energy: -68.364958
where:
bonds (distance) C4'-P energy: -17.518
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -15.970
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: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -171.049637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.049637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.124765 (E_RNA)
where:
Base-Base interactions energy: -111.935
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.001
local terms energy: -59.188889
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -14.846
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: 165
Temperature: 1.250000
Total energy: -161.651447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.651447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.345183 (E_RNA)
where:
Base-Base interactions energy: -105.972
where: short stacking energy: -53.374
Base-Backbone interact. energy: -0.603
local terms energy: -55.770231
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: 0.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -157.339573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.339573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.495890 (E_RNA)
where:
Base-Base interactions energy: -95.192
where: short stacking energy: -56.319
Base-Backbone interact. energy: -0.926
local terms energy: -61.378450
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -12.295
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: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -148.729707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.729707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.650905 (E_RNA)
where:
Base-Base interactions energy: -91.944
where: short stacking energy: -50.259
Base-Backbone interact. energy: 0.400
local terms energy: -58.107145
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -13.170
Dist. restrs. and SS energy: 0.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -229.318134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.318134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.154645 (E_RNA)
where:
Base-Base interactions energy: -147.626
where: short stacking energy: -86.019
Base-Backbone interact. energy: -0.055
local terms energy: -82.474220
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -23.377
Dist. restrs. and SS energy: 0.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -235.210635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.210635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.316323 (E_RNA)
where:
Base-Base interactions energy: -160.349
where: short stacking energy: -81.681
Base-Backbone interact. energy: -0.023
local terms energy: -75.944688
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -20.847
Dist. restrs. and SS energy: 1.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -218.693994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.693994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.693994 (E_RNA)
where:
Base-Base interactions energy: -141.459
where: short stacking energy: -80.212
Base-Backbone interact. energy: 0.149
local terms energy: -77.384214
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -13.373
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (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: 166
Temperature: 1.050000
Total energy: -224.145060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.145060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.166122 (E_RNA)
where:
Base-Base interactions energy: -145.395
where: short stacking energy: -77.069
Base-Backbone interact. energy: -0.053
local terms energy: -78.717821
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -22.303
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: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -188.007165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.007165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.040125 (E_RNA)
where:
Base-Base interactions energy: -123.959
where: short stacking energy: -72.047
Base-Backbone interact. energy: -0.135
local terms energy: -63.946132
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -12.333
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -17.365
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: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -168.335343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.335343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.704244 (E_RNA)
where:
Base-Base interactions energy: -103.078
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.096
local terms energy: -65.530299
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -167.015733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.015733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.056387 (E_RNA)
where:
Base-Base interactions energy: -106.661
where: short stacking energy: -71.118
Base-Backbone interact. energy: -0.002
local terms energy: -60.393927
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -12.116
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: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -143.056751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.056751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.365237 (E_RNA)
where:
Base-Base interactions energy: -92.624
where: short stacking energy: -52.828
Base-Backbone interact. energy: -0.192
local terms energy: -50.549141
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -9.848
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: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -158.582073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.582073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.868315 (E_RNA)
where:
Base-Base interactions energy: -99.482
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.032
local terms energy: -59.354439
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -155.328814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.328814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.481965 (E_RNA)
where:
Base-Base interactions energy: -90.283
where: short stacking energy: -50.924
Base-Backbone interact. energy: -0.073
local terms energy: -65.125697
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -8.510
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -234.885223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.885223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.893768 (E_RNA)
where:
Base-Base interactions energy: -152.487
where: short stacking energy: -82.216
Base-Backbone interact. energy: -0.419
local terms energy: -81.988123
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -22.465
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: 167
Temperature: 0.950000
Total energy: -231.872092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.872092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.353585 (E_RNA)
where:
Base-Base interactions energy: -148.835
where: short stacking energy: -84.017
Base-Backbone interact. energy: -0.160
local terms energy: -84.359031
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -18.891
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -20.764
Dist. restrs. and SS energy: 1.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -221.248608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.248608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.461431 (E_RNA)
where:
Base-Base interactions energy: -145.578
where: short stacking energy: -66.641
Base-Backbone interact. energy: -0.003
local terms energy: -75.881060
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.792
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -216.891419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.891419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.321890 (E_RNA)
where:
Base-Base interactions energy: -140.243
where: short stacking energy: -74.572
Base-Backbone interact. energy: -0.031
local terms energy: -77.048399
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -20.145
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: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -178.467275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.467275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.458928 (E_RNA)
where:
Base-Base interactions energy: -112.122
where: short stacking energy: -69.538
Base-Backbone interact. energy: -0.009
local terms energy: -67.328299
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -176.691327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.691327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.781735 (E_RNA)
where:
Base-Base interactions energy: -106.834
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.455
local terms energy: -69.492410
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -14.698
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: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -169.896672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.896672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.077980 (E_RNA)
where:
Base-Base interactions energy: -104.258
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.128
local terms energy: -66.692319
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -18.021
Dist. restrs. and SS energy: 1.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -153.268438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.268438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.465203 (E_RNA)
where:
Base-Base interactions energy: -92.658
where: short stacking energy: -50.745
Base-Backbone interact. energy: -0.150
local terms energy: -60.657188
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -9.482
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -152.126237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.126237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.301717 (E_RNA)
where:
Base-Base interactions energy: -97.832
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.014
local terms energy: -54.455131
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -11.934
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: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -159.748480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.748480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.771778 (E_RNA)
where:
Base-Base interactions energy: -101.526
where: short stacking energy: -45.237
Base-Backbone interact. energy: 1.973
local terms energy: -60.218804
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -7.905
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: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -241.207128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.207128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.298528 (E_RNA)
where:
Base-Base interactions energy: -157.924
where: short stacking energy: -89.205
Base-Backbone interact. energy: -0.580
local terms energy: -84.794494
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 2.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -232.054145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.054145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.182413 (E_RNA)
where:
Base-Base interactions energy: -147.454
where: short stacking energy: -72.734
Base-Backbone interact. energy: -1.861
local terms energy: -82.866939
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -22.987
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: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -214.663962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.663962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.738295 (E_RNA)
where:
Base-Base interactions energy: -140.906
where: short stacking energy: -78.319
Base-Backbone interact. energy: 0.767
local terms energy: -74.599578
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -19.974
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: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -235.740579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.740579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.788221 (E_RNA)
where:
Base-Base interactions energy: -147.318
where: short stacking energy: -83.304
Base-Backbone interact. energy: -0.286
local terms energy: -88.184692
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -15.693
tors. eta vs tors. theta energy: -22.060
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: 168
Temperature: 1.100000
Total energy: -192.128443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.128443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.310309 (E_RNA)
where:
Base-Base interactions energy: -117.667
where: short stacking energy: -67.747
Base-Backbone interact. energy: -0.000
local terms energy: -74.643046
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -18.771
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: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -176.881082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.881082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.444291 (E_RNA)
where:
Base-Base interactions energy: -114.400
where: short stacking energy: -64.851
Base-Backbone interact. energy: -0.095
local terms energy: -62.949481
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -176.397256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.397256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.571445 (E_RNA)
where:
Base-Base interactions energy: -113.413
where: short stacking energy: -60.556
Base-Backbone interact. energy: 1.284
local terms energy: -64.442404
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -18.230
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: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -160.249476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.249476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.309297 (E_RNA)
where:
Base-Base interactions energy: -97.431
where: short stacking energy: -51.178
Base-Backbone interact. energy: -0.565
local terms energy: -62.314136
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -10.813
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: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -155.059062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.059062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.528149 (E_RNA)
where:
Base-Base interactions energy: -96.086
where: short stacking energy: -55.233
Base-Backbone interact. energy: -0.209
local terms energy: -59.233072
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -10.205
Dist. restrs. and SS energy: 0.469 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -149.880095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.880095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.050067 (E_RNA)
where:
Base-Base interactions energy: -96.229
where: short stacking energy: -52.363
Base-Backbone interact. energy: -0.005
local terms energy: -56.816201
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -8.617
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 3.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -230.084000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.084000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.411701 (E_RNA)
where:
Base-Base interactions energy: -141.753
where: short stacking energy: -71.464
Base-Backbone interact. energy: 0.322
local terms energy: -88.981161
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -232.067923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.067923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.566812 (E_RNA)
where:
Base-Base interactions energy: -148.952
where: short stacking energy: -78.609
Base-Backbone interact. energy: -0.293
local terms energy: -84.322150
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -25.309
Dist. restrs. and SS energy: 1.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -208.856822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.856822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.856822 (E_RNA)
where:
Base-Base interactions energy: -132.279
where: short stacking energy: -73.381
Base-Backbone interact. energy: 1.143
local terms energy: -77.720362
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (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: 169
Temperature: 1.050000
Total energy: -229.367872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.367872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.415609 (E_RNA)
where:
Base-Base interactions energy: -151.469
where: short stacking energy: -83.291
Base-Backbone interact. energy: -0.001
local terms energy: -77.945824
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -19.945
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: 169
Temperature: 1.100000
Total energy: -202.448964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.448964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.552975 (E_RNA)
where:
Base-Base interactions energy: -126.136
where: short stacking energy: -70.865
Base-Backbone interact. energy: -0.124
local terms energy: -76.292573
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -15.401
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: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -173.358190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.358190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.450637 (E_RNA)
where:
Base-Base interactions energy: -106.190
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.009
local terms energy: -67.251037
where:
bonds (distance) C4'-P energy: -9.041
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -13.497
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: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -181.171713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.171713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.203957 (E_RNA)
where:
Base-Base interactions energy: -112.264
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.177
local terms energy: -68.763450
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -14.653
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: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -160.872562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.872562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.988355 (E_RNA)
where:
Base-Base interactions energy: -98.200
where: short stacking energy: -49.910
Base-Backbone interact. energy: -0.468
local terms energy: -62.319986
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -12.771
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: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -156.583240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.583240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.741909 (E_RNA)
where:
Base-Base interactions energy: -100.067
where: short stacking energy: -59.687
Base-Backbone interact. energy: -0.363
local terms energy: -56.311969
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -8.167
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: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -141.562722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.562722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.584141 (E_RNA)
where:
Base-Base interactions energy: -88.104
where: short stacking energy: -47.291
Base-Backbone interact. energy: -0.433
local terms energy: -53.046702
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -6.674
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -10.057
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: 170
Temperature: 0.900000
Total energy: -238.329141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.329141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.712038 (E_RNA)
where:
Base-Base interactions energy: -155.699
where: short stacking energy: -86.406
Base-Backbone interact. energy: -0.006
local terms energy: -84.006555
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -22.185
Dist. restrs. and SS energy: 1.383 (S_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: 170
Temperature: 0.950000
Total energy: -220.219445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.219445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.949406 (E_RNA)
where:
Base-Base interactions energy: -142.085
where: short stacking energy: -82.716
Base-Backbone interact. energy: -0.495
local terms energy: -78.369983
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -201.162669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.162669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.170978 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -78.310
Base-Backbone interact. energy: 0.339
local terms energy: -71.867238
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -20.471
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: 170
Temperature: 1.050000
Total energy: -197.613169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.613169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.752390 (E_RNA)
where:
Base-Base interactions energy: -122.144
where: short stacking energy: -73.235
Base-Backbone interact. energy: -0.008
local terms energy: -75.600943
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -19.848
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: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -178.586725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.586725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.627029 (E_RNA)
where:
Base-Base interactions energy: -113.655
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.687
local terms energy: -64.284758
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -11.924
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: 170
Temperature: 1.150000
Total energy: -177.427171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.427171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.477900 (E_RNA)
where:
Base-Base interactions energy: -109.264
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.195
local terms energy: -68.018534
where:
bonds (distance) C4'-P energy: -7.693
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -14.895
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: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -170.018283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.018283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.583948 (E_RNA)
where:
Base-Base interactions energy: -96.140
where: short stacking energy: -64.660
Base-Backbone interact. energy: -0.002
local terms energy: -74.441039
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -172.103267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.103267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.122136 (E_RNA)
where:
Base-Base interactions energy: -111.996
where: short stacking energy: -69.433
Base-Backbone interact. energy: -0.423
local terms energy: -59.703296
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -15.241
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: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -164.147760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.147760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.074738 (E_RNA)
where:
Base-Base interactions energy: -100.868
where: short stacking energy: -53.064
Base-Backbone interact. energy: -0.734
local terms energy: -63.473034
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -14.151
Dist. restrs. and SS energy: 0.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -145.027440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.027440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.111164 (E_RNA)
where:
Base-Base interactions energy: -85.318
where: short stacking energy: -46.483
Base-Backbone interact. energy: -0.009
local terms energy: -59.784258
where:
bonds (distance) C4'-P energy: -4.860
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -13.897
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: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -246.526501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.526501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.615312 (E_RNA)
where:
Base-Base interactions energy: -160.749
where: short stacking energy: -91.127
Base-Backbone interact. energy: -0.030
local terms energy: -85.836862
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -23.984
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -238.985994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.985994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.992885 (E_RNA)
where:
Base-Base interactions energy: -156.162
where: short stacking energy: -87.402
Base-Backbone interact. energy: -0.000
local terms energy: -82.830201
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -22.007
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: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -219.570600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.570600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.021195 (E_RNA)
where:
Base-Base interactions energy: -138.093
where: short stacking energy: -78.382
Base-Backbone interact. energy: -0.059
local terms energy: -82.868567
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 1.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -220.634600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.634600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.036910 (E_RNA)
where:
Base-Base interactions energy: -138.553
where: short stacking energy: -80.863
Base-Backbone interact. energy: -0.004
local terms energy: -82.479081
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -23.600
Dist. restrs. and SS energy: 0.402 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -175.472214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.472214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.837866 (E_RNA)
where:
Base-Base interactions energy: -117.723
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.030
local terms energy: -58.085539
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -170.890939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.890939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.027439 (E_RNA)
where:
Base-Base interactions energy: -106.423
where: short stacking energy: -60.191
Base-Backbone interact. energy: -0.137
local terms energy: -64.467482
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -14.077
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: 171
Temperature: 1.200000
Total energy: -163.251578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.251578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.269755 (E_RNA)
where:
Base-Base interactions energy: -109.608
where: short stacking energy: -57.831
Base-Backbone interact. energy: -0.167
local terms energy: -53.495049
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -5.912
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: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -153.622074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.622074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.644107 (E_RNA)
where:
Base-Base interactions energy: -95.699
where: short stacking energy: -46.276
Base-Backbone interact. energy: -0.845
local terms energy: -57.100290
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -8.907
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: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -165.331652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.332829 (E_RNA)
where:
Base-Base interactions energy: -99.125
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.113
local terms energy: -66.094056
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -15.141
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: 171
Temperature: 1.350000
Total energy: -149.252359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.252359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.252359 (E_RNA)
where:
Base-Base interactions energy: -98.914
where: short stacking energy: -52.585
Base-Backbone interact. energy: -0.190
local terms energy: -50.148319
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (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: 172
Temperature: 0.900000
Total energy: -235.123948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.123948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.615667 (E_RNA)
where:
Base-Base interactions energy: -154.358
where: short stacking energy: -81.885
Base-Backbone interact. energy: -0.201
local terms energy: -81.056267
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -228.880364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.880364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.327893 (E_RNA)
where:
Base-Base interactions energy: -142.575
where: short stacking energy: -78.828
Base-Backbone interact. energy: -0.007
local terms energy: -86.746602
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -23.209
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -224.968827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.968827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.680554 (E_RNA)
where:
Base-Base interactions energy: -146.968
where: short stacking energy: -72.792
Base-Backbone interact. energy: -0.021
local terms energy: -78.691536
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.712 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -217.431024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.431024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.072592 (E_RNA)
where:
Base-Base interactions energy: -145.268
where: short stacking energy: -75.233
Base-Backbone interact. energy: -0.655
local terms energy: -73.149559
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -18.122
Dist. restrs. and SS energy: 1.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -185.609351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.609351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.200305 (E_RNA)
where:
Base-Base interactions energy: -111.054
where: short stacking energy: -54.067
Base-Backbone interact. energy: -0.721
local terms energy: -74.425212
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -14.586
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -172.213439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.213439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.282411 (E_RNA)
where:
Base-Base interactions energy: -103.302
where: short stacking energy: -64.040
Base-Backbone interact. energy: -0.674
local terms energy: -68.306882
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -13.455
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: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -176.968175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.968175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.972062 (E_RNA)
where:
Base-Base interactions energy: -102.489
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.010
local terms energy: -74.472925
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -16.209
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: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -159.301222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.301222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.414483 (E_RNA)
where:
Base-Base interactions energy: -103.894
where: short stacking energy: -55.639
Base-Backbone interact. energy: -0.270
local terms energy: -55.250468
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -9.442
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: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -147.407566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.407566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.420877 (E_RNA)
where:
Base-Base interactions energy: -85.362
where: short stacking energy: -37.179
Base-Backbone interact. energy: 1.472
local terms energy: -63.530844
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -6.123
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: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -160.075375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.075375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.182340 (E_RNA)
where:
Base-Base interactions energy: -107.709
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.071
local terms energy: -53.402113
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -11.106
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -233.856420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.856420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.639361 (E_RNA)
where:
Base-Base interactions energy: -154.773
where: short stacking energy: -80.611
Base-Backbone interact. energy: -0.004
local terms energy: -79.863039
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -233.630669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.630669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.172158 (E_RNA)
where:
Base-Base interactions energy: -156.298
where: short stacking energy: -76.305
Base-Backbone interact. energy: -0.002
local terms energy: -77.871709
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -21.139
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -206.156353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.156353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.244035 (E_RNA)
where:
Base-Base interactions energy: -131.664
where: short stacking energy: -66.353
Base-Backbone interact. energy: -1.512
local terms energy: -74.068857
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 1.088 (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: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -208.374192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.374192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.613873 (E_RNA)
where:
Base-Base interactions energy: -130.926
where: short stacking energy: -74.261
Base-Backbone interact. energy: 0.068
local terms energy: -77.756561
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -19.963
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: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -168.888961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.888961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.901801 (E_RNA)
where:
Base-Base interactions energy: -97.150
where: short stacking energy: -48.729
Base-Backbone interact. energy: -0.188
local terms energy: -71.563631
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -173.560952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.560952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.686389 (E_RNA)
where:
Base-Base interactions energy: -106.272
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.142
local terms energy: -67.272493
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -12.414
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -151.128999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.128999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.145305 (E_RNA)
where:
Base-Base interactions energy: -96.766
where: short stacking energy: -61.813
Base-Backbone interact. energy: -0.163
local terms energy: -54.216697
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -16.481
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -11.320
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: 173
Temperature: 1.250000
Total energy: -154.883215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.883215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.908962 (E_RNA)
where:
Base-Base interactions energy: -94.243
where: short stacking energy: -43.151
Base-Backbone interact. energy: -1.109
local terms energy: -59.556277
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -18.394
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -12.566
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: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -159.524089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.524089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.528507 (E_RNA)
where:
Base-Base interactions energy: -94.327
where: short stacking energy: -54.311
Base-Backbone interact. energy: -0.152
local terms energy: -65.049070
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -2.897
tors. eta vs tors. theta energy: -14.922
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: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -161.155956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.155956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.177506 (E_RNA)
where:
Base-Base interactions energy: -92.473
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.343
local terms energy: -68.362149
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -11.599
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: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -234.237915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.237915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.826123 (E_RNA)
where:
Base-Base interactions energy: -151.826
where: short stacking energy: -74.201
Base-Backbone interact. energy: -0.001
local terms energy: -82.999292
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.588 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -228.311241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.311241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.776319 (E_RNA)
where:
Base-Base interactions energy: -151.295
where: short stacking energy: -78.459
Base-Backbone interact. energy: -0.021
local terms energy: -77.460647
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -21.243
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: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -177.873497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.873497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.402619 (E_RNA)
where:
Base-Base interactions energy: -115.250
where: short stacking energy: -61.887
Base-Backbone interact. energy: 1.980
local terms energy: -65.132325
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -9.761
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -188.166320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.166320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.335062 (E_RNA)
where:
Base-Base interactions energy: -113.797
where: short stacking energy: -74.925
Base-Backbone interact. energy: -0.699
local terms energy: -73.839534
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -17.817
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: 5, replica: 10
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -186.572066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.572066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.649874 (E_RNA)
where:
Base-Base interactions energy: -119.235
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.408
local terms energy: -67.006374
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -15.146
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: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -168.355962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.355962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.549768 (E_RNA)
where:
Base-Base interactions energy: -111.015
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.006
local terms energy: -57.528898
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -161.717213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.717213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.740282 (E_RNA)
where:
Base-Base interactions energy: -98.669
where: short stacking energy: -52.147
Base-Backbone interact. energy: -0.096
local terms energy: -62.974739
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -154.134795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.134795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.218694 (E_RNA)
where:
Base-Base interactions energy: -95.727
where: short stacking energy: -54.971
Base-Backbone interact. energy: -0.095
local terms energy: -58.396180
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -5.397
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: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -152.436560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.436560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.443171 (E_RNA)
where:
Base-Base interactions energy: -88.569
where: short stacking energy: -41.233
Base-Backbone interact. energy: 1.062
local terms energy: -64.937047
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -12.802
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: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -155.439013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.439013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.958173 (E_RNA)
where:
Base-Base interactions energy: -93.631
where: short stacking energy: -50.947
Base-Backbone interact. energy: -0.091
local terms energy: -62.235553
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -10.971
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -233.823712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.823712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.632484 (E_RNA)
where:
Base-Base interactions energy: -160.312
where: short stacking energy: -79.320
Base-Backbone interact. energy: -0.021
local terms energy: -74.300081
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -204.330948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.330948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.456230 (E_RNA)
where:
Base-Base interactions energy: -122.153
where: short stacking energy: -68.525
Base-Backbone interact. energy: -0.165
local terms energy: -82.137730
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -18.192
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: 175
Temperature: 1.000000
Total energy: -190.372006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.372006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.393955 (E_RNA)
where:
Base-Base interactions energy: -119.030
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.404
local terms energy: -70.959809
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -187.958659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.958659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.122000 (E_RNA)
where:
Base-Base interactions energy: -118.136
where: short stacking energy: -73.806
Base-Backbone interact. energy: -0.203
local terms energy: -69.782428
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -187.340747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.340747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.564500 (E_RNA)
where:
Base-Base interactions energy: -119.805
where: short stacking energy: -78.661
Base-Backbone interact. energy: -0.103
local terms energy: -67.655613
where:
bonds (distance) C4'-P energy: -12.196
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -203.666891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.666891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.703931 (E_RNA)
where:
Base-Base interactions energy: -132.508
where: short stacking energy: -73.508
Base-Backbone interact. energy: -0.008
local terms energy: -71.187313
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -17.345
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: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -170.346074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.346074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.544963 (E_RNA)
where:
Base-Base interactions energy: -103.276
where: short stacking energy: -51.695
Base-Backbone interact. energy: -0.130
local terms energy: -67.138855
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -163.985024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.985024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.083613 (E_RNA)
where:
Base-Base interactions energy: -104.310
where: short stacking energy: -60.887
Base-Backbone interact. energy: -0.114
local terms energy: -59.659525
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -11.145
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: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -154.452848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.452848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.456045 (E_RNA)
where:
Base-Base interactions energy: -93.736
where: short stacking energy: -53.562
Base-Backbone interact. energy: -0.165
local terms energy: -60.555093
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -10.989
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: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -157.005137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.005137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.565311 (E_RNA)
where:
Base-Base interactions energy: -103.272
where: short stacking energy: -59.639
Base-Backbone interact. energy: 0.248
local terms energy: -54.541497
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -244.427242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.427242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.466523 (E_RNA)
where:
Base-Base interactions energy: -155.814
where: short stacking energy: -78.103
Base-Backbone interact. energy: -0.001
local terms energy: -88.651375
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -22.711
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: 176
Temperature: 0.950000
Total energy: -219.133559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.133559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.837289 (E_RNA)
where:
Base-Base interactions energy: -143.691
where: short stacking energy: -74.750
Base-Backbone interact. energy: -0.006
local terms energy: -76.139710
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.704 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -187.244049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.244049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.244049 (E_RNA)
where:
Base-Base interactions energy: -117.734
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.360
local terms energy: -69.150553
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: -0.000 (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: 176
Temperature: 1.050000
Total energy: -194.318571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.318571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.329581 (E_RNA)
where:
Base-Base interactions energy: -118.639
where: short stacking energy: -75.782
Base-Backbone interact. energy: -0.023
local terms energy: -75.667798
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -18.205
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: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -182.565975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.565975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.946326 (E_RNA)
where:
Base-Base interactions energy: -112.855
where: short stacking energy: -69.288
Base-Backbone interact. energy: -0.007
local terms energy: -71.083830
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 1.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -180.261992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.261992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.365169 (E_RNA)
where:
Base-Base interactions energy: -113.172
where: short stacking energy: -68.843
Base-Backbone interact. energy: -0.023
local terms energy: -67.170433
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: -16.453
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: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -176.953093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.953093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.267954 (E_RNA)
where:
Base-Base interactions energy: -109.761
where: short stacking energy: -70.868
Base-Backbone interact. energy: -0.058
local terms energy: -67.449310
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -16.219
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: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -174.632165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.632165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.727164 (E_RNA)
where:
Base-Base interactions energy: -113.869
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.048
local terms energy: -60.810202
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -8.324
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -12.660
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: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -152.536606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.536606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.537127 (E_RNA)
where:
Base-Base interactions energy: -94.287
where: short stacking energy: -42.683
Base-Backbone interact. energy: -0.398
local terms energy: -57.851356
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -4.468
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: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -160.106099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.106099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.487192 (E_RNA)
where:
Base-Base interactions energy: -106.410
where: short stacking energy: -58.119
Base-Backbone interact. energy: -0.121
local terms energy: -54.956299
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -9.189
Dist. restrs. and SS energy: 1.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -240.175462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.175462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.192882 (E_RNA)
where:
Base-Base interactions energy: -156.268
where: short stacking energy: -84.655
Base-Backbone interact. energy: -0.007
local terms energy: -83.917876
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -22.703
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: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -197.832810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.832810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.869136 (E_RNA)
where:
Base-Base interactions energy: -123.853
where: short stacking energy: -75.676
Base-Backbone interact. energy: -0.104
local terms energy: -73.911724
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -18.675
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: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -208.629350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.629350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.917256 (E_RNA)
where:
Base-Base interactions energy: -135.431
where: short stacking energy: -71.474
Base-Backbone interact. energy: -0.006
local terms energy: -74.480255
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 1.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -233.488288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.488288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.532198 (E_RNA)
where:
Base-Base interactions energy: -154.945
where: short stacking energy: -82.166
Base-Backbone interact. energy: -0.016
local terms energy: -78.571019
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -20.715
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: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -176.272534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.272534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.075089 (E_RNA)
where:
Base-Base interactions energy: -104.439
where: short stacking energy: -62.621
Base-Backbone interact. energy: -0.068
local terms energy: -72.568589
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -178.010309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.010309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.133112 (E_RNA)
where:
Base-Base interactions energy: -109.037
where: short stacking energy: -68.548
Base-Backbone interact. energy: -0.012
local terms energy: -69.084471
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -174.454118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.454118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.929315 (E_RNA)
where:
Base-Base interactions energy: -106.212
where: short stacking energy: -63.536
Base-Backbone interact. energy: -0.569
local terms energy: -68.148100
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -11.369
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -153.972849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.972849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.183939 (E_RNA)
where:
Base-Base interactions energy: -97.974
where: short stacking energy: -55.879
Base-Backbone interact. energy: 0.272
local terms energy: -56.481705
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -8.888
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: 177
Temperature: 1.300000
Total energy: -170.709948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.709948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.921810 (E_RNA)
where:
Base-Base interactions energy: -105.805
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.204
local terms energy: -64.913065
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -14.699
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -159.705582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.705582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.204640 (E_RNA)
where:
Base-Base interactions energy: -102.017
where: short stacking energy: -58.387
Base-Backbone interact. energy: 1.594
local terms energy: -59.781647
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -237.682556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.682556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.999727 (E_RNA)
where:
Base-Base interactions energy: -150.477
where: short stacking energy: -83.555
Base-Backbone interact. energy: -0.001
local terms energy: -87.521861
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -22.573
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -201.952526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.952526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.997395 (E_RNA)
where:
Base-Base interactions energy: -128.539
where: short stacking energy: -73.166
Base-Backbone interact. energy: -0.841
local terms energy: -72.617525
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -17.389
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: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -232.887950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.887950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.101548 (E_RNA)
where:
Base-Base interactions energy: -156.691
where: short stacking energy: -89.439
Base-Backbone interact. energy: -0.122
local terms energy: -76.288117
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -206.032665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.032665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.085268 (E_RNA)
where:
Base-Base interactions energy: -132.492
where: short stacking energy: -75.722
Base-Backbone interact. energy: -0.170
local terms energy: -73.423658
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -21.093
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: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -178.654648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.654648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.654648 (E_RNA)
where:
Base-Base interactions energy: -102.492
where: short stacking energy: -60.050
Base-Backbone interact. energy: -0.319
local terms energy: -75.843975
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (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: 178
Temperature: 1.150000
Total energy: -179.758800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.758800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.775987 (E_RNA)
where:
Base-Base interactions energy: -111.932
where: short stacking energy: -59.210
Base-Backbone interact. energy: -0.090
local terms energy: -67.753695
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -8.183
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: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -160.593073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.593073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.593073 (E_RNA)
where:
Base-Base interactions energy: -94.834
where: short stacking energy: -49.208
Base-Backbone interact. energy: -1.039
local terms energy: -64.719380
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -7.321
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: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -166.763110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.763110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.063238 (E_RNA)
where:
Base-Base interactions energy: -103.150
where: short stacking energy: -57.250
Base-Backbone interact. energy: 0.025
local terms energy: -63.937584
where:
bonds (distance) C4'-P energy: -5.725
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -14.583
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: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -164.859242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.859242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.428616 (E_RNA)
where:
Base-Base interactions energy: -104.160
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.299
local terms energy: -60.969521
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -8.660
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -167.356526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.356526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.593681 (E_RNA)
where:
Base-Base interactions energy: -98.344
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.035
local terms energy: -70.215190
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 1.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -234.748503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.748503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.340113 (E_RNA)
where:
Base-Base interactions energy: -145.653
where: short stacking energy: -70.064
Base-Backbone interact. energy: -0.046
local terms energy: -89.640787
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -239.011153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.011153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.143716 (E_RNA)
where:
Base-Base interactions energy: -154.508
where: short stacking energy: -85.523
Base-Backbone interact. energy: -0.455
local terms energy: -84.180504
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -25.650
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -185.406070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.406070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.460601 (E_RNA)
where:
Base-Base interactions energy: -110.118
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.093
local terms energy: -75.250439
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -13.745
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: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -204.106577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.106577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.388372 (E_RNA)
where:
Base-Base interactions energy: -125.386
where: short stacking energy: -68.487
Base-Backbone interact. energy: -1.409
local terms energy: -77.593986
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -9.753
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -181.357484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.357484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.542463 (E_RNA)
where:
Base-Base interactions energy: -107.271
where: short stacking energy: -66.113
Base-Backbone interact. energy: -0.541
local terms energy: -73.730096
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -183.617209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.617209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.663544 (E_RNA)
where:
Base-Base interactions energy: -108.181
where: short stacking energy: -59.174
Base-Backbone interact. energy: -0.133
local terms energy: -75.349519
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -12.236
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: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -161.478780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.478780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.562647 (E_RNA)
where:
Base-Base interactions energy: -95.612
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.404
local terms energy: -66.546512
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -12.361
Dist. restrs. and SS energy: 1.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -158.201423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.201423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.201423 (E_RNA)
where:
Base-Base interactions energy: -95.730
where: short stacking energy: -55.612
Base-Backbone interact. energy: -0.157
local terms energy: -62.315164
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -8.062
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -9.736
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: 9, replica: 7
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -143.626560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.626560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.730488 (E_RNA)
where:
Base-Base interactions energy: -87.007
where: short stacking energy: -40.851
Base-Backbone interact. energy: -0.978
local terms energy: -55.745344
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -10.788
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -7.763
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: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -152.097316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.097316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.125756 (E_RNA)
where:
Base-Base interactions energy: -90.215
where: short stacking energy: -40.067
Base-Backbone interact. energy: -0.227
local terms energy: -61.684423
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -13.798
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: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -237.384504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.384504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.130873 (E_RNA)
where:
Base-Base interactions energy: -158.267
where: short stacking energy: -79.828
Base-Backbone interact. energy: -0.050
local terms energy: -79.813719
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -224.391024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.391024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.315032 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -76.985
Base-Backbone interact. energy: 0.844
local terms energy: -77.763326
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 1.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -214.045403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.045403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.506317 (E_RNA)
where:
Base-Base interactions energy: -136.638
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.256
local terms energy: -77.611720
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -186.433321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.433321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.501114 (E_RNA)
where:
Base-Base interactions energy: -116.714
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.081
local terms energy: -69.705915
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -8.835
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: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -189.192518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.192518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.273584 (E_RNA)
where:
Base-Base interactions energy: -116.237
where: short stacking energy: -69.208
Base-Backbone interact. energy: -0.008
local terms energy: -73.028848
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -17.683
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: 1
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -182.510803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.510803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.617631 (E_RNA)
where:
Base-Base interactions energy: -120.410
where: short stacking energy: -75.854
Base-Backbone interact. energy: 0.593
local terms energy: -62.800138
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -11.193
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -16.122
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: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -180.515389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.515389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.795206 (E_RNA)
where:
Base-Base interactions energy: -113.677
where: short stacking energy: -76.102
Base-Backbone interact. energy: -0.979
local terms energy: -66.138543
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -161.809164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.809164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.949383 (E_RNA)
where:
Base-Base interactions energy: -102.205
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.016
local terms energy: -59.728187
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -6.266
tors. eta vs tors. theta energy: -13.455
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: 3
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -149.154885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.154885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.219039 (E_RNA)
where:
Base-Base interactions energy: -91.200
where: short stacking energy: -46.215
Base-Backbone interact. energy: 2.466
local terms energy: -60.484900
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -5.651
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: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -151.121734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.121734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.160819 (E_RNA)
where:
Base-Base interactions energy: -97.160
where: short stacking energy: -48.965
Base-Backbone interact. energy: -0.157
local terms energy: -53.843751
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: 1.419
tors. eta vs tors. theta energy: -9.907
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: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -239.554720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.554720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.640758 (E_RNA)
where:
Base-Base interactions energy: -160.682
where: short stacking energy: -86.919
Base-Backbone interact. energy: -0.022
local terms energy: -78.936013
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -22.023
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: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -236.389752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.389752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.958901 (E_RNA)
where:
Base-Base interactions energy: -154.996
where: short stacking energy: -86.281
Base-Backbone interact. energy: -0.204
local terms energy: -82.758997
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -21.920
Dist. restrs. and SS energy: 1.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -207.165483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.165483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.778230 (E_RNA)
where:
Base-Base interactions energy: -126.661
where: short stacking energy: -75.778
Base-Backbone interact. energy: -0.057
local terms energy: -81.060259
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -200.267874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.267874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.292490 (E_RNA)
where:
Base-Base interactions energy: -126.897
where: short stacking energy: -74.103
Base-Backbone interact. energy: -0.002
local terms energy: -73.394345
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -16.523
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: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -182.073831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.073831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.585047 (E_RNA)
where:
Base-Base interactions energy: -114.638
where: short stacking energy: -69.410
Base-Backbone interact. energy: -0.027
local terms energy: -67.920565
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -201.563424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.563424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.760411 (E_RNA)
where:
Base-Base interactions energy: -130.808
where: short stacking energy: -69.558
Base-Backbone interact. energy: -0.075
local terms energy: -70.877322
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -16.421
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: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -169.860236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.860236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.980665 (E_RNA)
where:
Base-Base interactions energy: -112.481
where: short stacking energy: -69.696
Base-Backbone interact. energy: -0.613
local terms energy: -56.887304
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -12.224
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: 8
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -157.144182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.144182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.335183 (E_RNA)
where:
Base-Base interactions energy: -98.733
where: short stacking energy: -53.622
Base-Backbone interact. energy: -0.017
local terms energy: -58.585098
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -9.617
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: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -190.196813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.196813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.218922 (E_RNA)
where:
Base-Base interactions energy: -128.544
where: short stacking energy: -67.536
Base-Backbone interact. energy: -0.022
local terms energy: -62.652682
where:
bonds (distance) C4'-P energy: -8.108
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 1.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -148.226767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.226767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.323335 (E_RNA)
where:
Base-Base interactions energy: -97.556
where: short stacking energy: -47.017
Base-Backbone interact. energy: -0.239
local terms energy: -50.528359
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -8.422
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: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -239.885174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.885174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.730540 (E_RNA)
where:
Base-Base interactions energy: -157.410
where: short stacking energy: -81.131
Base-Backbone interact. energy: -0.093
local terms energy: -84.227609
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 1.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -238.375689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.375689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.473024 (E_RNA)
where:
Base-Base interactions energy: -151.747
where: short stacking energy: -82.576
Base-Backbone interact. energy: -0.101
local terms energy: -86.624859
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -22.696
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -208.114710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.114710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.140585 (E_RNA)
where:
Base-Base interactions energy: -128.282
where: short stacking energy: -73.127
Base-Backbone interact. energy: -0.002
local terms energy: -79.856545
where:
bonds (distance) C4'-P energy: -18.503
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -18.202
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: 182
Temperature: 1.050000
Total energy: -195.322061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.322061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.216694 (E_RNA)
where:
Base-Base interactions energy: -119.735
where: short stacking energy: -67.857
Base-Backbone interact. energy: -0.054
local terms energy: -76.428447
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -202.352584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.352584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.368445 (E_RNA)
where:
Base-Base interactions energy: -127.636
where: short stacking energy: -61.485
Base-Backbone interact. energy: -0.105
local terms energy: -74.627855
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -14.997
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: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -177.569056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.569056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.588281 (E_RNA)
where:
Base-Base interactions energy: -110.580
where: short stacking energy: -66.349
Base-Backbone interact. energy: -0.004
local terms energy: -67.004175
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -15.929
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: 182
Temperature: 1.200000
Total energy: -172.739647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.739647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.761806 (E_RNA)
where:
Base-Base interactions energy: -105.389
where: short stacking energy: -57.747
Base-Backbone interact. energy: -0.309
local terms energy: -67.064419
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -13.857
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: 182
Temperature: 1.250000
Total energy: -163.227337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.227337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.403211 (E_RNA)
where:
Base-Base interactions energy: -98.490
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.077
local terms energy: -64.836490
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -8.550
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: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -156.098483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.098483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.310007 (E_RNA)
where:
Base-Base interactions energy: -96.719
where: short stacking energy: -52.803
Base-Backbone interact. energy: -0.098
local terms energy: -59.493159
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -11.228
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -159.136027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.136027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.350059 (E_RNA)
where:
Base-Base interactions energy: -97.594
where: short stacking energy: -42.636
Base-Backbone interact. energy: -0.097
local terms energy: -61.658426
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -11.155
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: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -241.540173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.540173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.242367 (E_RNA)
where:
Base-Base interactions energy: -159.648
where: short stacking energy: -76.816
Base-Backbone interact. energy: -0.002
local terms energy: -82.592447
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -225.070821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.070821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.062768 (E_RNA)
where:
Base-Base interactions energy: -143.271
where: short stacking energy: -75.064
Base-Backbone interact. energy: -0.044
local terms energy: -82.747443
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -21.961
Dist. restrs. and SS energy: 0.992 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -213.199631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.199631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.326885 (E_RNA)
where:
Base-Base interactions energy: -135.322
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.305
local terms energy: -77.699517
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -18.400
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: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -224.414764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.414764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.268871 (E_RNA)
where:
Base-Base interactions energy: -145.073
where: short stacking energy: -72.290
Base-Backbone interact. energy: -0.152
local terms energy: -80.044490
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -22.688
Dist. restrs. and SS energy: 0.854 (S_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: -174.693298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.693298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.760572 (E_RNA)
where:
Base-Base interactions energy: -110.959
where: short stacking energy: -64.679
Base-Backbone interact. energy: -0.525
local terms energy: -63.276833
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -10.576
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: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -168.242022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.242022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.242022 (E_RNA)
where:
Base-Base interactions energy: -107.402
where: short stacking energy: -60.641
Base-Backbone interact. energy: 0.160
local terms energy: -61.000373
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -14.944
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: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -174.936081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.936081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.022036 (E_RNA)
where:
Base-Base interactions energy: -108.536
where: short stacking energy: -66.085
Base-Backbone interact. energy: -0.045
local terms energy: -66.440711
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -13.204
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: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -154.908720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.908720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.964276 (E_RNA)
where:
Base-Base interactions energy: -92.300
where: short stacking energy: -54.869
Base-Backbone interact. energy: 2.278
local terms energy: -64.942081
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -10.611
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: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -154.735327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.735327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.742478 (E_RNA)
where:
Base-Base interactions energy: -91.753
where: short stacking energy: -51.213
Base-Backbone interact. energy: -0.163
local terms energy: -62.826733
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -9.216
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: 183
Temperature: 1.350000
Total energy: -143.094250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.094250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.101189 (E_RNA)
where:
Base-Base interactions energy: -85.957
where: short stacking energy: -50.025
Base-Backbone interact. energy: 1.075
local terms energy: -59.219469
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -8.249
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 1.007 (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: 184
Temperature: 0.900000
Total energy: -237.551860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.551860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.926254 (E_RNA)
where:
Base-Base interactions energy: -154.528
where: short stacking energy: -86.868
Base-Backbone interact. energy: -0.565
local terms energy: -82.832863
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -231.858981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.858981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.859935 (E_RNA)
where:
Base-Base interactions energy: -150.553
where: short stacking energy: -80.510
Base-Backbone interact. energy: -0.329
local terms energy: -80.978234
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -21.156
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: 184
Temperature: 1.000000
Total energy: -226.398949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.398949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.936308 (E_RNA)
where:
Base-Base interactions energy: -147.550
where: short stacking energy: -75.030
Base-Backbone interact. energy: -1.303
local terms energy: -78.082888
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -21.653
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: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -218.315652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.357858 (E_RNA)
where:
Base-Base interactions energy: -137.299
where: short stacking energy: -78.663
Base-Backbone interact. energy: -0.006
local terms energy: -81.053422
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -21.037
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: 1
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -181.744212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.744212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.567988 (E_RNA)
where:
Base-Base interactions energy: -106.663
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.170
local terms energy: -75.735385
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.824 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -179.765858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.765858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.636902 (E_RNA)
where:
Base-Base interactions energy: -108.450
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.687
local terms energy: -72.500307
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -13.175
Dist. restrs. and SS energy: 1.871 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -162.070527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.070527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.080423 (E_RNA)
where:
Base-Base interactions energy: -99.036
where: short stacking energy: -60.134
Base-Backbone interact. energy: -0.124
local terms energy: -62.920928
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -13.103
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: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -151.043544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.043544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.044580 (E_RNA)
where:
Base-Base interactions energy: -98.931
where: short stacking energy: -50.830
Base-Backbone interact. energy: -0.101
local terms energy: -52.012298
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -6.616
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: 184
Temperature: 1.300000
Total energy: -159.638018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.638018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.656740 (E_RNA)
where:
Base-Base interactions energy: -98.816
where: short stacking energy: -55.755
Base-Backbone interact. energy: -0.790
local terms energy: -60.050552
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -8.988
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: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -150.249027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.249027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.171943 (E_RNA)
where:
Base-Base interactions energy: -84.373
where: short stacking energy: -43.493
Base-Backbone interact. energy: -0.020
local terms energy: -66.779152
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -242.424703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.424703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.424703 (E_RNA)
where:
Base-Base interactions energy: -160.845
where: short stacking energy: -83.281
Base-Backbone interact. energy: -0.124
local terms energy: -81.455704
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -22.570
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: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -233.781428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.781428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.332174 (E_RNA)
where:
Base-Base interactions energy: -153.106
where: short stacking energy: -81.183
Base-Backbone interact. energy: -0.014
local terms energy: -81.211941
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.551 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -226.864750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.864750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.651276 (E_RNA)
where:
Base-Base interactions energy: -155.937
where: short stacking energy: -81.031
Base-Backbone interact. energy: -0.004
local terms energy: -71.711136
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -19.426
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -183.402084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.402084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.748529 (E_RNA)
where:
Base-Base interactions energy: -105.942
where: short stacking energy: -66.522
Base-Backbone interact. energy: -0.695
local terms energy: -77.111731
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -18.686
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: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -200.635251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.635251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.758944 (E_RNA)
where:
Base-Base interactions energy: -119.034
where: short stacking energy: -74.064
Base-Backbone interact. energy: -0.239
local terms energy: -81.485187
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -20.887
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -166.537941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.537941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.618872 (E_RNA)
where:
Base-Base interactions energy: -98.936
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.536
local terms energy: -67.147027
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -11.102
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: 185
Temperature: 1.200000
Total energy: -167.894698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.894698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.944973 (E_RNA)
where:
Base-Base interactions energy: -109.573
where: short stacking energy: -69.670
Base-Backbone interact. energy: -0.156
local terms energy: -58.216221
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -161.452816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.452816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.454881 (E_RNA)
where:
Base-Base interactions energy: -102.923
where: short stacking energy: -60.619
Base-Backbone interact. energy: -0.101
local terms energy: -58.430333
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -10.823
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -13.506
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: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -157.929245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.929245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.073798 (E_RNA)
where:
Base-Base interactions energy: -87.019
where: short stacking energy: -48.976
Base-Backbone interact. energy: 0.349
local terms energy: -71.404260
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -145.446817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.446817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.620794 (E_RNA)
where:
Base-Base interactions energy: -94.654
where: short stacking energy: -41.794
Base-Backbone interact. energy: -0.206
local terms energy: -50.761433
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -7.029
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -8.374
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: 186
Temperature: 0.900000
Total energy: -241.147054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.147054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.687542 (E_RNA)
where:
Base-Base interactions energy: -156.649
where: short stacking energy: -71.954
Base-Backbone interact. energy: -0.331
local terms energy: -84.707487
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -21.817
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: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -235.625749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.625749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.625749 (E_RNA)
where:
Base-Base interactions energy: -155.584
where: short stacking energy: -84.912
Base-Backbone interact. energy: -0.001
local terms energy: -80.040396
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: -0.000 (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: 186
Temperature: 1.000000
Total energy: -229.462851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.462851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.462851 (E_RNA)
where:
Base-Base interactions energy: -149.277
where: short stacking energy: -81.167
Base-Backbone interact. energy: 1.995
local terms energy: -82.180924
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -25.160
Dist. restrs. and SS energy: -0.000 (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: 186
Temperature: 1.050000
Total energy: -189.205430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.205430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.264767 (E_RNA)
where:
Base-Base interactions energy: -107.382
where: short stacking energy: -60.781
Base-Backbone interact. energy: -1.459
local terms energy: -80.424037
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -21.752
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: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -188.351065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.351065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.981472 (E_RNA)
where:
Base-Base interactions energy: -119.222
where: short stacking energy: -52.177
Base-Backbone interact. energy: -0.313
local terms energy: -70.445878
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 1.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -174.858000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.858000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.336784 (E_RNA)
where:
Base-Base interactions energy: -105.687
where: short stacking energy: -69.956
Base-Backbone interact. energy: -0.007
local terms energy: -69.642710
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -16.681
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: 7, replica: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -168.952846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.952846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.986845 (E_RNA)
where:
Base-Base interactions energy: -112.925
where: short stacking energy: -66.487
Base-Backbone interact. energy: -0.002
local terms energy: -56.059828
where:
bonds (distance) C4'-P energy: -5.552
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -13.260
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: 186
Temperature: 1.250000
Total energy: -168.332731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.332731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.491349 (E_RNA)
where:
Base-Base interactions energy: -108.973
where: short stacking energy: -70.438
Base-Backbone interact. energy: 0.059
local terms energy: -59.577348
where:
bonds (distance) C4'-P energy: -4.367
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -15.966
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: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -166.799334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.799334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.018400 (E_RNA)
where:
Base-Base interactions energy: -99.865
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.246
local terms energy: -66.908184
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -153.512186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.512186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.708265 (E_RNA)
where:
Base-Base interactions energy: -103.515
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.022
local terms energy: -51.171250
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -1.030
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -239.156034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.156034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.831731 (E_RNA)
where:
Base-Base interactions energy: -156.520
where: short stacking energy: -84.984
Base-Backbone interact. energy: -0.023
local terms energy: -83.288775
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -239.205001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.205001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.435406 (E_RNA)
where:
Base-Base interactions energy: -155.134
where: short stacking energy: -79.562
Base-Backbone interact. energy: -0.052
local terms energy: -85.250176
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 1.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -229.589573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.589573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.731540 (E_RNA)
where:
Base-Base interactions energy: -156.416
where: short stacking energy: -79.173
Base-Backbone interact. energy: 0.802
local terms energy: -74.117838
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -197.219499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.219499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.638124 (E_RNA)
where:
Base-Base interactions energy: -122.771
where: short stacking energy: -65.225
Base-Backbone interact. energy: -0.717
local terms energy: -74.150344
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -16.467
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: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -176.625450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.625450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.638445 (E_RNA)
where:
Base-Base interactions energy: -113.899
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.191
local terms energy: -62.547829
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -9.796
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: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -178.814968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.814968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.886207 (E_RNA)
where:
Base-Base interactions energy: -104.372
where: short stacking energy: -61.691
Base-Backbone interact. energy: -0.037
local terms energy: -74.476929
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -16.605
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: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -162.697624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.697624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.063154 (E_RNA)
where:
Base-Base interactions energy: -104.121
where: short stacking energy: -63.219
Base-Backbone interact. energy: -0.110
local terms energy: -58.832801
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -12.162
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: 8, replica: 8
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -151.532870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.532870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.809067 (E_RNA)
where:
Base-Base interactions energy: -92.153
where: short stacking energy: -55.599
Base-Backbone interact. energy: 0.569
local terms energy: -60.225703
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -163.679096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.679096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.063774 (E_RNA)
where:
Base-Base interactions energy: -104.869
where: short stacking energy: -61.292
Base-Backbone interact. energy: -0.151
local terms energy: -60.044224
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -12.901
Dist. restrs. and SS energy: 1.385 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -154.372672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.372672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.576122 (E_RNA)
where:
Base-Base interactions energy: -92.381
where: short stacking energy: -56.350
Base-Backbone interact. energy: -0.443
local terms energy: -61.752170
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -11.897
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: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -240.304129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.304129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.078287 (E_RNA)
where:
Base-Base interactions energy: -156.215
where: short stacking energy: -73.633
Base-Backbone interact. energy: 0.182
local terms energy: -85.044646
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -20.787
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -220.448351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.448351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.278880 (E_RNA)
where:
Base-Base interactions energy: -137.253
where: short stacking energy: -78.265
Base-Backbone interact. energy: -1.508
local terms energy: -82.517721
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -199.959654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.959654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.048093 (E_RNA)
where:
Base-Base interactions energy: -118.701
where: short stacking energy: -63.590
Base-Backbone interact. energy: -1.396
local terms energy: -79.951161
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -16.260
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: 188
Temperature: 1.050000
Total energy: -225.205175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.205175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.359514 (E_RNA)
where:
Base-Base interactions energy: -149.311
where: short stacking energy: -85.208
Base-Backbone interact. energy: -0.166
local terms energy: -75.882259
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -8.564
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -23.421
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -180.448475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.448475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.448475 (E_RNA)
where:
Base-Base interactions energy: -111.444
where: short stacking energy: -68.508
Base-Backbone interact. energy: -0.033
local terms energy: -68.971287
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.267
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: 6, replica: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -166.299733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.299733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.323223 (E_RNA)
where:
Base-Base interactions energy: -99.380
where: short stacking energy: -58.860
Base-Backbone interact. energy: -1.437
local terms energy: -65.505670
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -10.526
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: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -169.731978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.731978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.999307 (E_RNA)
where:
Base-Base interactions energy: -104.386
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.006
local terms energy: -65.607035
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -14.191
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -162.626249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.626249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.665895 (E_RNA)
where:
Base-Base interactions energy: -103.930
where: short stacking energy: -57.394
Base-Backbone interact. energy: -0.343
local terms energy: -58.392872
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -9.831
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: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -171.644216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.644216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.763236 (E_RNA)
where:
Base-Base interactions energy: -108.324
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.019
local terms energy: -63.420916
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -15.190
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: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -154.115785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.115785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.301159 (E_RNA)
where:
Base-Base interactions energy: -97.299
where: short stacking energy: -52.602
Base-Backbone interact. energy: -0.285
local terms energy: -56.717527
where:
bonds (distance) C4'-P energy: -8.914
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -11.963
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: 189
Temperature: 0.900000
Total energy: -233.147106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.147106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.910574 (E_RNA)
where:
Base-Base interactions energy: -150.741
where: short stacking energy: -82.377
Base-Backbone interact. energy: -0.067
local terms energy: -83.102545
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -21.154
Dist. restrs. and SS energy: 0.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -213.551770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.551770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.718047 (E_RNA)
where:
Base-Base interactions energy: -137.807
where: short stacking energy: -61.715
Base-Backbone interact. energy: 0.038
local terms energy: -76.948766
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 1.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -218.204834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.204834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.999247 (E_RNA)
where:
Base-Base interactions energy: -145.504
where: short stacking energy: -77.312
Base-Backbone interact. energy: -0.030
local terms energy: -73.464822
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -184.271592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.271592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.458904 (E_RNA)
where:
Base-Base interactions energy: -108.974
where: short stacking energy: -72.735
Base-Backbone interact. energy: -0.017
local terms energy: -75.467528
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -17.077
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: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -182.002283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.002283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.472069 (E_RNA)
where:
Base-Base interactions energy: -105.214
where: short stacking energy: -63.665
Base-Backbone interact. energy: -0.001
local terms energy: -77.257129
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -16.613
Dist. restrs. and SS energy: 0.470 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -173.804786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.804786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.286186 (E_RNA)
where:
Base-Base interactions energy: -111.989
where: short stacking energy: -63.647
Base-Backbone interact. energy: -0.208
local terms energy: -62.089159
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -176.894026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.894026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.894026 (E_RNA)
where:
Base-Base interactions energy: -109.357
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.176
local terms energy: -67.361539
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (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: 189
Temperature: 1.250000
Total energy: -174.564680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.564680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.736694 (E_RNA)
where:
Base-Base interactions energy: -103.666
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.074
local terms energy: -70.996729
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -18.317
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -156.079237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.079237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.439360 (E_RNA)
where:
Base-Base interactions energy: -94.021
where: short stacking energy: -57.206
Base-Backbone interact. energy: -0.020
local terms energy: -62.399068
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -160.538878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.538878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.824634 (E_RNA)
where:
Base-Base interactions energy: -88.584
where: short stacking energy: -50.869
Base-Backbone interact. energy: -1.524
local terms energy: -70.716930
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -224.425639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.425639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.545753 (E_RNA)
where:
Base-Base interactions energy: -141.907
where: short stacking energy: -60.199
Base-Backbone interact. energy: 0.533
local terms energy: -83.171986
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: -12.932
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: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -236.153132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.153132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.399702 (E_RNA)
where:
Base-Base interactions energy: -157.089
where: short stacking energy: -87.851
Base-Backbone interact. energy: -0.037
local terms energy: -80.274387
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 1.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -216.550769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.550769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.492257 (E_RNA)
where:
Base-Base interactions energy: -139.649
where: short stacking energy: -76.521
Base-Backbone interact. energy: -0.036
local terms energy: -77.806739
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -19.700
Dist. restrs. and SS energy: 0.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -185.478248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.478248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.919419 (E_RNA)
where:
Base-Base interactions energy: -108.425
where: short stacking energy: -68.972
Base-Backbone interact. energy: 0.720
local terms energy: -78.214402
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -171.361634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.361634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.562734 (E_RNA)
where:
Base-Base interactions energy: -106.260
where: short stacking energy: -61.124
Base-Backbone interact. energy: 0.153
local terms energy: -65.455582
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -10.912
Dist. restrs. and SS energy: 0.201 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -188.244353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.244353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.314459 (E_RNA)
where:
Base-Base interactions energy: -116.188
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.284
local terms energy: -71.841869
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -166.440209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.440209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.504102 (E_RNA)
where:
Base-Base interactions energy: -100.577
where: short stacking energy: -56.810
Base-Backbone interact. energy: -0.689
local terms energy: -65.237926
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -184.537474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.537474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.582933 (E_RNA)
where:
Base-Base interactions energy: -123.164
where: short stacking energy: -68.759
Base-Backbone interact. energy: 0.313
local terms energy: -61.732161
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -15.664
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: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -160.640516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.640516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.087506 (E_RNA)
where:
Base-Base interactions energy: -103.370
where: short stacking energy: -53.672
Base-Backbone interact. energy: -0.341
local terms energy: -57.376489
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -11.262
Dist. restrs. and SS energy: 0.447 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -148.295938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.295938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.433519 (E_RNA)
where:
Base-Base interactions energy: -94.617
where: short stacking energy: -55.727
Base-Backbone interact. energy: 0.630
local terms energy: -54.447074
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -7.741
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: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -233.203317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.203317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.203317 (E_RNA)
where:
Base-Base interactions energy: -157.179
where: short stacking energy: -73.542
Base-Backbone interact. energy: -0.263
local terms energy: -75.760439
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (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: 191
Temperature: 0.950000
Total energy: -228.844484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.844484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.193625 (E_RNA)
where:
Base-Base interactions energy: -151.343
where: short stacking energy: -83.477
Base-Backbone interact. energy: -0.923
local terms energy: -77.927940
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -21.591
Dist. restrs. and SS energy: 1.349 (S_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: 191
Temperature: 1.000000
Total energy: -224.227929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.227929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.975484 (E_RNA)
where:
Base-Base interactions energy: -142.900
where: short stacking energy: -79.045
Base-Backbone interact. energy: -0.449
local terms energy: -81.626015
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -176.076497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.076497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.076497 (E_RNA)
where:
Base-Base interactions energy: -115.480
where: short stacking energy: -51.980
Base-Backbone interact. energy: 0.475
local terms energy: -61.070779
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -9.154
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: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -202.593078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.593078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.666011 (E_RNA)
where:
Base-Base interactions energy: -134.108
where: short stacking energy: -68.794
Base-Backbone interact. energy: -0.033
local terms energy: -68.524207
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -19.273
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: 191
Temperature: 1.150000
Total energy: -179.749506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.749506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.834066 (E_RNA)
where:
Base-Base interactions energy: -111.755
where: short stacking energy: -71.687
Base-Backbone interact. energy: -0.004
local terms energy: -68.074223
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -15.811
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: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -173.449603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.449603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.457138 (E_RNA)
where:
Base-Base interactions energy: -106.432
where: short stacking energy: -62.884
Base-Backbone interact. energy: -1.300
local terms energy: -65.725697
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -15.846
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: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -168.927108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.927108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.098716 (E_RNA)
where:
Base-Base interactions energy: -107.671
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.174
local terms energy: -61.252826
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -15.441
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: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -160.679497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.679497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.700806 (E_RNA)
where:
Base-Base interactions energy: -109.043
where: short stacking energy: -57.152
Base-Backbone interact. energy: 0.861
local terms energy: -52.518929
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -11.748
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: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -143.361784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.361784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.500161 (E_RNA)
where:
Base-Base interactions energy: -89.654
where: short stacking energy: -48.226
Base-Backbone interact. energy: -0.696
local terms energy: -53.150241
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -7.107
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -11.913
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: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -217.891317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.891317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.461651 (E_RNA)
where:
Base-Base interactions energy: -135.071
where: short stacking energy: -79.757
Base-Backbone interact. energy: -0.004
local terms energy: -83.385980
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -21.775
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -227.926087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.926087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.102583 (E_RNA)
where:
Base-Base interactions energy: -150.091
where: short stacking energy: -72.234
Base-Backbone interact. energy: -0.185
local terms energy: -77.826311
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -219.547560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.547560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.637808 (E_RNA)
where:
Base-Base interactions energy: -142.605
where: short stacking energy: -73.954
Base-Backbone interact. energy: -1.808
local terms energy: -77.224305
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 2.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -179.367305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.367305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.479833 (E_RNA)
where:
Base-Base interactions energy: -107.310
where: short stacking energy: -56.805
Base-Backbone interact. energy: -0.072
local terms energy: -72.097908
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -230.032722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.032722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.175342 (E_RNA)
where:
Base-Base interactions energy: -151.060
where: short stacking energy: -84.548
Base-Backbone interact. energy: 0.256
local terms energy: -80.370992
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 1.143 (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: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -183.126862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.126862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.126862 (E_RNA)
where:
Base-Base interactions energy: -115.432
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.512
local terms energy: -67.183322
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (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: 192
Temperature: 1.200000
Total energy: -170.912563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.912563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.037185 (E_RNA)
where:
Base-Base interactions energy: -98.252
where: short stacking energy: -53.272
Base-Backbone interact. energy: -0.208
local terms energy: -72.577259
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -10.673
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: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -191.152768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.152768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.152768 (E_RNA)
where:
Base-Base interactions energy: -125.855
where: short stacking energy: -72.398
Base-Backbone interact. energy: -0.013
local terms energy: -65.285202
where:
bonds (distance) C4'-P energy: -5.248
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: -0.000 (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: 192
Temperature: 1.300000
Total energy: -161.664678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.664678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.671079 (E_RNA)
where:
Base-Base interactions energy: -99.399
where: short stacking energy: -57.340
Base-Backbone interact. energy: -1.320
local terms energy: -60.951744
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -9.636
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: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -153.611830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.611830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.774629 (E_RNA)
where:
Base-Base interactions energy: -92.356
where: short stacking energy: -58.727
Base-Backbone interact. energy: 0.800
local terms energy: -62.218345
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -14.481
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: 193
Temperature: 0.900000
Total energy: -236.468324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.468324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.424957 (E_RNA)
where:
Base-Base interactions energy: -157.319
where: short stacking energy: -85.026
Base-Backbone interact. energy: -0.155
local terms energy: -80.951078
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -232.413867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.413867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.738999 (E_RNA)
where:
Base-Base interactions energy: -151.265
where: short stacking energy: -80.938
Base-Backbone interact. energy: -0.107
local terms energy: -82.366512
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 1.325 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -227.391215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.391215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.688505 (E_RNA)
where:
Base-Base interactions energy: -147.859
where: short stacking energy: -79.594
Base-Backbone interact. energy: -0.880
local terms energy: -78.949172
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -24.121
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: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -198.655149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.655149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.655149 (E_RNA)
where:
Base-Base interactions energy: -122.385
where: short stacking energy: -75.229
Base-Backbone interact. energy: -0.011
local terms energy: -76.259335
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -19.817
Dist. restrs. and SS energy: -0.000 (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: 193
Temperature: 1.100000
Total energy: -187.370965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.370965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.380337 (E_RNA)
where:
Base-Base interactions energy: -116.866
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.130
local terms energy: -70.384233
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -14.424
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: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -186.645932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.645932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.818553 (E_RNA)
where:
Base-Base interactions energy: -123.022
where: short stacking energy: -61.573
Base-Backbone interact. energy: -0.017
local terms energy: -63.779647
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -15.187
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: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -169.590975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.590975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.921456 (E_RNA)
where:
Base-Base interactions energy: -112.710
where: short stacking energy: -62.653
Base-Backbone interact. energy: -0.036
local terms energy: -57.175945
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -168.474528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.474528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.608211 (E_RNA)
where:
Base-Base interactions energy: -101.107
where: short stacking energy: -58.792
Base-Backbone interact. energy: -0.148
local terms energy: -67.352694
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -13.936
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: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -142.985853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.985853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.145174 (E_RNA)
where:
Base-Base interactions energy: -90.266
where: short stacking energy: -48.623
Base-Backbone interact. energy: -0.061
local terms energy: -52.818966
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -4.324
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: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -155.701381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.701381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.886967 (E_RNA)
where:
Base-Base interactions energy: -100.534
where: short stacking energy: -60.129
Base-Backbone interact. energy: -0.376
local terms energy: -54.977716
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -9.760
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: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -237.586377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.586377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.054685 (E_RNA)
where:
Base-Base interactions energy: -157.180
where: short stacking energy: -90.669
Base-Backbone interact. energy: -0.133
local terms energy: -81.740926
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 1.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -231.465187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.465187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.074542 (E_RNA)
where:
Base-Base interactions energy: -155.990
where: short stacking energy: -82.024
Base-Backbone interact. energy: -0.005
local terms energy: -76.080031
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -227.398721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.398721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.417075 (E_RNA)
where:
Base-Base interactions energy: -148.883
where: short stacking energy: -77.803
Base-Backbone interact. energy: -0.005
local terms energy: -78.529058
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -21.157
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: 194
Temperature: 1.050000
Total energy: -185.926100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.926100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.071199 (E_RNA)
where:
Base-Base interactions energy: -112.442
where: short stacking energy: -74.520
Base-Backbone interact. energy: -0.060
local terms energy: -74.569459
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 1.145 (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: 194
Temperature: 1.100000
Total energy: -199.630151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.630151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706100 (E_RNA)
where:
Base-Base interactions energy: -129.798
where: short stacking energy: -67.777
Base-Backbone interact. energy: -0.228
local terms energy: -69.680099
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -16.562
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: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -163.304752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.304752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.281162 (E_RNA)
where:
Base-Base interactions energy: -97.058
where: short stacking energy: -59.375
Base-Backbone interact. energy: -0.139
local terms energy: -67.084482
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -10.359
Dist. restrs. and SS energy: 0.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -171.845669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.845669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.845669 (E_RNA)
where:
Base-Base interactions energy: -107.018
where: short stacking energy: -47.796
Base-Backbone interact. energy: -0.404
local terms energy: -64.423633
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -8.796
Dist. restrs. and SS energy: 0.000 (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: 194
Temperature: 1.250000
Total energy: -146.242881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.242881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.258733 (E_RNA)
where:
Base-Base interactions energy: -85.067
where: short stacking energy: -48.755
Base-Backbone interact. energy: -0.173
local terms energy: -61.018925
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -4.139
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: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -148.307561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.307561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.403515 (E_RNA)
where:
Base-Base interactions energy: -90.824
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.358
local terms energy: -57.221282
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -9.033
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -10.903
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: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -147.097664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.097664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.305668 (E_RNA)
where:
Base-Base interactions energy: -90.238
where: short stacking energy: -49.716
Base-Backbone interact. energy: -0.201
local terms energy: -56.867132
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -7.698
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: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -236.615807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.615807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.489998 (E_RNA)
where:
Base-Base interactions energy: -155.757
where: short stacking energy: -87.717
Base-Backbone interact. energy: -0.026
local terms energy: -81.707481
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -21.536
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -235.071185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.071185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.241880 (E_RNA)
where:
Base-Base interactions energy: -158.076
where: short stacking energy: -80.241
Base-Backbone interact. energy: -0.648
local terms energy: -77.518178
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 1.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -221.759153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.759153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.791198 (E_RNA)
where:
Base-Base interactions energy: -147.972
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.011
local terms energy: -73.807747
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -19.277
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: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -200.251323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.251323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.251323 (E_RNA)
where:
Base-Base interactions energy: -125.263
where: short stacking energy: -68.661
Base-Backbone interact. energy: -0.211
local terms energy: -74.777551
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -16.943
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -184.368109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.368109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.868468 (E_RNA)
where:
Base-Base interactions energy: -112.699
where: short stacking energy: -60.867
Base-Backbone interact. energy: -0.843
local terms energy: -71.326985
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -182.323250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.323250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.576727 (E_RNA)
where:
Base-Base interactions energy: -118.511
where: short stacking energy: -56.501
Base-Backbone interact. energy: -0.101
local terms energy: -64.964471
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -171.662724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.662724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.721693 (E_RNA)
where:
Base-Base interactions energy: -119.274
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.225
local terms energy: -53.222845
where:
bonds (distance) C4'-P energy: -7.109
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 1.059 (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: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -173.030171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.030171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.077117 (E_RNA)
where:
Base-Base interactions energy: -111.301
where: short stacking energy: -66.514
Base-Backbone interact. energy: 4.164
local terms energy: -65.939553
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -15.803
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: 195
Temperature: 1.300000
Total energy: -162.496107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.496107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.584033 (E_RNA)
where:
Base-Base interactions energy: -97.844
where: short stacking energy: -50.536
Base-Backbone interact. energy: -0.695
local terms energy: -64.044915
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -8.995
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: 195
Temperature: 1.350000
Total energy: -153.544368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.544368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.682346 (E_RNA)
where:
Base-Base interactions energy: -84.011
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.078
local terms energy: -69.592902
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -11.438
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: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -241.192939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.192939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.065058 (E_RNA)
where:
Base-Base interactions energy: -158.095
where: short stacking energy: -82.688
Base-Backbone interact. energy: -0.004
local terms energy: -83.966543
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -22.791
Dist. restrs. and SS energy: 0.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -240.632411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.632411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.167696 (E_RNA)
where:
Base-Base interactions energy: -154.923
where: short stacking energy: -85.222
Base-Backbone interact. energy: -0.015
local terms energy: -86.229625
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -215.344767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.344767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.422579 (E_RNA)
where:
Base-Base interactions energy: -138.885
where: short stacking energy: -76.549
Base-Backbone interact. energy: -0.602
local terms energy: -75.935424
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -20.325
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: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -216.485388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.485388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.223804 (E_RNA)
where:
Base-Base interactions energy: -147.119
where: short stacking energy: -63.713
Base-Backbone interact. energy: -0.177
local terms energy: -69.927803
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.738 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -186.957249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.957249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.962347 (E_RNA)
where:
Base-Base interactions energy: -110.799
where: short stacking energy: -70.214
Base-Backbone interact. energy: -0.013
local terms energy: -76.149512
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -15.249
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: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -196.242145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.242145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.239901 (E_RNA)
where:
Base-Base interactions energy: -126.347
where: short stacking energy: -71.077
Base-Backbone interact. energy: -1.253
local terms energy: -69.640273
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.998 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -172.331268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.331268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.561021 (E_RNA)
where:
Base-Base interactions energy: -105.993
where: short stacking energy: -55.212
Base-Backbone interact. energy: -0.037
local terms energy: -66.530516
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -147.937106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.937106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.937106 (E_RNA)
where:
Base-Base interactions energy: -97.710
where: short stacking energy: -51.853
Base-Backbone interact. energy: -0.006
local terms energy: -50.221169
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -4.392
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: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -155.917518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.917518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.684491 (E_RNA)
where:
Base-Base interactions energy: -92.876
where: short stacking energy: -41.540
Base-Backbone interact. energy: -2.350
local terms energy: -61.459395
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -7.220
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -163.538736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.538736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.538736 (E_RNA)
where:
Base-Base interactions energy: -96.763
where: short stacking energy: -47.075
Base-Backbone interact. energy: -0.332
local terms energy: -66.443486
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: -0.000 (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: 197
Temperature: 0.900000
Total energy: -240.745044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.745044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.797361 (E_RNA)
where:
Base-Base interactions energy: -155.194
where: short stacking energy: -86.795
Base-Backbone interact. energy: -0.313
local terms energy: -85.290374
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -25.611
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: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -198.874623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.874623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.595296 (E_RNA)
where:
Base-Base interactions energy: -127.415
where: short stacking energy: -66.983
Base-Backbone interact. energy: -0.183
local terms energy: -71.996844
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.721 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -226.894230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.894230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.037471 (E_RNA)
where:
Base-Base interactions energy: -146.191
where: short stacking energy: -81.504
Base-Backbone interact. energy: -0.009
local terms energy: -80.837319
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -22.409
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: 197
Temperature: 1.050000
Total energy: -214.858343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.858343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.875197 (E_RNA)
where:
Base-Base interactions energy: -146.437
where: short stacking energy: -66.844
Base-Backbone interact. energy: -0.227
local terms energy: -68.211402
where:
bonds (distance) C4'-P energy: -9.008
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -16.923
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: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -195.480357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.480357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.739117 (E_RNA)
where:
Base-Base interactions energy: -119.443
where: short stacking energy: -65.740
Base-Backbone interact. energy: -0.118
local terms energy: -76.177527
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -16.163
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: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -188.687326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.687326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.868804 (E_RNA)
where:
Base-Base interactions energy: -121.529
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.084
local terms energy: -68.255459
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 1.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -184.377016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.377016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.267552 (E_RNA)
where:
Base-Base interactions energy: -124.114
where: short stacking energy: -69.355
Base-Backbone interact. energy: -0.449
local terms energy: -61.705105
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -14.411
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -166.577701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.577701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.785134 (E_RNA)
where:
Base-Base interactions energy: -110.746
where: short stacking energy: -62.604
Base-Backbone interact. energy: 0.252
local terms energy: -56.291629
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -1.858
tors. eta vs tors. theta energy: -7.488
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: 197
Temperature: 1.300000
Total energy: -151.679850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.679850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.679850 (E_RNA)
where:
Base-Base interactions energy: -81.990
where: short stacking energy: -44.337
Base-Backbone interact. energy: -0.169
local terms energy: -69.520395
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -7.713
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: 10, replica: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -141.824474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.824474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.870018 (E_RNA)
where:
Base-Base interactions energy: -81.686
where: short stacking energy: -49.607
Base-Backbone interact. energy: -0.620
local terms energy: -59.563466
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -7.950
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: 198
Temperature: 0.900000
Total energy: -244.570402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.570402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.570898 (E_RNA)
where:
Base-Base interactions energy: -156.413
where: short stacking energy: -84.411
Base-Backbone interact. energy: -0.048
local terms energy: -88.110369
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (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: 198
Temperature: 0.950000
Total energy: -197.891753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.891753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.898801 (E_RNA)
where:
Base-Base interactions energy: -120.168
where: short stacking energy: -76.232
Base-Backbone interact. energy: -0.176
local terms energy: -77.555000
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -18.328
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: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -238.426244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.426244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.426244 (E_RNA)
where:
Base-Base interactions energy: -146.673
where: short stacking energy: -78.923
Base-Backbone interact. energy: -0.977
local terms energy: -90.776767
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -23.545
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: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -192.230614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.230614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.280274 (E_RNA)
where:
Base-Base interactions energy: -119.748
where: short stacking energy: -66.825
Base-Backbone interact. energy: -0.055
local terms energy: -72.477778
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -11.851
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: 198
Temperature: 1.100000
Total energy: -189.160008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.160008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.592101 (E_RNA)
where:
Base-Base interactions energy: -123.800
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.031
local terms energy: -65.761719
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -190.800272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.800272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.823721 (E_RNA)
where:
Base-Base interactions energy: -128.654
where: short stacking energy: -74.999
Base-Backbone interact. energy: -0.629
local terms energy: -61.541033
where:
bonds (distance) C4'-P energy: -6.146
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -18.263
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: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -188.719608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.719608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.018621 (E_RNA)
where:
Base-Base interactions energy: -126.128
where: short stacking energy: -70.824
Base-Backbone interact. energy: -0.314
local terms energy: -62.576392
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -17.422
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: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -158.601595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.601595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.625686 (E_RNA)
where:
Base-Base interactions energy: -105.072
where: short stacking energy: -48.605
Base-Backbone interact. energy: 1.212
local terms energy: -54.766269
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -9.745
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: 198
Temperature: 1.300000
Total energy: -157.013407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.013407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.484609 (E_RNA)
where:
Base-Base interactions energy: -90.509
where: short stacking energy: -56.162
Base-Backbone interact. energy: -0.059
local terms energy: -66.916116
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -147.350194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.350194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.350194 (E_RNA)
where:
Base-Base interactions energy: -96.082
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.414
local terms energy: -50.854144
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -8.866
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: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -240.684287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.684287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.684287 (E_RNA)
where:
Base-Base interactions energy: -154.200
where: short stacking energy: -85.011
Base-Backbone interact. energy: -0.058
local terms energy: -86.426296
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -24.128
Dist. restrs. and SS energy: 0.000 (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: 199
Temperature: 0.950000
Total energy: -233.791560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.791560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.821867 (E_RNA)
where:
Base-Base interactions energy: -147.143
where: short stacking energy: -84.979
Base-Backbone interact. energy: -0.000
local terms energy: -86.678318
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -22.869
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: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -208.198819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.198819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.237534 (E_RNA)
where:
Base-Base interactions energy: -129.911
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.809
local terms energy: -77.517861
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -19.397
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -17.189
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: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -197.416567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.416567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.585100 (E_RNA)
where:
Base-Base interactions energy: -125.959
where: short stacking energy: -64.453
Base-Backbone interact. energy: -0.175
local terms energy: -71.450867
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -14.503
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: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -193.009409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.009409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.724958 (E_RNA)
where:
Base-Base interactions energy: -127.934
where: short stacking energy: -69.909
Base-Backbone interact. energy: -0.503
local terms energy: -65.287724
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -204.172641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.172641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.969277 (E_RNA)
where:
Base-Base interactions energy: -124.590
where: short stacking energy: -57.497
Base-Backbone interact. energy: -1.980
local terms energy: -78.399920
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.797 (S_DIST_RNA)
chem. 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: -172.505982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.505982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.276586 (E_RNA)
where:
Base-Base interactions energy: -103.653
where: short stacking energy: -60.101
Base-Backbone interact. energy: -0.616
local terms energy: -70.008147
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 1.771 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -148.379958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.379958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.742941 (E_RNA)
where:
Base-Base interactions energy: -92.187
where: short stacking energy: -48.866
Base-Backbone interact. energy: 0.263
local terms energy: -56.819150
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -159.499848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.499848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.668583 (E_RNA)
where:
Base-Base interactions energy: -93.126
where: short stacking energy: -51.529
Base-Backbone interact. energy: -0.001
local terms energy: -66.541546
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -139.904575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.904575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.173325 (E_RNA)
where:
Base-Base interactions energy: -84.410
where: short stacking energy: -46.447
Base-Backbone interact. energy: -0.314
local terms energy: -55.449029
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -11.455
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -240.596901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.596901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.596901 (E_RNA)
where:
Base-Base interactions energy: -156.880
where: short stacking energy: -81.726
Base-Backbone interact. energy: -0.728
local terms energy: -82.989074
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -21.643
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: 2, replica: 2
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -240.375602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.375602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.563225 (E_RNA)
where:
Base-Base interactions energy: -157.109
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.307
local terms energy: -83.147203
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -22.251
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: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -197.738288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.738288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.800113 (E_RNA)
where:
Base-Base interactions energy: -125.094
where: short stacking energy: -62.690
Base-Backbone interact. energy: 0.050
local terms energy: -72.755597
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -16.471
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: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -194.146219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.146219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.614203 (E_RNA)
where:
Base-Base interactions energy: -124.663
where: short stacking energy: -68.560
Base-Backbone interact. energy: -0.055
local terms energy: -69.896177
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.468 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -191.743011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.743011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.162727 (E_RNA)
where:
Base-Base interactions energy: -126.057
where: short stacking energy: -70.224
Base-Backbone interact. energy: 0.232
local terms energy: -66.337768
where:
bonds (distance) C4'-P energy: -7.193
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -162.362989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.362989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.538890 (E_RNA)
where:
Base-Base interactions energy: -102.303
where: short stacking energy: -53.388
Base-Backbone interact. energy: -0.376
local terms energy: -59.859101
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -9.714
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: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -169.682151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.682151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.820858 (E_RNA)
where:
Base-Base interactions energy: -100.318
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.237
local terms energy: -69.265240
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -16.690
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: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -158.160490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.160490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.343110 (E_RNA)
where:
Base-Base interactions energy: -94.440
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.048
local terms energy: -63.854610
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -153.626671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.626671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.830387 (E_RNA)
where:
Base-Base interactions energy: -86.066
where: short stacking energy: -51.957
Base-Backbone interact. energy: 0.460
local terms energy: -68.223830
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -146.062283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.062283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.252893 (E_RNA)
where:
Base-Base interactions energy: -89.168
where: short stacking energy: -50.384
Base-Backbone interact. energy: -0.433
local terms energy: -56.652286
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -10.804
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: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -234.647700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.647700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.045230 (E_RNA)
where:
Base-Base interactions energy: -154.733
where: short stacking energy: -76.567
Base-Backbone interact. energy: -0.280
local terms energy: -80.032798
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -22.843
Dist. restrs. and SS energy: 0.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -233.758867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.758867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.758867 (E_RNA)
where:
Base-Base interactions energy: -153.099
where: short stacking energy: -79.911
Base-Backbone interact. energy: -0.002
local terms energy: -80.657741
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (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: 201
Temperature: 1.000000
Total energy: -202.398500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.398500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.564028 (E_RNA)
where:
Base-Base interactions energy: -129.959
where: short stacking energy: -57.477
Base-Backbone interact. energy: -0.178
local terms energy: -74.426464
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 2.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -191.024940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.024940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.149974 (E_RNA)
where:
Base-Base interactions energy: -123.637
where: short stacking energy: -72.984
Base-Backbone interact. energy: -0.016
local terms energy: -68.496755
where:
bonds (distance) C4'-P energy: -12.992
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 1.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -182.129527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.129527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.129527 (E_RNA)
where:
Base-Base interactions energy: -121.343
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.312
local terms energy: -60.474022
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -12.830
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: 6, replica: 8
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -171.243778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.243778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.384997 (E_RNA)
where:
Base-Base interactions energy: -108.881
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.349
local terms energy: -62.155094
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -12.361
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: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -169.672955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.672955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.765779 (E_RNA)
where:
Base-Base interactions energy: -108.339
where: short stacking energy: -59.481
Base-Backbone interact. energy: 0.458
local terms energy: -61.884373
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -13.045
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -164.777866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.777866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.816854 (E_RNA)
where:
Base-Base interactions energy: -101.638
where: short stacking energy: -59.173
Base-Backbone interact. energy: -0.060
local terms energy: -63.118335
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -11.377
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: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -155.163859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.163859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.386569 (E_RNA)
where:
Base-Base interactions energy: -102.228
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.100
local terms energy: -53.058282
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -7.679
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -154.279958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.279958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.424184 (E_RNA)
where:
Base-Base interactions energy: -95.101
where: short stacking energy: -54.846
Base-Backbone interact. energy: -0.761
local terms energy: -58.562855
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -8.641
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: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -242.194209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.194209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.273198 (E_RNA)
where:
Base-Base interactions energy: -154.645
where: short stacking energy: -83.751
Base-Backbone interact. energy: -0.007
local terms energy: -87.621210
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -21.349
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: 6
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -236.892300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.892300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.761301 (E_RNA)
where:
Base-Base interactions energy: -150.933
where: short stacking energy: -80.954
Base-Backbone interact. energy: -1.252
local terms energy: -85.576019
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -23.679
Dist. restrs. and SS energy: 0.869 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -208.456763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.456763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.033237 (E_RNA)
where:
Base-Base interactions energy: -125.395
where: short stacking energy: -72.511
Base-Backbone interact. energy: -0.076
local terms energy: -83.562087
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -197.267005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.267005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.163871 (E_RNA)
where:
Base-Base interactions energy: -125.600
where: short stacking energy: -57.448
Base-Backbone interact. energy: -0.328
local terms energy: -72.235331
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 0.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -203.997736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.997736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.062677 (E_RNA)
where:
Base-Base interactions energy: -127.540
where: short stacking energy: -75.573
Base-Backbone interact. energy: -0.575
local terms energy: -75.947400
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -190.437107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.437107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.224061 (E_RNA)
where:
Base-Base interactions energy: -137.085
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.461
local terms energy: -53.678109
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -11.863
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -156.910973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.910973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.930901 (E_RNA)
where:
Base-Base interactions energy: -95.748
where: short stacking energy: -50.963
Base-Backbone interact. energy: -0.098
local terms energy: -61.084998
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -5.619
tors. eta vs tors. theta energy: -11.859
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: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -164.761747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.761747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.808997 (E_RNA)
where:
Base-Base interactions energy: -100.144
where: short stacking energy: -57.262
Base-Backbone interact. energy: -1.588
local terms energy: -63.076113
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -11.876
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: 202
Temperature: 1.300000
Total energy: -151.557932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.557932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.596165 (E_RNA)
where:
Base-Base interactions energy: -102.230
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.680
local terms energy: -48.686765
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -7.488
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: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -146.396680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.396680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.498492 (E_RNA)
where:
Base-Base interactions energy: -84.501
where: short stacking energy: -49.165
Base-Backbone interact. energy: -0.064
local terms energy: -61.933332
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -12.687
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: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -244.237104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.237104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.285777 (E_RNA)
where:
Base-Base interactions energy: -164.359
where: short stacking energy: -91.745
Base-Backbone interact. energy: -0.002
local terms energy: -79.925485
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -21.551
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: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -204.851666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.851666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.480410 (E_RNA)
where:
Base-Base interactions energy: -126.120
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.939
local terms energy: -79.421624
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 1.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -221.565172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.565172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.459521 (E_RNA)
where:
Base-Base interactions energy: -141.157
where: short stacking energy: -76.267
Base-Backbone interact. energy: -0.020
local terms energy: -81.282274
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -230.701842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.701842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.701842 (E_RNA)
where:
Base-Base interactions energy: -143.662
where: short stacking energy: -76.574
Base-Backbone interact. energy: -0.055
local terms energy: -86.983942
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -23.290
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: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -177.753944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.753944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.941559 (E_RNA)
where:
Base-Base interactions energy: -111.562
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.369
local terms energy: -66.011427
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -11.470
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: 4
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -191.443669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.443669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.184118 (E_RNA)
where:
Base-Base interactions energy: -127.225
where: short stacking energy: -57.745
Base-Backbone interact. energy: -0.738
local terms energy: -64.221084
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -176.957708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.957708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.978064 (E_RNA)
where:
Base-Base interactions energy: -108.663
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.400
local terms energy: -67.915153
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -12.625
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: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -179.232427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.232427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.956964 (E_RNA)
where:
Base-Base interactions energy: -112.069
where: short stacking energy: -53.828
Base-Backbone interact. energy: -0.969
local terms energy: -66.919183
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -11.686
Dist. restrs. and SS energy: 0.725 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -159.298003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.298003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.375876 (E_RNA)
where:
Base-Base interactions energy: -96.598
where: short stacking energy: -50.142
Base-Backbone interact. energy: -0.984
local terms energy: -61.793867
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -11.157
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: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -143.471949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.471949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.542960 (E_RNA)
where:
Base-Base interactions energy: -90.319
where: short stacking energy: -50.125
Base-Backbone interact. energy: -0.182
local terms energy: -53.042363
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -8.340
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: 204
Temperature: 0.900000
Total energy: -235.953191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.953191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.953191 (E_RNA)
where:
Base-Base interactions energy: -159.520
where: short stacking energy: -75.264
Base-Backbone interact. energy: -0.335
local terms energy: -76.098613
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -18.405
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: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -201.827102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.827102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.858720 (E_RNA)
where:
Base-Base interactions energy: -127.533
where: short stacking energy: -78.371
Base-Backbone interact. energy: -0.046
local terms energy: -74.279939
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -16.567
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: 204
Temperature: 1.000000
Total energy: -223.627182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.627182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.274361 (E_RNA)
where:
Base-Base interactions energy: -145.083
where: short stacking energy: -80.288
Base-Backbone interact. energy: -0.058
local terms energy: -80.133098
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 1.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -214.865540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.865540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.118503 (E_RNA)
where:
Base-Base interactions energy: -140.698
where: short stacking energy: -70.303
Base-Backbone interact. energy: -0.143
local terms energy: -75.277515
where:
bonds (distance) C4'-P energy: -18.118
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 1.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -183.143053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.143053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.846446 (E_RNA)
where:
Base-Base interactions energy: -115.201
where: short stacking energy: -66.698
Base-Backbone interact. energy: -0.006
local terms energy: -69.639553
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.281
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -15.201
Dist. restrs. and SS energy: 1.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -176.990442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.990442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.165214 (E_RNA)
where:
Base-Base interactions energy: -112.274
where: short stacking energy: -64.299
Base-Backbone interact. energy: -1.020
local terms energy: -63.870526
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -11.577
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: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -181.276334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.276334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.719749 (E_RNA)
where:
Base-Base interactions energy: -113.232
where: short stacking energy: -62.473
Base-Backbone interact. energy: -0.048
local terms energy: -68.439045
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -164.651578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.651578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.706052 (E_RNA)
where:
Base-Base interactions energy: -95.743
where: short stacking energy: -55.060
Base-Backbone interact. energy: -0.152
local terms energy: -68.811727
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -15.400
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -8.390
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: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -149.337930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.337930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.795283 (E_RNA)
where:
Base-Base interactions energy: -97.359
where: short stacking energy: -52.238
Base-Backbone interact. energy: -0.283
local terms energy: -52.153477
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -9.769
Dist. restrs. and SS energy: 0.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -141.790868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.790868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.976843 (E_RNA)
where:
Base-Base interactions energy: -88.183
where: short stacking energy: -53.763
Base-Backbone interact. energy: 1.428
local terms energy: -55.222367
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -10.571
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: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -222.059707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.059707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.951435 (E_RNA)
where:
Base-Base interactions energy: -141.316
where: short stacking energy: -79.332
Base-Backbone interact. energy: -0.122
local terms energy: -82.513363
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -18.443
Dist. restrs. and SS energy: 1.892 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -216.789225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.789225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.477012 (E_RNA)
where:
Base-Base interactions energy: -136.371
where: short stacking energy: -68.714
Base-Backbone interact. energy: -0.110
local terms energy: -80.996320
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.688 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -211.858600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.858600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.888763 (E_RNA)
where:
Base-Base interactions energy: -141.485
where: short stacking energy: -82.068
Base-Backbone interact. energy: -0.066
local terms energy: -70.337314
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -17.997
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: 205
Temperature: 1.050000
Total energy: -199.481394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.481394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.297117 (E_RNA)
where:
Base-Base interactions energy: -122.229
where: short stacking energy: -71.628
Base-Backbone interact. energy: -0.423
local terms energy: -77.645049
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -183.664593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.664593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.743115 (E_RNA)
where:
Base-Base interactions energy: -112.808
where: short stacking energy: -66.007
Base-Backbone interact. energy: -0.001
local terms energy: -70.933977
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -11.502
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -14.310
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: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -191.787707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.787707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.097891 (E_RNA)
where:
Base-Base interactions energy: -120.029
where: short stacking energy: -70.858
Base-Backbone interact. energy: -0.008
local terms energy: -72.060940
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -167.718621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.718621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.872416 (E_RNA)
where:
Base-Base interactions energy: -115.554
where: short stacking energy: -56.964
Base-Backbone interact. energy: 0.631
local terms energy: -52.949606
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -3.416
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -168.345930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.345930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.660140 (E_RNA)
where:
Base-Base interactions energy: -99.320
where: short stacking energy: -58.711
Base-Backbone interact. energy: -0.134
local terms energy: -69.207003
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -10.525
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: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -157.027047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.027047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.447780 (E_RNA)
where:
Base-Base interactions energy: -95.135
where: short stacking energy: -57.935
Base-Backbone interact. energy: 1.952
local terms energy: -64.265071
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -12.063
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -151.413179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.413179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.561867 (E_RNA)
where:
Base-Base interactions energy: -86.317
where: short stacking energy: -52.529
Base-Backbone interact. energy: -0.179
local terms energy: -65.065796
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -8.171
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: 206
Temperature: 0.900000
Total energy: -231.631076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.631076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.678464 (E_RNA)
where:
Base-Base interactions energy: -150.453
where: short stacking energy: -76.938
Base-Backbone interact. energy: -0.282
local terms energy: -80.942984
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -22.109
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: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -207.255428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.255428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.058414 (E_RNA)
where:
Base-Base interactions energy: -133.339
where: short stacking energy: -72.787
Base-Backbone interact. energy: -0.030
local terms energy: -74.688763
where:
bonds (distance) C4'-P energy: -10.151
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -201.549234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.549234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.577810 (E_RNA)
where:
Base-Base interactions energy: -131.073
where: short stacking energy: -76.955
Base-Backbone interact. energy: -0.068
local terms energy: -70.437407
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -16.275
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: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -218.345456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.345456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.955003 (E_RNA)
where:
Base-Base interactions energy: -148.426
where: short stacking energy: -73.600
Base-Backbone interact. energy: -0.138
local terms energy: -70.391488
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -181.364836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.364836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.405372 (E_RNA)
where:
Base-Base interactions energy: -119.564
where: short stacking energy: -64.302
Base-Backbone interact. energy: -0.477
local terms energy: -61.363535
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -15.039
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: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -169.625916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.625916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.666498 (E_RNA)
where:
Base-Base interactions energy: -104.569
where: short stacking energy: -50.791
Base-Backbone interact. energy: -0.464
local terms energy: -64.633864
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -7.720
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: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -181.544323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.544323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.544323 (E_RNA)
where:
Base-Base interactions energy: -115.508
where: short stacking energy: -57.117
Base-Backbone interact. energy: -0.047
local terms energy: -65.989953
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -17.091
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: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -161.628936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.628936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.742512 (E_RNA)
where:
Base-Base interactions energy: -93.958
where: short stacking energy: -54.633
Base-Backbone interact. energy: -0.466
local terms energy: -67.319028
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -12.249
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: 206
Temperature: 1.300000
Total energy: -172.685954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.685954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.104499 (E_RNA)
where:
Base-Base interactions energy: -97.181
where: short stacking energy: -60.772
Base-Backbone interact. energy: 0.215
local terms energy: -76.138881
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -14.038
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: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -151.707653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.707653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.001861 (E_RNA)
where:
Base-Base interactions energy: -94.639
where: short stacking energy: -64.209
Base-Backbone interact. energy: -0.344
local terms energy: -57.019276
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -8.876
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -241.395707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.395707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.481672 (E_RNA)
where:
Base-Base interactions energy: -151.578
where: short stacking energy: -83.543
Base-Backbone interact. energy: -0.305
local terms energy: -89.598782
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -24.470
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: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -225.958073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.958073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.769897 (E_RNA)
where:
Base-Base interactions energy: -148.064
where: short stacking energy: -76.046
Base-Backbone interact. energy: -0.761
local terms energy: -77.945457
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -215.177842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.177842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.239026 (E_RNA)
where:
Base-Base interactions energy: -134.488
where: short stacking energy: -82.841
Base-Backbone interact. energy: -0.012
local terms energy: -80.738659
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -20.813
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: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -180.551416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.551416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.600487 (E_RNA)
where:
Base-Base interactions energy: -104.741
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.459
local terms energy: -75.399898
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -14.069
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: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -205.419408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.419408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.636636 (E_RNA)
where:
Base-Base interactions energy: -133.263
where: short stacking energy: -76.141
Base-Backbone interact. energy: -0.003
local terms energy: -72.371194
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -170.218032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.218032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.565897 (E_RNA)
where:
Base-Base interactions energy: -101.613
where: short stacking energy: -62.229
Base-Backbone interact. energy: -2.661
local terms energy: -66.291327
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -171.035000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.035000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.050191 (E_RNA)
where:
Base-Base interactions energy: -105.443
where: short stacking energy: -64.417
Base-Backbone interact. energy: -0.185
local terms energy: -65.422125
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -18.156
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: 207
Temperature: 1.250000
Total energy: -154.612586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.612586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.691837 (E_RNA)
where:
Base-Base interactions energy: -97.137
where: short stacking energy: -47.026
Base-Backbone interact. energy: 0.668
local terms energy: -58.222587
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -9.776
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: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -153.794290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.794290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.607662 (E_RNA)
where:
Base-Base interactions energy: -89.870
where: short stacking energy: -45.676
Base-Backbone interact. energy: -0.049
local terms energy: -64.688578
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -148.073358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.073358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.524001 (E_RNA)
where:
Base-Base interactions energy: -95.320
where: short stacking energy: -50.046
Base-Backbone interact. energy: -0.559
local terms energy: -53.645286
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -9.509
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 1.451 (S_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: -224.357584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.357584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.357584 (E_RNA)
where:
Base-Base interactions energy: -147.293
where: short stacking energy: -78.214
Base-Backbone interact. energy: -0.471
local terms energy: -76.593374
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -20.738
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: 2, replica: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -237.882004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.882004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.709166 (E_RNA)
where:
Base-Base interactions energy: -156.870
where: short stacking energy: -82.190
Base-Backbone interact. energy: -0.011
local terms energy: -82.828509
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 1.827 (S_DIST_RNA)
chem. 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: -213.420123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.420123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.426737 (E_RNA)
where:
Base-Base interactions energy: -130.263
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.757
local terms energy: -82.405778
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -20.551
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: 208
Temperature: 1.050000
Total energy: -185.318343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.318343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.318343 (E_RNA)
where:
Base-Base interactions energy: -114.295
where: short stacking energy: -68.423
Base-Backbone interact. energy: -0.262
local terms energy: -70.761198
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: -0.000 (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: 208
Temperature: 1.100000
Total energy: -186.205594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.205594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.459009 (E_RNA)
where:
Base-Base interactions energy: -120.071
where: short stacking energy: -60.664
Base-Backbone interact. energy: -1.011
local terms energy: -65.376672
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -16.948
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: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -174.794862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.794862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.449324 (E_RNA)
where:
Base-Base interactions energy: -111.798
where: short stacking energy: -52.850
Base-Backbone interact. energy: -0.390
local terms energy: -64.261231
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 1.654 (S_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: 208
Temperature: 1.200000
Total energy: -167.497356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.497356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.611198 (E_RNA)
where:
Base-Base interactions energy: -104.414
where: short stacking energy: -59.678
Base-Backbone interact. energy: -0.847
local terms energy: -62.350637
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -13.309
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: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -164.602418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.602418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.687141 (E_RNA)
where:
Base-Base interactions energy: -105.626
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.176
local terms energy: -58.884805
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -8.868
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -167.285332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.285332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.645142 (E_RNA)
where:
Base-Base interactions energy: -115.772
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.041
local terms energy: -51.831591
where:
bonds (distance) C4'-P energy: -5.462
bonds (distance) P-C4' energy: -8.476
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -158.882782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.882782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.485831 (E_RNA)
where:
Base-Base interactions energy: -98.871
where: short stacking energy: -58.625
Base-Backbone interact. energy: -0.209
local terms energy: -60.405542
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -11.425
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -239.598940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.598940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.374806 (E_RNA)
where:
Base-Base interactions energy: -150.062
where: short stacking energy: -84.111
Base-Backbone interact. energy: -1.720
local terms energy: -88.592321
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -24.924
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -231.631107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.631107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.823426 (E_RNA)
where:
Base-Base interactions energy: -157.658
where: short stacking energy: -85.735
Base-Backbone interact. energy: -0.772
local terms energy: -73.393180
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -23.318
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: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -237.785536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.785536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.801955 (E_RNA)
where:
Base-Base interactions energy: -150.796
where: short stacking energy: -84.316
Base-Backbone interact. energy: -0.001
local terms energy: -87.004846
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -22.647
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: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -182.651685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.651685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.651685 (E_RNA)
where:
Base-Base interactions energy: -108.933
where: short stacking energy: -61.274
Base-Backbone interact. energy: -1.986
local terms energy: -71.732479
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -14.805
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: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -182.779008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.779008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.843137 (E_RNA)
where:
Base-Base interactions energy: -113.272
where: short stacking energy: -71.037
Base-Backbone interact. energy: 0.297
local terms energy: -69.867544
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -16.931
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: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -168.785411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.785411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.934874 (E_RNA)
where:
Base-Base interactions energy: -100.309
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.035
local terms energy: -68.590659
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -168.980209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.980209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.037921 (E_RNA)
where:
Base-Base interactions energy: -107.081
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.630
local terms energy: -61.326293
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -9.383
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: 209
Temperature: 1.250000
Total energy: -176.030516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.030516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.159946 (E_RNA)
where:
Base-Base interactions energy: -99.492
where: short stacking energy: -58.360
Base-Backbone interact. energy: -0.101
local terms energy: -76.566464
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -14.211
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: 209
Temperature: 1.300000
Total energy: -167.314785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.314785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.758855 (E_RNA)
where:
Base-Base interactions energy: -93.561
where: short stacking energy: -47.437
Base-Backbone interact. energy: -0.232
local terms energy: -74.965694
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -14.354
Dist. restrs. and SS energy: 1.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -144.576842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.576842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.587507 (E_RNA)
where:
Base-Base interactions energy: -87.493
where: short stacking energy: -46.074
Base-Backbone interact. energy: 0.338
local terms energy: -57.432223
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -6.588
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: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -237.512814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.512814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.043591 (E_RNA)
where:
Base-Base interactions energy: -159.838
where: short stacking energy: -83.316
Base-Backbone interact. energy: -0.149
local terms energy: -79.057208
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 1.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -240.704377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.704377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.749010 (E_RNA)
where:
Base-Base interactions energy: -156.674
where: short stacking energy: -86.902
Base-Backbone interact. energy: -0.012
local terms energy: -84.062842
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -26.066
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: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -231.684984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.684984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.692149 (E_RNA)
where:
Base-Base interactions energy: -151.453
where: short stacking energy: -87.138
Base-Backbone interact. energy: -0.223
local terms energy: -80.016682
where:
bonds (distance) C4'-P energy: -13.334
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -24.958
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: 210
Temperature: 1.050000
Total energy: -187.503768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.503768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.615404 (E_RNA)
where:
Base-Base interactions energy: -114.883
where: short stacking energy: -68.724
Base-Backbone interact. energy: -0.800
local terms energy: -71.932483
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -14.186
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: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -189.114313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.114313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.134918 (E_RNA)
where:
Base-Base interactions energy: -116.297
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.121
local terms energy: -72.716601
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -18.871
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: 210
Temperature: 1.150000
Total energy: -166.099908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.099908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.278671 (E_RNA)
where:
Base-Base interactions energy: -99.994
where: short stacking energy: -60.593
Base-Backbone interact. energy: -0.228
local terms energy: -66.056677
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -10.245
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: 210
Temperature: 1.200000
Total energy: -169.549506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.549506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.592199 (E_RNA)
where:
Base-Base interactions energy: -103.620
where: short stacking energy: -56.860
Base-Backbone interact. energy: 0.528
local terms energy: -66.499346
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -15.030
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: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -158.536802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.536802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.907145 (E_RNA)
where:
Base-Base interactions energy: -101.045
where: short stacking energy: -58.620
Base-Backbone interact. energy: -0.100
local terms energy: -57.761574
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.370 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -157.528112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.528112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.549076 (E_RNA)
where:
Base-Base interactions energy: -95.566
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.074
local terms energy: -61.908784
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -11.031
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: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -133.269224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.269224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.475601 (E_RNA)
where:
Base-Base interactions energy: -75.756
where: short stacking energy: -41.537
Base-Backbone interact. energy: 4.095
local terms energy: -61.815292
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -4.041
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: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -240.626258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.626258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.215414 (E_RNA)
where:
Base-Base interactions energy: -160.129
where: short stacking energy: -82.532
Base-Backbone interact. energy: 0.122
local terms energy: -82.208527
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 1.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -237.523145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.523145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.558337 (E_RNA)
where:
Base-Base interactions energy: -154.237
where: short stacking energy: -83.543
Base-Backbone interact. energy: -0.018
local terms energy: -83.303303
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -20.111
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: 211
Temperature: 1.000000
Total energy: -223.875476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.875476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.604437 (E_RNA)
where:
Base-Base interactions energy: -143.541
where: short stacking energy: -75.923
Base-Backbone interact. energy: -0.264
local terms energy: -81.799543
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 1.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -191.794754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.794754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.794754 (E_RNA)
where:
Base-Base interactions energy: -119.908
where: short stacking energy: -71.315
Base-Backbone interact. energy: -0.370
local terms energy: -71.516869
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: -0.000 (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: 211
Temperature: 1.100000
Total energy: -190.068467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.068467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.264634 (E_RNA)
where:
Base-Base interactions energy: -127.934
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.096
local terms energy: -62.234375
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -162.949130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.949130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.990894 (E_RNA)
where:
Base-Base interactions energy: -94.568
where: short stacking energy: -58.924
Base-Backbone interact. energy: -0.255
local terms energy: -68.168195
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -14.022
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: 4
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -157.672218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.672218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.726851 (E_RNA)
where:
Base-Base interactions energy: -97.414
where: short stacking energy: -55.743
Base-Backbone interact. energy: -0.106
local terms energy: -60.206846
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -8.290
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: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -171.677161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.677161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.682272 (E_RNA)
where:
Base-Base interactions energy: -105.360
where: short stacking energy: -43.533
Base-Backbone interact. energy: -0.524
local terms energy: -65.798671
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -8.629
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: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -159.258364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.258364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.303742 (E_RNA)
where:
Base-Base interactions energy: -97.291
where: short stacking energy: -54.361
Base-Backbone interact. energy: -0.030
local terms energy: -61.982273
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -10.729
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: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -146.142052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.142052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.185732 (E_RNA)
where:
Base-Base interactions energy: -94.679
where: short stacking energy: -51.241
Base-Backbone interact. energy: -0.082
local terms energy: -51.424477
where:
bonds (distance) C4'-P energy: -7.945
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -8.462
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: 212
Temperature: 0.900000
Total energy: -243.420257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.420257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.097546 (E_RNA)
where:
Base-Base interactions energy: -156.772
where: short stacking energy: -83.558
Base-Backbone interact. energy: -1.076
local terms energy: -86.249902
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -235.560293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.560293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.906966 (E_RNA)
where:
Base-Base interactions energy: -161.349
where: short stacking energy: -82.416
Base-Backbone interact. energy: -0.001
local terms energy: -74.556933
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -227.726475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.726475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.726475 (E_RNA)
where:
Base-Base interactions energy: -145.144
where: short stacking energy: -79.610
Base-Backbone interact. energy: -0.102
local terms energy: -82.480552
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (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: 212
Temperature: 1.050000
Total energy: -184.457914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.457914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.518622 (E_RNA)
where:
Base-Base interactions energy: -115.151
where: short stacking energy: -74.101
Base-Backbone interact. energy: -0.063
local terms energy: -69.305230
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -6.354
tors. eta vs tors. theta energy: -18.480
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: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -185.072229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.072229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.081523 (E_RNA)
where:
Base-Base interactions energy: -117.283
where: short stacking energy: -63.213
Base-Backbone interact. energy: 0.054
local terms energy: -67.852666
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -17.361
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: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -182.569831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.569831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.695348 (E_RNA)
where:
Base-Base interactions energy: -106.792
where: short stacking energy: -67.774
Base-Backbone interact. energy: 2.683
local terms energy: -78.585899
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -18.566
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: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -168.195296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.195296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.254534 (E_RNA)
where:
Base-Base interactions energy: -99.176
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.006
local terms energy: -69.072248
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -12.299
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: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -157.078943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.078943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.118556 (E_RNA)
where:
Base-Base interactions energy: -92.356
where: short stacking energy: -50.053
Base-Backbone interact. energy: -0.963
local terms energy: -63.798704
where:
bonds (distance) C4'-P energy: -8.961
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -13.550
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: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -150.051570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.051570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.182036 (E_RNA)
where:
Base-Base interactions energy: -93.424
where: short stacking energy: -54.690
Base-Backbone interact. energy: -0.260
local terms energy: -56.497849
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -7.008
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: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -144.650042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.650042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.535544 (E_RNA)
where:
Base-Base interactions energy: -91.079
where: short stacking energy: -46.314
Base-Backbone interact. energy: 0.895
local terms energy: -55.351692
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -238.285328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.285328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.350866 (E_RNA)
where:
Base-Base interactions energy: -153.888
where: short stacking energy: -85.727
Base-Backbone interact. energy: -0.138
local terms energy: -84.325088
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -23.333
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: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -238.747482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.747482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.023872 (E_RNA)
where:
Base-Base interactions energy: -153.479
where: short stacking energy: -85.685
Base-Backbone interact. energy: 0.076
local terms energy: -85.620133
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -22.420
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -229.679316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.679316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.887101 (E_RNA)
where:
Base-Base interactions energy: -151.708
where: short stacking energy: -87.668
Base-Backbone interact. energy: -0.003
local terms energy: -78.176245
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -22.276
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: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -192.273924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.273924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.399661 (E_RNA)
where:
Base-Base interactions energy: -115.999
where: short stacking energy: -76.576
Base-Backbone interact. energy: -0.007
local terms energy: -76.393918
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -180.312336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.312336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.382043 (E_RNA)
where:
Base-Base interactions energy: -112.223
where: short stacking energy: -72.025
Base-Backbone interact. energy: -0.578
local terms energy: -67.580341
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -13.582
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: 213
Temperature: 1.150000
Total energy: -178.672756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.672756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.672756 (E_RNA)
where:
Base-Base interactions energy: -112.384
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.001
local terms energy: -66.288564
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (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: 213
Temperature: 1.200000
Total energy: -174.739647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.739647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.927190 (E_RNA)
where:
Base-Base interactions energy: -101.041
where: short stacking energy: -59.540
Base-Backbone interact. energy: -0.599
local terms energy: -73.287404
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -18.245
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: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -149.516851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.516851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.617220 (E_RNA)
where:
Base-Base interactions energy: -94.911
where: short stacking energy: -50.140
Base-Backbone interact. energy: -0.812
local terms energy: -53.893975
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -7.741
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: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -154.628967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.628967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.640972 (E_RNA)
where:
Base-Base interactions energy: -94.903
where: short stacking energy: -50.736
Base-Backbone interact. energy: -0.103
local terms energy: -59.634825
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -11.272
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: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -138.812513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.812513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.889332 (E_RNA)
where:
Base-Base interactions energy: -89.938
where: short stacking energy: -48.302
Base-Backbone interact. energy: -1.007
local terms energy: -47.944344
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -7.336
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -3.746
tors. eta vs tors. theta energy: -6.043
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: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -240.067037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.067037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.569411 (E_RNA)
where:
Base-Base interactions energy: -155.467
where: short stacking energy: -79.434
Base-Backbone interact. energy: -0.040
local terms energy: -85.062902
where:
bonds (distance) C4'-P energy: -18.680
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -23.162
Dist. restrs. and SS energy: 0.502 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -240.243697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.243697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.519192 (E_RNA)
where:
Base-Base interactions energy: -159.032
where: short stacking energy: -86.176
Base-Backbone interact. energy: -0.001
local terms energy: -81.486524
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -234.260132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.260132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.260132 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -81.796
Base-Backbone interact. energy: -0.057
local terms energy: -83.155518
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -20.689
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: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -196.241561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.241561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.579585 (E_RNA)
where:
Base-Base interactions energy: -128.151
where: short stacking energy: -73.694
Base-Backbone interact. energy: -0.001
local terms energy: -68.427370
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -172.811673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.811673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.915800 (E_RNA)
where:
Base-Base interactions energy: -108.572
where: short stacking energy: -70.209
Base-Backbone interact. energy: -0.711
local terms energy: -63.631908
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -11.745
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: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -179.461725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.461725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.277580 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -63.241
Base-Backbone interact. energy: -0.052
local terms energy: -68.620615
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -180.109349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.109349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.238954 (E_RNA)
where:
Base-Base interactions energy: -114.725
where: short stacking energy: -56.980
Base-Backbone interact. energy: -0.670
local terms energy: -64.844068
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -15.056
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: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -169.291995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.291995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.377605 (E_RNA)
where:
Base-Base interactions energy: -107.761
where: short stacking energy: -64.174
Base-Backbone interact. energy: -1.274
local terms energy: -60.343017
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -16.922
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: 214
Temperature: 1.300000
Total energy: -167.631885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.631885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.716852 (E_RNA)
where:
Base-Base interactions energy: -107.944
where: short stacking energy: -49.568
Base-Backbone interact. energy: -0.498
local terms energy: -59.274345
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -10.888
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: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -144.781687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.781687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.792984 (E_RNA)
where:
Base-Base interactions energy: -91.395
where: short stacking energy: -47.936
Base-Backbone interact. energy: -0.755
local terms energy: -52.643215
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -8.396
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: 215
Temperature: 0.900000
Total energy: -230.721715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.721715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.868044 (E_RNA)
where:
Base-Base interactions energy: -148.957
where: short stacking energy: -73.810
Base-Backbone interact. energy: -0.001
local terms energy: -82.909281
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 1.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -229.860248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.860248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.278945 (E_RNA)
where:
Base-Base interactions energy: -148.276
where: short stacking energy: -72.576
Base-Backbone interact. energy: -0.000
local terms energy: -83.002923
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -225.356833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.356833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.053102 (E_RNA)
where:
Base-Base interactions energy: -150.644
where: short stacking energy: -80.693
Base-Backbone interact. energy: -0.098
local terms energy: -75.310476
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -189.321244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.321244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.800863 (E_RNA)
where:
Base-Base interactions energy: -115.544
where: short stacking energy: -68.400
Base-Backbone interact. energy: -0.038
local terms energy: -74.218964
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.480 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -200.165368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.165368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.306449 (E_RNA)
where:
Base-Base interactions energy: -124.690
where: short stacking energy: -72.573
Base-Backbone interact. energy: 0.736
local terms energy: -77.352102
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 1.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -188.926961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.926961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.926961 (E_RNA)
where:
Base-Base interactions energy: -115.779
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.116
local terms energy: -73.032060
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -20.791
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: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -187.537132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.537132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.537132 (E_RNA)
where:
Base-Base interactions energy: -121.789
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.085
local terms energy: -65.663151
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -10.120
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -17.045
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: 8, replica: 10
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -174.906817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.906817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.908443 (E_RNA)
where:
Base-Base interactions energy: -106.667
where: short stacking energy: -56.413
Base-Backbone interact. energy: -0.007
local terms energy: -68.234532
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -12.919
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: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -157.103300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.103300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.164668 (E_RNA)
where:
Base-Base interactions energy: -100.305
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.090
local terms energy: -56.768917
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -11.503
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: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -144.951367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.951367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.951367 (E_RNA)
where:
Base-Base interactions energy: -88.572
where: short stacking energy: -46.855
Base-Backbone interact. energy: -0.446
local terms energy: -55.933591
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -7.318
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: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -218.560143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.560143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.826033 (E_RNA)
where:
Base-Base interactions energy: -143.962
where: short stacking energy: -73.602
Base-Backbone interact. energy: -1.668
local terms energy: -74.195829
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 1.266 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -226.536601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.536601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.844410 (E_RNA)
where:
Base-Base interactions energy: -155.563
where: short stacking energy: -86.103
Base-Backbone interact. energy: -0.005
local terms energy: -71.276269
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -11.009
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.308 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -199.260620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.260620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.750822 (E_RNA)
where:
Base-Base interactions energy: -122.626
where: short stacking energy: -66.351
Base-Backbone interact. energy: -0.540
local terms energy: -76.585141
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -219.017986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.017986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.054982 (E_RNA)
where:
Base-Base interactions energy: -152.640
where: short stacking energy: -84.834
Base-Backbone interact. energy: -0.736
local terms energy: -65.678592
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -3.208
tors. eta vs tors. theta energy: -19.210
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: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -211.962562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.962562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.514801 (E_RNA)
where:
Base-Base interactions energy: -140.419
where: short stacking energy: -77.740
Base-Backbone interact. energy: -0.546
local terms energy: -73.549608
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 2.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -197.909328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.909328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.933536 (E_RNA)
where:
Base-Base interactions energy: -123.833
where: short stacking energy: -81.080
Base-Backbone interact. energy: -0.231
local terms energy: -73.870133
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -21.833
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: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -179.107973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.107973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.012142 (E_RNA)
where:
Base-Base interactions energy: -118.029
where: short stacking energy: -57.767
Base-Backbone interact. energy: -0.530
local terms energy: -61.453073
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -9.191
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -167.004382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.004382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.033584 (E_RNA)
where:
Base-Base interactions energy: -112.657
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.032
local terms energy: -54.345088
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -8.142
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -13.854
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: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -148.707284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.707284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.819071 (E_RNA)
where:
Base-Base interactions energy: -80.358
where: short stacking energy: -41.400
Base-Backbone interact. energy: -0.179
local terms energy: -68.282532
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -7.440
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: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -150.991561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.991561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.088317 (E_RNA)
where:
Base-Base interactions energy: -95.096
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.118
local terms energy: -55.873764
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -8.348
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: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -240.747908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.747908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.749719 (E_RNA)
where:
Base-Base interactions energy: -154.432
where: short stacking energy: -79.204
Base-Backbone interact. energy: -0.210
local terms energy: -86.107910
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -23.190
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: 217
Temperature: 0.950000
Total energy: -223.250763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.250763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.014145 (E_RNA)
where:
Base-Base interactions energy: -153.084
where: short stacking energy: -71.981
Base-Backbone interact. energy: -0.003
local terms energy: -70.926820
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -224.359979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.359979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.994608 (E_RNA)
where:
Base-Base interactions energy: -146.294
where: short stacking energy: -82.534
Base-Backbone interact. energy: -0.003
local terms energy: -78.698180
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -20.398
Dist. restrs. and SS energy: 0.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -224.356513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.356513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.472231 (E_RNA)
where:
Base-Base interactions energy: -147.518
where: short stacking energy: -80.613
Base-Backbone interact. energy: -0.179
local terms energy: -78.774658
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 2.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -210.790960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.790960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.900421 (E_RNA)
where:
Base-Base interactions energy: -131.601
where: short stacking energy: -70.106
Base-Backbone interact. energy: -1.088
local terms energy: -78.211500
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -21.270
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: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -171.910207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.910207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.910207 (E_RNA)
where:
Base-Base interactions energy: -104.559
where: short stacking energy: -54.717
Base-Backbone interact. energy: -0.132
local terms energy: -67.218714
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -10.191
Dist. restrs. and SS energy: -0.000 (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: 217
Temperature: 1.200000
Total energy: -166.215430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.215430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.263974 (E_RNA)
where:
Base-Base interactions energy: -96.861
where: short stacking energy: -62.266
Base-Backbone interact. energy: -0.014
local terms energy: -69.388641
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -14.084
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: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -171.428634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.428634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.440064 (E_RNA)
where:
Base-Base interactions energy: -109.468
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.241
local terms energy: -61.730233
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -10.151
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: 217
Temperature: 1.300000
Total energy: -148.771059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.771059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.166640 (E_RNA)
where:
Base-Base interactions energy: -90.924
where: short stacking energy: -49.325
Base-Backbone interact. energy: -0.105
local terms energy: -58.137309
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -4.704
tors. eta vs tors. theta energy: -9.360
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: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -147.214190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.214190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.510577 (E_RNA)
where:
Base-Base interactions energy: -89.224
where: short stacking energy: -53.923
Base-Backbone interact. energy: -0.091
local terms energy: -58.196464
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -11.296
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: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -237.172541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.172541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.420070 (E_RNA)
where:
Base-Base interactions energy: -151.428
where: short stacking energy: -78.678
Base-Backbone interact. energy: -0.215
local terms energy: -85.777967
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -227.411004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.411004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.334888 (E_RNA)
where:
Base-Base interactions energy: -147.161
where: short stacking energy: -82.842
Base-Backbone interact. energy: -0.029
local terms energy: -81.144540
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.924 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -238.645809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.645809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.645809 (E_RNA)
where:
Base-Base interactions energy: -155.011
where: short stacking energy: -78.681
Base-Backbone interact. energy: -0.049
local terms energy: -83.585270
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -20.587
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: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -184.290291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.290291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.414435 (E_RNA)
where:
Base-Base interactions energy: -108.223
where: short stacking energy: -66.151
Base-Backbone interact. energy: -0.264
local terms energy: -75.926864
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -190.207760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.207760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.284227 (E_RNA)
where:
Base-Base interactions energy: -112.025
where: short stacking energy: -71.655
Base-Backbone interact. energy: -0.017
local terms energy: -78.241333
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -16.868
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: 218
Temperature: 1.150000
Total energy: -183.068726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.068726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.233916 (E_RNA)
where:
Base-Base interactions energy: -104.852
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.804
local terms energy: -77.577197
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -15.510
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: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -166.249443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.249443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.263300 (E_RNA)
where:
Base-Base interactions energy: -101.474
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.065
local terms energy: -64.723891
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -11.320
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: 218
Temperature: 1.250000
Total energy: -173.556932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.556932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.630722 (E_RNA)
where:
Base-Base interactions energy: -109.886
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.286
local terms energy: -63.458766
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -12.045
tors. eta vs tors. theta energy: -15.224
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: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -154.445558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.445558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.453810 (E_RNA)
where:
Base-Base interactions energy: -101.761
where: short stacking energy: -50.996
Base-Backbone interact. energy: 0.587
local terms energy: -53.279359
where:
bonds (distance) C4'-P energy: -7.785
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -3.369
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: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -149.107604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.107604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.170609 (E_RNA)
where:
Base-Base interactions energy: -91.469
where: short stacking energy: -51.172
Base-Backbone interact. energy: -0.554
local terms energy: -57.147464
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -12.738
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: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -240.029798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.029798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.964307 (E_RNA)
where:
Base-Base interactions energy: -157.162
where: short stacking energy: -86.337
Base-Backbone interact. energy: -0.022
local terms energy: -83.781014
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -212.529919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.529919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.529919 (E_RNA)
where:
Base-Base interactions energy: -131.047
where: short stacking energy: -78.415
Base-Backbone interact. energy: -0.251
local terms energy: -81.232366
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -18.691
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -21.022
Dist. restrs. and SS energy: 0.000 (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: 219
Temperature: 1.000000
Total energy: -215.847891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.512122 (E_RNA)
where:
Base-Base interactions energy: -145.226
where: short stacking energy: -79.747
Base-Backbone interact. energy: -0.002
local terms energy: -72.284107
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 1.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -200.716879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.716879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.783329 (E_RNA)
where:
Base-Base interactions energy: -125.848
where: short stacking energy: -72.246
Base-Backbone interact. energy: -0.046
local terms energy: -74.889672
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -18.023
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: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -189.934000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.934000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.316734 (E_RNA)
where:
Base-Base interactions energy: -125.342
where: short stacking energy: -64.525
Base-Backbone interact. energy: -0.017
local terms energy: -64.957021
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.383 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -179.557544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.557544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.110041 (E_RNA)
where:
Base-Base interactions energy: -112.395
where: short stacking energy: -68.258
Base-Backbone interact. energy: -0.065
local terms energy: -68.650077
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 1.552 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -167.963289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.963289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.645656 (E_RNA)
where:
Base-Base interactions energy: -100.345
where: short stacking energy: -61.058
Base-Backbone interact. energy: -0.051
local terms energy: -69.249912
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 1.682 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -151.226741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.226741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.313228 (E_RNA)
where:
Base-Base interactions energy: -79.352
where: short stacking energy: -41.453
Base-Backbone interact. energy: 1.615
local terms energy: -73.576790
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -11.744
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: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -166.466862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.466862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.495480 (E_RNA)
where:
Base-Base interactions energy: -98.647
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.760
local terms energy: -67.088780
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -12.717
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: 219
Temperature: 1.350000
Total energy: -157.403152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.403152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.579286 (E_RNA)
where:
Base-Base interactions energy: -101.779
where: short stacking energy: -51.344
Base-Backbone interact. energy: -0.297
local terms energy: -56.503629
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 1.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -240.583560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.583560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.626654 (E_RNA)
where:
Base-Base interactions energy: -152.804
where: short stacking energy: -84.332
Base-Backbone interact. energy: -0.293
local terms energy: -87.529243
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -23.934
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: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -233.722223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.722223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.722223 (E_RNA)
where:
Base-Base interactions energy: -153.257
where: short stacking energy: -83.306
Base-Backbone interact. energy: -0.000
local terms energy: -80.465386
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -20.594
Dist. restrs. and SS energy: 0.000 (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: 220
Temperature: 1.000000
Total energy: -228.978174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.978174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.983907 (E_RNA)
where:
Base-Base interactions energy: -150.969
where: short stacking energy: -79.638
Base-Backbone interact. energy: -0.130
local terms energy: -77.884879
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -20.712
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: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -181.778389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.778389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.120396 (E_RNA)
where:
Base-Base interactions energy: -114.901
where: short stacking energy: -66.161
Base-Backbone interact. energy: -0.010
local terms energy: -67.209198
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -177.619678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.619678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.720969 (E_RNA)
where:
Base-Base interactions energy: -106.817
where: short stacking energy: -61.052
Base-Backbone interact. energy: -0.023
local terms energy: -70.881457
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -15.562
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: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -184.111378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.111378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.614648 (E_RNA)
where:
Base-Base interactions energy: -116.379
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.011
local terms energy: -69.224281
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 1.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -175.469001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.469001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.725714 (E_RNA)
where:
Base-Base interactions energy: -117.996
where: short stacking energy: -58.701
Base-Backbone interact. energy: -0.073
local terms energy: -57.657352
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -9.673
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -163.992136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.992136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.054846 (E_RNA)
where:
Base-Base interactions energy: -103.516
where: short stacking energy: -55.482
Base-Backbone interact. energy: -0.185
local terms energy: -60.354290
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -10.116
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: 220
Temperature: 1.300000
Total energy: -154.842985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.842985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.842985 (E_RNA)
where:
Base-Base interactions energy: -96.849
where: short stacking energy: -52.076
Base-Backbone interact. energy: -0.751
local terms energy: -57.242964
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -8.121
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: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -157.727960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.727960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.896481 (E_RNA)
where:
Base-Base interactions energy: -95.935
where: short stacking energy: -53.343
Base-Backbone interact. energy: -0.132
local terms energy: -61.830389
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -12.001
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: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -229.916891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.916891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.981333 (E_RNA)
where:
Base-Base interactions energy: -150.960
where: short stacking energy: -78.984
Base-Backbone interact. energy: -0.084
local terms energy: -78.937235
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -20.929
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: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -231.059679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.059679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.792792 (E_RNA)
where:
Base-Base interactions energy: -154.896
where: short stacking energy: -82.764
Base-Backbone interact. energy: 0.317
local terms energy: -77.213278
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -225.679938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.679938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.343488 (E_RNA)
where:
Base-Base interactions energy: -154.451
where: short stacking energy: -79.276
Base-Backbone interact. energy: 0.015
local terms energy: -71.906942
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.664 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -188.257492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.257492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.292672 (E_RNA)
where:
Base-Base interactions energy: -113.269
where: short stacking energy: -73.883
Base-Backbone interact. energy: -0.128
local terms energy: -74.895934
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -18.519
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: 221
Temperature: 1.100000
Total energy: -175.746744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.746744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.821944 (E_RNA)
where:
Base-Base interactions energy: -108.031
where: short stacking energy: -56.712
Base-Backbone interact. energy: -1.786
local terms energy: -66.004815
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: -15.610
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: 221
Temperature: 1.150000
Total energy: -185.600329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.600329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.675686 (E_RNA)
where:
Base-Base interactions energy: -116.725
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.038
local terms energy: -68.912166
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -15.524
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: 8
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -173.597864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.597864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.043734 (E_RNA)
where:
Base-Base interactions energy: -110.135
where: short stacking energy: -55.921
Base-Backbone interact. energy: -0.063
local terms energy: -64.845968
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 1.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -181.314424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.314424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.356197 (E_RNA)
where:
Base-Base interactions energy: -108.428
where: short stacking energy: -67.091
Base-Backbone interact. energy: -0.590
local terms energy: -72.337879
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -154.373108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.373108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.377742 (E_RNA)
where:
Base-Base interactions energy: -98.131
where: short stacking energy: -51.288
Base-Backbone interact. energy: -0.095
local terms energy: -56.151657
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -3.266
tors. eta vs tors. theta energy: -6.616
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: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -164.543366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.543366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.602862 (E_RNA)
where:
Base-Base interactions energy: -110.422
where: short stacking energy: -54.072
Base-Backbone interact. energy: -0.143
local terms energy: -55.038344
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -7.110
tors. eta vs tors. theta energy: -12.510
Dist. restrs. and SS energy: 1.059 (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: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -235.079116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.079116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.213383 (E_RNA)
where:
Base-Base interactions energy: -150.930
where: short stacking energy: -81.198
Base-Backbone interact. energy: 1.077
local terms energy: -85.360758
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -21.826
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: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -237.642269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.642269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.079765 (E_RNA)
where:
Base-Base interactions energy: -157.359
where: short stacking energy: -84.451
Base-Backbone interact. energy: -0.007
local terms energy: -80.713722
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -23.183
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -238.113092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.113092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.145075 (E_RNA)
where:
Base-Base interactions energy: -152.349
where: short stacking energy: -84.712
Base-Backbone interact. energy: -0.157
local terms energy: -85.639954
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -19.615
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: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -223.630996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.630996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.650258 (E_RNA)
where:
Base-Base interactions energy: -153.785
where: short stacking energy: -71.955
Base-Backbone interact. energy: -0.711
local terms energy: -70.153703
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 1.019 (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: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -176.424125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.424125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.529559 (E_RNA)
where:
Base-Base interactions energy: -109.274
where: short stacking energy: -66.560
Base-Backbone interact. energy: -0.522
local terms energy: -66.733552
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -180.496854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.496854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.505006 (E_RNA)
where:
Base-Base interactions energy: -114.189
where: short stacking energy: -63.391
Base-Backbone interact. energy: -0.450
local terms energy: -65.865790
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -10.308
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -13.933
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: 222
Temperature: 1.200000
Total energy: -176.413053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.413053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.183168 (E_RNA)
where:
Base-Base interactions energy: -110.131
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.674
local terms energy: -67.378009
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -12.216
Dist. restrs. and SS energy: 1.770 (S_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: -179.644128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.644128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.423067 (E_RNA)
where:
Base-Base interactions energy: -108.808
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.009
local terms energy: -71.605427
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.779 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -158.701292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.701292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.731885 (E_RNA)
where:
Base-Base interactions energy: -94.122
where: short stacking energy: -43.671
Base-Backbone interact. energy: -0.723
local terms energy: -63.886730
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -8.019
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: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -154.307801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.307801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.358211 (E_RNA)
where:
Base-Base interactions energy: -113.256
where: short stacking energy: -54.195
Base-Backbone interact. energy: 0.037
local terms energy: -41.138329
where:
bonds (distance) C4'-P energy: -1.820
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -6.351
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -6.402
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: 223
Temperature: 0.900000
Total energy: -238.871858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.871858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.924774 (E_RNA)
where:
Base-Base interactions energy: -153.570
where: short stacking energy: -85.472
Base-Backbone interact. energy: -0.086
local terms energy: -85.268721
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -23.521
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: 223
Temperature: 0.950000
Total energy: -242.902551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.902551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.902551 (E_RNA)
where:
Base-Base interactions energy: -160.703
where: short stacking energy: -93.819
Base-Backbone interact. energy: -0.007
local terms energy: -82.192282
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (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: 223
Temperature: 1.000000
Total energy: -231.327636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.327636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.649551 (E_RNA)
where:
Base-Base interactions energy: -151.435
where: short stacking energy: -85.513
Base-Backbone interact. energy: -0.115
local terms energy: -80.099949
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -24.418
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: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -182.695734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.695734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.780992 (E_RNA)
where:
Base-Base interactions energy: -118.529
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.115
local terms energy: -64.137214
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -199.038094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.038094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.044412 (E_RNA)
where:
Base-Base interactions energy: -125.266
where: short stacking energy: -59.767
Base-Backbone interact. energy: -0.613
local terms energy: -73.164973
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -14.197
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: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -198.203124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.203124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.214705 (E_RNA)
where:
Base-Base interactions energy: -123.732
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.090
local terms energy: -74.392466
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -16.133
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: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -180.339674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.339674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.349593 (E_RNA)
where:
Base-Base interactions energy: -114.000
where: short stacking energy: -65.541
Base-Backbone interact. energy: -0.039
local terms energy: -66.310732
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -13.890
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: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -150.974522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.974522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.054511 (E_RNA)
where:
Base-Base interactions energy: -91.397
where: short stacking energy: -51.394
Base-Backbone interact. energy: -0.087
local terms energy: -59.570781
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -8.300
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -11.337
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: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -165.324246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.324246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.271059 (E_RNA)
where:
Base-Base interactions energy: -113.386
where: short stacking energy: -59.549
Base-Backbone interact. energy: -0.328
local terms energy: -52.556889
where:
bonds (distance) C4'-P energy: -6.472
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -146.208689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.208689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.291149 (E_RNA)
where:
Base-Base interactions energy: -88.003
where: short stacking energy: -46.975
Base-Backbone interact. energy: 1.908
local terms energy: -60.196134
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -8.367
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: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -236.654198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.654198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.657218 (E_RNA)
where:
Base-Base interactions energy: -154.785
where: short stacking energy: -88.572
Base-Backbone interact. energy: -0.000
local terms energy: -81.871671
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -21.723
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: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -230.536512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.536512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.552927 (E_RNA)
where:
Base-Base interactions energy: -148.050
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.000
local terms energy: -82.502640
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -23.105
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: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -238.983514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.983514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.155138 (E_RNA)
where:
Base-Base interactions energy: -151.146
where: short stacking energy: -84.609
Base-Backbone interact. energy: -0.016
local terms energy: -89.992719
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -24.168
Dist. restrs. and SS energy: 2.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -216.305434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.305434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.513576 (E_RNA)
where:
Base-Base interactions energy: -142.829
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.076
local terms energy: -74.608408
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 1.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -202.423092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.423092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.424471 (E_RNA)
where:
Base-Base interactions energy: -127.916
where: short stacking energy: -78.361
Base-Backbone interact. energy: -0.001
local terms energy: -74.507396
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -18.434
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: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -176.009610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.009610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.848198 (E_RNA)
where:
Base-Base interactions energy: -103.714
where: short stacking energy: -64.213
Base-Backbone interact. energy: 0.006
local terms energy: -73.140042
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.839 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -168.013861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.013861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.056925 (E_RNA)
where:
Base-Base interactions energy: -107.339
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.067
local terms energy: -60.650833
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -6.250
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -10.832
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: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -161.632075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.632075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.177482 (E_RNA)
where:
Base-Base interactions energy: -97.040
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.015
local terms energy: -65.122216
where:
bonds (distance) C4'-P energy: -7.303
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -15.215
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: 9, replica: 4
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -155.171487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.171487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.286507 (E_RNA)
where:
Base-Base interactions energy: -101.078
where: short stacking energy: -42.979
Base-Backbone interact. energy: -0.141
local terms energy: -55.067508
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -9.711
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 1.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -154.653552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.653552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.711025 (E_RNA)
where:
Base-Base interactions energy: -86.776
where: short stacking energy: -40.671
Base-Backbone interact. energy: 0.253
local terms energy: -68.187975
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -9.620
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: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -233.650416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.650416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.470770 (E_RNA)
where:
Base-Base interactions energy: -151.587
where: short stacking energy: -83.674
Base-Backbone interact. energy: -0.192
local terms energy: -82.692763
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -233.157377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.157377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.967991 (E_RNA)
where:
Base-Base interactions energy: -150.876
where: short stacking energy: -79.527
Base-Backbone interact. energy: -0.000
local terms energy: -83.092102
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -231.660222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.660222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.696770 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -81.283
Base-Backbone interact. energy: -0.003
local terms energy: -80.533593
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 1.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -207.062092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.062092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.106303 (E_RNA)
where:
Base-Base interactions energy: -126.856
where: short stacking energy: -69.224
Base-Backbone interact. energy: -0.010
local terms energy: -80.239829
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -19.842
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: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -199.089986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.089986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.225509 (E_RNA)
where:
Base-Base interactions energy: -122.753
where: short stacking energy: -74.580
Base-Backbone interact. energy: -0.110
local terms energy: -76.362524
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -172.142774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.142774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.295309 (E_RNA)
where:
Base-Base interactions energy: -97.668
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.156
local terms energy: -74.471424
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -14.629
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: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -165.279300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.279300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.310519 (E_RNA)
where:
Base-Base interactions energy: -105.519
where: short stacking energy: -60.848
Base-Backbone interact. energy: -0.335
local terms energy: -59.456521
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -10.395
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: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -182.273107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.273107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.964049 (E_RNA)
where:
Base-Base interactions energy: -123.270
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.101
local terms energy: -59.592257
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -12.341
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -170.230612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.230612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.455215 (E_RNA)
where:
Base-Base interactions energy: -104.179
where: short stacking energy: -58.020
Base-Backbone interact. energy: -0.027
local terms energy: -66.248849
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -17.156
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: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -142.940097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.940097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.944911 (E_RNA)
where:
Base-Base interactions energy: -86.299
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.121
local terms energy: -56.525310
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -10.853
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: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -238.179497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.179497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.899831 (E_RNA)
where:
Base-Base interactions energy: -159.442
where: short stacking energy: -86.086
Base-Backbone interact. energy: -0.015
local terms energy: -79.443610
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -21.810
Dist. restrs. and SS energy: 0.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -231.388928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.388928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.814170 (E_RNA)
where:
Base-Base interactions energy: -154.738
where: short stacking energy: -84.221
Base-Backbone interact. energy: -0.004
local terms energy: -78.072997
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 1.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -232.682985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.682985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.651217 (E_RNA)
where:
Base-Base interactions energy: -151.127
where: short stacking energy: -78.596
Base-Backbone interact. energy: 0.203
local terms energy: -82.728033
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.968 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -219.189833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.189833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.192379 (E_RNA)
where:
Base-Base interactions energy: -137.607
where: short stacking energy: -80.008
Base-Backbone interact. energy: 0.785
local terms energy: -82.370462
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -23.905
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: 226
Temperature: 1.100000
Total energy: -187.690923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.690923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.690923 (E_RNA)
where:
Base-Base interactions energy: -116.344
where: short stacking energy: -51.888
Base-Backbone interact. energy: -0.252
local terms energy: -71.095171
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -14.857
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: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -185.487810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.487810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.294170 (E_RNA)
where:
Base-Base interactions energy: -112.279
where: short stacking energy: -66.120
Base-Backbone interact. energy: -0.051
local terms energy: -73.964464
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -18.232
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: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -183.960279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.960279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.565589 (E_RNA)
where:
Base-Base interactions energy: -109.696
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.156
local terms energy: -74.713149
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -19.264
Dist. restrs. and SS energy: 0.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -165.572542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.572542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.736145 (E_RNA)
where:
Base-Base interactions energy: -107.918
where: short stacking energy: -54.114
Base-Backbone interact. energy: -0.041
local terms energy: -58.777160
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 1.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -168.670644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.670644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.158806 (E_RNA)
where:
Base-Base interactions energy: -111.995
where: short stacking energy: -57.881
Base-Backbone interact. energy: -1.053
local terms energy: -57.110759
where:
bonds (distance) C4'-P energy: -4.944
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -16.408
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -160.919558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.919558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.934600 (E_RNA)
where:
Base-Base interactions energy: -93.932
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.107
local terms energy: -66.895799
where:
bonds (distance) C4'-P energy: -7.370
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -13.467
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: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -212.178068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.178068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.944160 (E_RNA)
where:
Base-Base interactions energy: -140.026
where: short stacking energy: -79.804
Base-Backbone interact. energy: -0.136
local terms energy: -72.782809
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.766 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -235.697334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.697334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.732234 (E_RNA)
where:
Base-Base interactions energy: -152.528
where: short stacking energy: -81.442
Base-Backbone interact. energy: -0.001
local terms energy: -83.203274
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -228.858291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.858291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.561472 (E_RNA)
where:
Base-Base interactions energy: -148.274
where: short stacking energy: -80.256
Base-Backbone interact. energy: -0.148
local terms energy: -83.139188
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 2.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -208.103167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.103167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.747811 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.237
local terms energy: -69.717364
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -196.222535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.222535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.449881 (E_RNA)
where:
Base-Base interactions energy: -120.216
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.022
local terms energy: -76.211322
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -17.646
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: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -197.751300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.751300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.767808 (E_RNA)
where:
Base-Base interactions energy: -135.063
where: short stacking energy: -69.023
Base-Backbone interact. energy: -0.073
local terms energy: -63.631569
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -15.854
Dist. restrs. and SS energy: 1.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -165.387785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.387785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.573530 (E_RNA)
where:
Base-Base interactions energy: -102.505
where: short stacking energy: -56.225
Base-Backbone interact. energy: -0.000
local terms energy: -63.068029
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -16.014
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: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -160.170332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.170332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.492295 (E_RNA)
where:
Base-Base interactions energy: -108.711
where: short stacking energy: -57.941
Base-Backbone interact. energy: 0.673
local terms energy: -53.454826
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 1.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -154.485586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.485586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.327368 (E_RNA)
where:
Base-Base interactions energy: -92.326
where: short stacking energy: -55.288
Base-Backbone interact. energy: -0.002
local terms energy: -63.999656
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -11.933
Dist. restrs. and SS energy: 1.842 (S_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: 227
Temperature: 1.350000
Total energy: -187.627272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.627272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.956734 (E_RNA)
where:
Base-Base interactions energy: -110.547
where: short stacking energy: -63.077
Base-Backbone interact. energy: -0.742
local terms energy: -76.667231
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -11.892
tors. eta vs tors. theta energy: -17.874
Dist. restrs. and SS energy: 0.329 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -242.894900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.894900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.485842 (E_RNA)
where:
Base-Base interactions energy: -162.095
where: short stacking energy: -87.057
Base-Backbone interact. energy: -0.696
local terms energy: -82.694533
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 2.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -228.725604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.725604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.552835 (E_RNA)
where:
Base-Base interactions energy: -156.420
where: short stacking energy: -78.835
Base-Backbone interact. energy: -0.002
local terms energy: -73.130955
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -22.315
Dist. restrs. and SS energy: 0.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -228.663879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.663879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.699557 (E_RNA)
where:
Base-Base interactions energy: -145.068
where: short stacking energy: -75.069
Base-Backbone interact. energy: -0.091
local terms energy: -83.540321
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -22.473
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: 228
Temperature: 1.050000
Total energy: -213.531219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.531219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.687470 (E_RNA)
where:
Base-Base interactions energy: -143.944
where: short stacking energy: -72.825
Base-Backbone interact. energy: -0.034
local terms energy: -70.708681
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 1.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -165.509731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.509731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.031883 (E_RNA)
where:
Base-Base interactions energy: -99.138
where: short stacking energy: -46.301
Base-Backbone interact. energy: -0.402
local terms energy: -66.491878
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -12.032
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: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -194.325635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.325635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.802292 (E_RNA)
where:
Base-Base interactions energy: -125.159
where: short stacking energy: -76.598
Base-Backbone interact. energy: -0.004
local terms energy: -70.639995
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 1.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -169.789993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.789993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.126743 (E_RNA)
where:
Base-Base interactions energy: -101.989
where: short stacking energy: -59.340
Base-Backbone interact. energy: -0.044
local terms energy: -68.093908
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -170.910102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.910102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.630552 (E_RNA)
where:
Base-Base interactions energy: -111.435
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.154
local terms energy: -61.041218
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 1.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -170.535948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.535948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.972799 (E_RNA)
where:
Base-Base interactions energy: -99.334
where: short stacking energy: -64.012
Base-Backbone interact. energy: -0.054
local terms energy: -71.585528
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -156.741755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.741755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.801562 (E_RNA)
where:
Base-Base interactions energy: -91.788
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.215
local terms energy: -64.798679
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -13.488
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: 6
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -234.952661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.952661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.613733 (E_RNA)
where:
Base-Base interactions energy: -155.920
where: short stacking energy: -86.436
Base-Backbone interact. energy: -0.046
local terms energy: -79.648095
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -10.794
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -21.072
Dist. restrs. and SS energy: 0.661 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -212.928783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.928783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.608213 (E_RNA)
where:
Base-Base interactions energy: -138.842
where: short stacking energy: -70.754
Base-Backbone interact. energy: -0.007
local terms energy: -74.758974
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -19.276
Dist. restrs. and SS energy: 0.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -228.849984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.849984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.596825 (E_RNA)
where:
Base-Base interactions energy: -144.960
where: short stacking energy: -74.816
Base-Backbone interact. energy: -0.002
local terms energy: -84.634615
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -22.086
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -214.551510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.551510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.391402 (E_RNA)
where:
Base-Base interactions energy: -136.060
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.406
local terms energy: -79.925552
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 1.840 (S_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: 229
Temperature: 1.100000
Total energy: -175.006499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.006499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.205829 (E_RNA)
where:
Base-Base interactions energy: -102.095
where: short stacking energy: -59.397
Base-Backbone interact. energy: -1.003
local terms energy: -72.107741
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -168.651016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.651016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.909905 (E_RNA)
where:
Base-Base interactions energy: -105.090
where: short stacking energy: -65.068
Base-Backbone interact. energy: 0.679
local terms energy: -64.498781
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -10.628
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -172.442832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.442832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.455699 (E_RNA)
where:
Base-Base interactions energy: -107.198
where: short stacking energy: -58.801
Base-Backbone interact. energy: -0.006
local terms energy: -65.252041
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -13.352
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: 229
Temperature: 1.250000
Total energy: -169.021071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.021071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.021071 (E_RNA)
where:
Base-Base interactions energy: -113.532
where: short stacking energy: -67.143
Base-Backbone interact. energy: -0.029
local terms energy: -55.460214
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: -0.000 (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: 229
Temperature: 1.300000
Total energy: -157.636998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.636998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.779694 (E_RNA)
where:
Base-Base interactions energy: -95.233
where: short stacking energy: -52.800
Base-Backbone interact. energy: -0.315
local terms energy: -62.231529
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -7.871
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -153.189789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.189789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.235724 (E_RNA)
where:
Base-Base interactions energy: -100.999
where: short stacking energy: -58.439
Base-Backbone interact. energy: -0.041
local terms energy: -52.195264
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -6.597
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -13.278
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: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -241.196782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.196782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.000420 (E_RNA)
where:
Base-Base interactions energy: -161.480
where: short stacking energy: -88.935
Base-Backbone interact. energy: -0.599
local terms energy: -79.921260
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -234.364183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.364183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.329092 (E_RNA)
where:
Base-Base interactions energy: -154.414
where: short stacking energy: -80.925
Base-Backbone interact. energy: 0.004
local terms energy: -80.918616
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -226.502426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.502426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.540874 (E_RNA)
where:
Base-Base interactions energy: -146.371
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.003
local terms energy: -80.167772
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -22.776
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: 230
Temperature: 1.050000
Total energy: -222.496729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.496729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.258210 (E_RNA)
where:
Base-Base interactions energy: -152.788
where: short stacking energy: -74.222
Base-Backbone interact. energy: -0.709
local terms energy: -69.761042
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -193.603753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.603753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.664766 (E_RNA)
where:
Base-Base interactions energy: -117.537
where: short stacking energy: -73.720
Base-Backbone interact. energy: -0.083
local terms energy: -76.045564
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -15.599
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: 230
Temperature: 1.150000
Total energy: -187.045853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.045853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.045853 (E_RNA)
where:
Base-Base interactions energy: -108.941
where: short stacking energy: -55.463
Base-Backbone interact. energy: -0.284
local terms energy: -77.820546
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -18.071
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: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -176.892792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.892792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.356593 (E_RNA)
where:
Base-Base interactions energy: -112.541
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.017
local terms energy: -65.798327
where:
bonds (distance) C4'-P energy: -6.838
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 1.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -158.036125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.036125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.052428 (E_RNA)
where:
Base-Base interactions energy: -96.142
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.107
local terms energy: -61.802823
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -8.496
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: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -173.784412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.784412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.887155 (E_RNA)
where:
Base-Base interactions energy: -109.883
where: short stacking energy: -64.641
Base-Backbone interact. energy: 0.252
local terms energy: -64.256018
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -10.417
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: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -150.459437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.459437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.465474 (E_RNA)
where:
Base-Base interactions energy: -93.418
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.084
local terms energy: -56.963269
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -10.317
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: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -242.139563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.139563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.233142 (E_RNA)
where:
Base-Base interactions energy: -158.585
where: short stacking energy: -86.203
Base-Backbone interact. energy: 0.068
local terms energy: -83.715829
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -24.691
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: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -234.612006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.612006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.609086 (E_RNA)
where:
Base-Base interactions energy: -149.267
where: short stacking energy: -73.264
Base-Backbone interact. energy: -0.069
local terms energy: -86.272980
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -23.655
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -221.280660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.280660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.575248 (E_RNA)
where:
Base-Base interactions energy: -147.850
where: short stacking energy: -81.051
Base-Backbone interact. energy: -0.003
local terms energy: -73.722956
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -207.390629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.390629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.749846 (E_RNA)
where:
Base-Base interactions energy: -125.273
where: short stacking energy: -70.161
Base-Backbone interact. energy: -1.098
local terms energy: -82.378982
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -23.824
Dist. restrs. and SS energy: 1.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -180.737291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.737291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.737291 (E_RNA)
where:
Base-Base interactions energy: -115.339
where: short stacking energy: -71.638
Base-Backbone interact. energy: -0.136
local terms energy: -65.262962
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -16.290
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: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -159.749395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.749395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.755941 (E_RNA)
where:
Base-Base interactions energy: -101.814
where: short stacking energy: -57.262
Base-Backbone interact. energy: -0.788
local terms energy: -57.153575
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -6.918
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: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -181.786700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.786700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.960552 (E_RNA)
where:
Base-Base interactions energy: -117.512
where: short stacking energy: -55.946
Base-Backbone interact. energy: 0.077
local terms energy: -64.525428
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -12.458
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: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -155.544183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.544183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.025068 (E_RNA)
where:
Base-Base interactions energy: -96.792
where: short stacking energy: -58.037
Base-Backbone interact. energy: -0.112
local terms energy: -59.121252
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.481 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -161.918744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.918744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.083806 (E_RNA)
where:
Base-Base interactions energy: -104.507
where: short stacking energy: -60.678
Base-Backbone interact. energy: -0.028
local terms energy: -57.548421
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -158.341610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.341610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.389059 (E_RNA)
where:
Base-Base interactions energy: -110.759
where: short stacking energy: -57.649
Base-Backbone interact. energy: 0.157
local terms energy: -47.787567
where:
bonds (distance) C4'-P energy: 1.725
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -14.329
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: 232
Temperature: 0.900000
Total energy: -239.359254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.359254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.308376 (E_RNA)
where:
Base-Base interactions energy: -156.260
where: short stacking energy: -84.612
Base-Backbone interact. energy: -0.305
local terms energy: -84.742975
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 1.949 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -241.745707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.745707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.769016 (E_RNA)
where:
Base-Base interactions energy: -158.078
where: short stacking energy: -90.130
Base-Backbone interact. energy: -0.030
local terms energy: -84.661669
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 1.023 (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: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -223.316177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.316177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.039637 (E_RNA)
where:
Base-Base interactions energy: -145.863
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.043
local terms energy: -78.133966
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -233.505485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.505485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.468604 (E_RNA)
where:
Base-Base interactions energy: -148.676
where: short stacking energy: -85.823
Base-Backbone interact. energy: -0.000
local terms energy: -85.792348
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -22.267
Dist. restrs. and SS energy: 0.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -179.445334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.445334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.708566 (E_RNA)
where:
Base-Base interactions energy: -104.239
where: short stacking energy: -53.098
Base-Backbone interact. energy: -0.843
local terms energy: -75.627094
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 1.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -174.370474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.370474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.470818 (E_RNA)
where:
Base-Base interactions energy: -103.451
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.006
local terms energy: -71.013727
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -12.864
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: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -176.560386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.560386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.579249 (E_RNA)
where:
Base-Base interactions energy: -114.662
where: short stacking energy: -62.373
Base-Backbone interact. energy: 0.199
local terms energy: -62.116737
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -17.072
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: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -161.340778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.340778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.340778 (E_RNA)
where:
Base-Base interactions energy: -101.314
where: short stacking energy: -48.216
Base-Backbone interact. energy: -0.211
local terms energy: -59.816266
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -7.982
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -11.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -156.385632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.385632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.462594 (E_RNA)
where:
Base-Base interactions energy: -101.852
where: short stacking energy: -35.604
Base-Backbone interact. energy: -0.229
local terms energy: -54.381181
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -5.156
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: 232
Temperature: 1.350000
Total energy: -156.086358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.086358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.121365 (E_RNA)
where:
Base-Base interactions energy: -103.748
where: short stacking energy: -51.600
Base-Backbone interact. energy: -0.459
local terms energy: -51.914710
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -7.850
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -13.299
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: 7
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -233.893657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.893657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.453812 (E_RNA)
where:
Base-Base interactions energy: -150.836
where: short stacking energy: -82.967
Base-Backbone interact. energy: -0.017
local terms energy: -83.600644
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -24.679
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -244.082214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.082214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.116894 (E_RNA)
where:
Base-Base interactions energy: -154.565
where: short stacking energy: -87.562
Base-Backbone interact. energy: -1.360
local terms energy: -88.192224
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -22.569
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: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -218.855693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.855693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.090557 (E_RNA)
where:
Base-Base interactions energy: -138.338
where: short stacking energy: -76.418
Base-Backbone interact. energy: -0.002
local terms energy: -80.750760
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -20.383
Dist. restrs. and SS energy: 0.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -201.326647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.326647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.094102 (E_RNA)
where:
Base-Base interactions energy: -128.518
where: short stacking energy: -68.618
Base-Backbone interact. energy: -0.522
local terms energy: -74.054244
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 1.767 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -224.034668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.034668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.629865 (E_RNA)
where:
Base-Base interactions energy: -147.468
where: short stacking energy: -77.002
Base-Backbone interact. energy: -0.292
local terms energy: -77.869553
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -21.658
Dist. restrs. and SS energy: 1.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -206.432350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.432350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.471489 (E_RNA)
where:
Base-Base interactions energy: -130.522
where: short stacking energy: -76.390
Base-Backbone interact. energy: -0.008
local terms energy: -75.941480
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -20.472
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: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -165.589492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.589492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.638523 (E_RNA)
where:
Base-Base interactions energy: -93.950
where: short stacking energy: -56.910
Base-Backbone interact. energy: -0.213
local terms energy: -71.475924
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -14.854
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: 2
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -179.336972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.336972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.383631 (E_RNA)
where:
Base-Base interactions energy: -112.136
where: short stacking energy: -58.524
Base-Backbone interact. energy: -0.007
local terms energy: -67.240665
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -14.542
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: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -152.634398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.634398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.189914 (E_RNA)
where:
Base-Base interactions energy: -94.590
where: short stacking energy: -47.211
Base-Backbone interact. energy: -0.125
local terms energy: -58.474605
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -146.005150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.005150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.074879 (E_RNA)
where:
Base-Base interactions energy: -86.572
where: short stacking energy: -51.130
Base-Backbone interact. energy: -0.659
local terms energy: -58.844150
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -13.280
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: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -237.783833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.783833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.005853 (E_RNA)
where:
Base-Base interactions energy: -152.609
where: short stacking energy: -84.226
Base-Backbone interact. energy: -0.057
local terms energy: -85.339351
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -22.781
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -230.060677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.060677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.432668 (E_RNA)
where:
Base-Base interactions energy: -151.071
where: short stacking energy: -80.039
Base-Backbone interact. energy: -0.006
local terms energy: -79.355271
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -22.165
Dist. restrs. and SS energy: 0.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -224.317211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.317211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.949885 (E_RNA)
where:
Base-Base interactions energy: -148.287
where: short stacking energy: -79.938
Base-Backbone interact. energy: -0.992
local terms energy: -75.670679
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -201.888786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.888786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.259379 (E_RNA)
where:
Base-Base interactions energy: -126.086
where: short stacking energy: -63.924
Base-Backbone interact. energy: -1.233
local terms energy: -75.941009
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -18.769
Dist. restrs. and SS energy: 1.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -204.802521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.802521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.392614 (E_RNA)
where:
Base-Base interactions energy: -137.873
where: short stacking energy: -69.217
Base-Backbone interact. energy: -0.096
local terms energy: -68.423078
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 1.590 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -206.016079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.016079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.630131 (E_RNA)
where:
Base-Base interactions energy: -136.501
where: short stacking energy: -65.619
Base-Backbone interact. energy: -0.080
local terms energy: -70.049344
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -20.118
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -180.615252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.615252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.902517 (E_RNA)
where:
Base-Base interactions energy: -115.967
where: short stacking energy: -56.350
Base-Backbone interact. energy: 0.644
local terms energy: -65.579211
where:
bonds (distance) C4'-P energy: -7.387
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -16.546
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: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -168.714349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.714349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725701 (E_RNA)
where:
Base-Base interactions energy: -104.436
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.033
local terms energy: -64.257091
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -12.191
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: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -154.314138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.314138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.334809 (E_RNA)
where:
Base-Base interactions energy: -97.096
where: short stacking energy: -43.838
Base-Backbone interact. energy: -0.640
local terms energy: -56.599307
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -4.898
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: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -157.830608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.830608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.911655 (E_RNA)
where:
Base-Base interactions energy: -93.901
where: short stacking energy: -48.271
Base-Backbone interact. energy: -0.008
local terms energy: -64.003158
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -12.411
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: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -238.682106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.682106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.758567 (E_RNA)
where:
Base-Base interactions energy: -158.967
where: short stacking energy: -91.010
Base-Backbone interact. energy: -0.087
local terms energy: -79.704174
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -22.376
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -236.021479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.021479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.932521 (E_RNA)
where:
Base-Base interactions energy: -155.313
where: short stacking energy: -78.994
Base-Backbone interact. energy: -0.022
local terms energy: -81.597988
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -221.061207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.061207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.061207 (E_RNA)
where:
Base-Base interactions energy: -145.660
where: short stacking energy: -90.213
Base-Backbone interact. energy: -0.244
local terms energy: -75.157415
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -21.395
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: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -213.993128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.993128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.866596 (E_RNA)
where:
Base-Base interactions energy: -142.168
where: short stacking energy: -73.868
Base-Backbone interact. energy: -0.054
local terms energy: -72.644455
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -205.994647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.994647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.926664 (E_RNA)
where:
Base-Base interactions energy: -131.274
where: short stacking energy: -71.580
Base-Backbone interact. energy: -0.646
local terms energy: -76.006207
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 1.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -189.228850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.228850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.275346 (E_RNA)
where:
Base-Base interactions energy: -122.540
where: short stacking energy: -69.291
Base-Backbone interact. energy: -0.041
local terms energy: -66.694151
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -14.258
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: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -188.154185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.154185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.301140 (E_RNA)
where:
Base-Base interactions energy: -123.466
where: short stacking energy: -66.775
Base-Backbone interact. energy: -0.054
local terms energy: -64.781373
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -9.993
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -157.163578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.163578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.334406 (E_RNA)
where:
Base-Base interactions energy: -95.545
where: short stacking energy: -60.301
Base-Backbone interact. energy: -0.309
local terms energy: -61.479969
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -4.464
tors. eta vs tors. theta energy: -12.218
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: 235
Temperature: 1.300000
Total energy: -153.748063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.748063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.317479 (E_RNA)
where:
Base-Base interactions energy: -91.368
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.126
local terms energy: -62.823933
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -147.822345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.822345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.824624 (E_RNA)
where:
Base-Base interactions energy: -91.269
where: short stacking energy: -51.099
Base-Backbone interact. energy: 1.933
local terms energy: -58.488426
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -10.625
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: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -243.304933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.304933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.363178 (E_RNA)
where:
Base-Base interactions energy: -153.634
where: short stacking energy: -85.751
Base-Backbone interact. energy: -0.042
local terms energy: -89.687472
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -240.274460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.274460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.229550 (E_RNA)
where:
Base-Base interactions energy: -159.559
where: short stacking energy: -87.482
Base-Backbone interact. energy: -0.001
local terms energy: -81.669936
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -227.744200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.744200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.825414 (E_RNA)
where:
Base-Base interactions energy: -149.438
where: short stacking energy: -79.570
Base-Backbone interact. energy: -0.003
local terms energy: -78.384388
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -16.717
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -19.325
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: 236
Temperature: 1.050000
Total energy: -235.369346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.369346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.379479 (E_RNA)
where:
Base-Base interactions energy: -154.441
where: short stacking energy: -88.575
Base-Backbone interact. energy: -0.034
local terms energy: -80.904917
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -22.366
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: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -216.430296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.430296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.660892 (E_RNA)
where:
Base-Base interactions energy: -138.778
where: short stacking energy: -79.470
Base-Backbone interact. energy: -0.005
local terms energy: -77.877729
where:
bonds (distance) C4'-P energy: -11.695
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -181.858706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.858706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.139292 (E_RNA)
where:
Base-Base interactions energy: -116.673
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.790
local terms energy: -65.676349
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 1.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -172.553565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.553565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.609092 (E_RNA)
where:
Base-Base interactions energy: -114.787
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.011
local terms energy: -57.811297
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -15.968
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: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -174.881968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.881968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.911596 (E_RNA)
where:
Base-Base interactions energy: -109.715
where: short stacking energy: -59.344
Base-Backbone interact. energy: -0.016
local terms energy: -65.180567
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -11.313
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -11.303
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: 236
Temperature: 1.300000
Total energy: -157.566429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.566429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.590861 (E_RNA)
where:
Base-Base interactions energy: -96.007
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.045
local terms energy: -61.538706
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -8.315
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: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -151.469102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.469102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.531096 (E_RNA)
where:
Base-Base interactions energy: -95.941
where: short stacking energy: -50.954
Base-Backbone interact. energy: -0.175
local terms energy: -55.415608
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -10.207
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: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -240.509371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.509371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.366167 (E_RNA)
where:
Base-Base interactions energy: -154.330
where: short stacking energy: -82.723
Base-Backbone interact. energy: -0.298
local terms energy: -86.738473
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -230.755842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.755842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.666719 (E_RNA)
where:
Base-Base interactions energy: -149.799
where: short stacking energy: -79.136
Base-Backbone interact. energy: 0.173
local terms energy: -82.041011
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -223.571621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.571621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.461998 (E_RNA)
where:
Base-Base interactions energy: -147.172
where: short stacking energy: -78.042
Base-Backbone interact. energy: -0.000
local terms energy: -77.290009
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -18.589
Dist. restrs. and SS energy: 0.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -197.408851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.408851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.513219 (E_RNA)
where:
Base-Base interactions energy: -122.246
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.028
local terms energy: -76.239252
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -204.880875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.880875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.160936 (E_RNA)
where:
Base-Base interactions energy: -123.925
where: short stacking energy: -78.675
Base-Backbone interact. energy: -0.012
local terms energy: -81.223971
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -200.390474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.390474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.414658 (E_RNA)
where:
Base-Base interactions energy: -126.477
where: short stacking energy: -70.636
Base-Backbone interact. energy: -0.149
local terms energy: -73.788541
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -201.402424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.402424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.102583 (E_RNA)
where:
Base-Base interactions energy: -125.445
where: short stacking energy: -61.714
Base-Backbone interact. energy: -1.109
local terms energy: -75.547795
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -171.793833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.793833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.070408 (E_RNA)
where:
Base-Base interactions energy: -109.609
where: short stacking energy: -62.178
Base-Backbone interact. energy: -0.272
local terms energy: -62.189006
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -8.612
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: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -154.867103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.867103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.341233 (E_RNA)
where:
Base-Base interactions energy: -95.347
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.096
local terms energy: -59.897877
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -10.317
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -154.091778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.091778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.344134 (E_RNA)
where:
Base-Base interactions energy: -99.923
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.034
local terms energy: -54.386982
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -5.725
tors. eta vs tors. theta energy: -13.958
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: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -236.439723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.439723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.572949 (E_RNA)
where:
Base-Base interactions energy: -153.225
where: short stacking energy: -86.567
Base-Backbone interact. energy: -0.441
local terms energy: -83.906956
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -24.061
Dist. restrs. and SS energy: 1.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -234.023817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.023817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.199506 (E_RNA)
where:
Base-Base interactions energy: -153.722
where: short stacking energy: -84.036
Base-Backbone interact. energy: -0.012
local terms energy: -81.464998
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 1.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -228.384266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.384266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.520651 (E_RNA)
where:
Base-Base interactions energy: -150.301
where: short stacking energy: -76.995
Base-Backbone interact. energy: -1.880
local terms energy: -76.339552
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -20.179
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -194.840017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.840017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.946927 (E_RNA)
where:
Base-Base interactions energy: -119.804
where: short stacking energy: -68.877
Base-Backbone interact. energy: -0.004
local terms energy: -75.138217
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -174.450805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.450805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.450805 (E_RNA)
where:
Base-Base interactions energy: -110.467
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.397
local terms energy: -63.586956
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -14.769
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: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -190.865414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.865414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.086330 (E_RNA)
where:
Base-Base interactions energy: -122.067
where: short stacking energy: -72.663
Base-Backbone interact. energy: -1.529
local terms energy: -67.490611
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -186.576225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.576225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.672904 (E_RNA)
where:
Base-Base interactions energy: -110.994
where: short stacking energy: -62.689
Base-Backbone interact. energy: -0.000
local terms energy: -75.678307
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -19.337
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: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -158.486813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.486813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.813808 (E_RNA)
where:
Base-Base interactions energy: -98.316
where: short stacking energy: -60.402
Base-Backbone interact. energy: -0.040
local terms energy: -60.458140
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -9.772
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: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -158.287236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.287236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.534651 (E_RNA)
where:
Base-Base interactions energy: -96.539
where: short stacking energy: -56.084
Base-Backbone interact. energy: -1.495
local terms energy: -60.501185
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -9.979
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: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -152.442289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.442289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.522699 (E_RNA)
where:
Base-Base interactions energy: -98.421
where: short stacking energy: -58.328
Base-Backbone interact. energy: -0.853
local terms energy: -53.248624
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -9.295
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: 239
Temperature: 0.900000
Total energy: -233.306423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.306423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.799315 (E_RNA)
where:
Base-Base interactions energy: -153.937
where: short stacking energy: -82.412
Base-Backbone interact. energy: -0.014
local terms energy: -79.848291
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -234.346665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.346665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.348598 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -77.422
Base-Backbone interact. energy: -0.723
local terms energy: -85.315630
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -20.693
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: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -209.946380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.946380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.822783 (E_RNA)
where:
Base-Base interactions energy: -136.138
where: short stacking energy: -66.913
Base-Backbone interact. energy: -0.020
local terms energy: -74.665321
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -21.257
Dist. restrs. and SS energy: 0.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -193.311216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.311216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.314343 (E_RNA)
where:
Base-Base interactions energy: -118.010
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.031
local terms energy: -75.273982
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -18.430
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: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -199.923957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.923957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.940235 (E_RNA)
where:
Base-Base interactions energy: -131.400
where: short stacking energy: -53.047
Base-Backbone interact. energy: -1.001
local terms energy: -67.539450
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -16.707
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -15.040
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: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -190.361088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.361088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.039174 (E_RNA)
where:
Base-Base interactions energy: -123.377
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.603
local terms energy: -67.059374
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -163.650609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.650609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.794813 (E_RNA)
where:
Base-Base interactions energy: -95.560
where: short stacking energy: -50.158
Base-Backbone interact. energy: -0.309
local terms energy: -67.925707
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -13.428
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: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -158.419033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.419033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.580246 (E_RNA)
where:
Base-Base interactions energy: -100.167
where: short stacking energy: -52.621
Base-Backbone interact. energy: 0.167
local terms energy: -58.579733
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -12.695
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: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -154.270326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.270326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.359713 (E_RNA)
where:
Base-Base interactions energy: -90.719
where: short stacking energy: -48.385
Base-Backbone interact. energy: 0.799
local terms energy: -64.439479
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -14.052
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: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -146.380021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.380021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.444948 (E_RNA)
where:
Base-Base interactions energy: -91.313
where: short stacking energy: -51.751
Base-Backbone interact. energy: -0.113
local terms energy: -55.018987
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -7.105
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -14.195
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: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -237.273766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.273766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.741211 (E_RNA)
where:
Base-Base interactions energy: -155.163
where: short stacking energy: -87.856
Base-Backbone interact. energy: -0.010
local terms energy: -82.568496
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -23.375
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: 2, replica: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -230.826286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.826286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.269755 (E_RNA)
where:
Base-Base interactions energy: -149.482
where: short stacking energy: -81.026
Base-Backbone interact. energy: -0.072
local terms energy: -81.715505
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -230.295596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.295596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.739335 (E_RNA)
where:
Base-Base interactions energy: -153.699
where: short stacking energy: -82.705
Base-Backbone interact. energy: -0.005
local terms energy: -77.034946
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -19.731
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -205.603732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.603732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.523225 (E_RNA)
where:
Base-Base interactions energy: -129.615
where: short stacking energy: -68.900
Base-Backbone interact. energy: -0.001
local terms energy: -76.907169
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -205.781055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.781055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.832060 (E_RNA)
where:
Base-Base interactions energy: -134.599
where: short stacking energy: -52.813
Base-Backbone interact. energy: -0.876
local terms energy: -70.357049
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -13.762
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: 240
Temperature: 1.150000
Total energy: -193.282288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.282288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.839644 (E_RNA)
where:
Base-Base interactions energy: -116.551
where: short stacking energy: -62.201
Base-Backbone interact. energy: -0.755
local terms energy: -76.534162
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -175.216827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.216827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.565779 (E_RNA)
where:
Base-Base interactions energy: -110.162
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.018
local terms energy: -66.385382
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 1.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -164.171790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.171790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.172634 (E_RNA)
where:
Base-Base interactions energy: -105.698
where: short stacking energy: -44.284
Base-Backbone interact. energy: -0.211
local terms energy: -58.263063
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -12.358
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -141.647507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.647507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.778479 (E_RNA)
where:
Base-Base interactions energy: -86.148
where: short stacking energy: -48.124
Base-Backbone interact. energy: -0.476
local terms energy: -55.154589
where:
bonds (distance) C4'-P energy: -8.598
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -6.199
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: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -161.430330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.430330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.430330 (E_RNA)
where:
Base-Base interactions energy: -98.180
where: short stacking energy: -54.855
Base-Backbone interact. energy: -0.754
local terms energy: -62.496797
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -15.948
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: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -245.340564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.340564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.627054 (E_RNA)
where:
Base-Base interactions energy: -158.154
where: short stacking energy: -85.215
Base-Backbone interact. energy: -0.446
local terms energy: -88.026892
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 1.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -227.074222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.074222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.221910 (E_RNA)
where:
Base-Base interactions energy: -144.273
where: short stacking energy: -83.633
Base-Backbone interact. energy: -0.588
local terms energy: -82.361455
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -20.067
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -227.623277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.623277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.804254 (E_RNA)
where:
Base-Base interactions energy: -146.038
where: short stacking energy: -79.839
Base-Backbone interact. energy: -0.001
local terms energy: -82.765461
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 1.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -197.000525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.000525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.356978 (E_RNA)
where:
Base-Base interactions energy: -127.125
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.077
local terms energy: -71.154749
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 1.356 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -199.921309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.921309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.110063 (E_RNA)
where:
Base-Base interactions energy: -130.089
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.001
local terms energy: -71.020415
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 1.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -203.475657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.475657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.725362 (E_RNA)
where:
Base-Base interactions energy: -125.863
where: short stacking energy: -70.871
Base-Backbone interact. energy: -1.935
local terms energy: -75.927398
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -175.447262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.447262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.473263 (E_RNA)
where:
Base-Base interactions energy: -101.261
where: short stacking energy: -60.036
Base-Backbone interact. energy: 0.415
local terms energy: -74.627018
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -14.969
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: 8
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -142.674418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.674418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.674418 (E_RNA)
where:
Base-Base interactions energy: -85.188
where: short stacking energy: -41.152
Base-Backbone interact. energy: -1.154
local terms energy: -56.332693
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -5.205
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: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -147.213190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.213190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.535419 (E_RNA)
where:
Base-Base interactions energy: -88.587
where: short stacking energy: -49.117
Base-Backbone interact. energy: -0.574
local terms energy: -58.374286
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -8.276
tors. eta vs tors. theta energy: -9.647
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: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -150.099700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.099700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.228472 (E_RNA)
where:
Base-Base interactions energy: -89.741
where: short stacking energy: -51.400
Base-Backbone interact. energy: -0.241
local terms energy: -60.245827
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -13.565
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: 9
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -238.277136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.277136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.160132 (E_RNA)
where:
Base-Base interactions energy: -159.734
where: short stacking energy: -87.684
Base-Backbone interact. energy: -0.289
local terms energy: -80.136240
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 1.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -214.275783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.275783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.765370 (E_RNA)
where:
Base-Base interactions energy: -132.764
where: short stacking energy: -63.904
Base-Backbone interact. energy: -0.347
local terms energy: -82.654195
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 1.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -213.049113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.049113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.097584 (E_RNA)
where:
Base-Base interactions energy: -135.797
where: short stacking energy: -72.430
Base-Backbone interact. energy: -0.072
local terms energy: -77.228174
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -18.833
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: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -216.770157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.770157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.213375 (E_RNA)
where:
Base-Base interactions energy: -146.196
where: short stacking energy: -75.689
Base-Backbone interact. energy: -0.654
local terms energy: -71.363234
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 1.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -213.922085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.922085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.068892 (E_RNA)
where:
Base-Base interactions energy: -138.095
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.043
local terms energy: -76.930399
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 1.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -186.387247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.387247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.510357 (E_RNA)
where:
Base-Base interactions energy: -122.846
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.382
local terms energy: -63.282295
where:
bonds (distance) C4'-P energy: -6.306
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -162.179514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.179514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.292080 (E_RNA)
where:
Base-Base interactions energy: -103.949
where: short stacking energy: -62.396
Base-Backbone interact. energy: 1.447
local terms energy: -59.789581
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -9.331
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: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -170.025374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.025374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.580944 (E_RNA)
where:
Base-Base interactions energy: -108.510
where: short stacking energy: -60.906
Base-Backbone interact. energy: 0.517
local terms energy: -62.588268
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -161.447217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.447217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.462110 (E_RNA)
where:
Base-Base interactions energy: -106.595
where: short stacking energy: -55.359
Base-Backbone interact. energy: 1.357
local terms energy: -56.224655
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -2.574
tors. eta vs tors. theta energy: -12.636
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: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -151.878640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.878640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.383123 (E_RNA)
where:
Base-Base interactions energy: -99.915
where: short stacking energy: -56.024
Base-Backbone interact. energy: -0.060
local terms energy: -52.407905
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -233.875848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.875848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.432890 (E_RNA)
where:
Base-Base interactions energy: -155.717
where: short stacking energy: -83.734
Base-Backbone interact. energy: -0.160
local terms energy: -79.556547
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -236.260425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.260425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.869569 (E_RNA)
where:
Base-Base interactions energy: -155.752
where: short stacking energy: -74.613
Base-Backbone interact. energy: -0.390
local terms energy: -81.728082
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 1.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -189.980293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.980293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.326175 (E_RNA)
where:
Base-Base interactions energy: -118.407
where: short stacking energy: -68.284
Base-Backbone interact. energy: -0.130
local terms energy: -71.789402
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -13.034
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: 4, replica: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -222.006108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.006108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.523482 (E_RNA)
where:
Base-Base interactions energy: -146.979
where: short stacking energy: -78.563
Base-Backbone interact. energy: -0.000
local terms energy: -75.544536
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -20.288
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: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -198.116055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.116055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.265296 (E_RNA)
where:
Base-Base interactions energy: -121.779
where: short stacking energy: -61.683
Base-Backbone interact. energy: -1.189
local terms energy: -76.297322
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 1.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -172.038900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.038900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.149979 (E_RNA)
where:
Base-Base interactions energy: -98.999
where: short stacking energy: -53.144
Base-Backbone interact. energy: -0.048
local terms energy: -73.103255
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -173.853189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.853189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.033242 (E_RNA)
where:
Base-Base interactions energy: -121.229
where: short stacking energy: -63.619
Base-Backbone interact. energy: 0.615
local terms energy: -53.419213
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -10.032
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: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -165.907379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.907379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.963829 (E_RNA)
where:
Base-Base interactions energy: -102.848
where: short stacking energy: -58.464
Base-Backbone interact. energy: -0.078
local terms energy: -63.037318
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -15.667
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: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -149.464391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.464391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.505777 (E_RNA)
where:
Base-Base interactions energy: -90.467
where: short stacking energy: -50.974
Base-Backbone interact. energy: -0.201
local terms energy: -58.837697
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -6.831
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: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -159.293125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.293125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.346585 (E_RNA)
where:
Base-Base interactions energy: -95.642
where: short stacking energy: -47.203
Base-Backbone interact. energy: -2.782
local terms energy: -60.922402
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -229.847127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.847127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.847127 (E_RNA)
where:
Base-Base interactions energy: -151.087
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.000
local terms energy: -78.759671
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -19.299
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: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -236.671719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.671719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.942762 (E_RNA)
where:
Base-Base interactions energy: -155.296
where: short stacking energy: -79.984
Base-Backbone interact. energy: -0.006
local terms energy: -82.641575
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 1.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -237.389166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.389166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.389341 (E_RNA)
where:
Base-Base interactions energy: -162.407
where: short stacking energy: -85.948
Base-Backbone interact. energy: -0.005
local terms energy: -74.977399
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -22.324
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: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -187.427618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.427618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.449829 (E_RNA)
where:
Base-Base interactions energy: -118.302
where: short stacking energy: -64.577
Base-Backbone interact. energy: -0.010
local terms energy: -69.137536
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -8.161
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -14.462
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: 244
Temperature: 1.100000
Total energy: -199.814115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.814115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.936896 (E_RNA)
where:
Base-Base interactions energy: -125.595
where: short stacking energy: -63.143
Base-Backbone interact. energy: -1.289
local terms energy: -73.052170
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -19.076
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: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -174.194044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.194044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.199594 (E_RNA)
where:
Base-Base interactions energy: -103.592
where: short stacking energy: -50.473
Base-Backbone interact. energy: -0.085
local terms energy: -71.522210
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 1.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -156.926306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.926306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.361268 (E_RNA)
where:
Base-Base interactions energy: -98.259
where: short stacking energy: -52.486
Base-Backbone interact. energy: -0.140
local terms energy: -59.962532
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -6.804
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 1.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -153.780156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.780156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.870077 (E_RNA)
where:
Base-Base interactions energy: -98.100
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.121
local terms energy: -55.648567
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -9.847
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: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -146.748667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.748667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.782813 (E_RNA)
where:
Base-Base interactions energy: -91.969
where: short stacking energy: -51.546
Base-Backbone interact. energy: 1.612
local terms energy: -56.425133
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -4.853
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: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -160.155903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.155903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.223424 (E_RNA)
where:
Base-Base interactions energy: -102.953
where: short stacking energy: -62.129
Base-Backbone interact. energy: 2.022
local terms energy: -59.292695
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -15.109
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: 245
Temperature: 0.900000
Total energy: -243.445633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.445633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.455269 (E_RNA)
where:
Base-Base interactions energy: -158.076
where: short stacking energy: -81.798
Base-Backbone interact. energy: -0.000
local terms energy: -85.379263
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -24.162
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: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -238.347988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.347988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.604430 (E_RNA)
where:
Base-Base interactions energy: -151.511
where: short stacking energy: -84.784
Base-Backbone interact. energy: -0.017
local terms energy: -87.076459
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -23.370
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: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -207.974943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.974943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.974943 (E_RNA)
where:
Base-Base interactions energy: -132.373
where: short stacking energy: -71.609
Base-Backbone interact. energy: -0.561
local terms energy: -75.040497
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -17.483
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: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -201.643688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.643688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.281990 (E_RNA)
where:
Base-Base interactions energy: -134.321
where: short stacking energy: -67.525
Base-Backbone interact. energy: 0.231
local terms energy: -68.192161
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -7.026
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -17.311
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: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -178.291689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.291689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.331841 (E_RNA)
where:
Base-Base interactions energy: -110.352
where: short stacking energy: -69.234
Base-Backbone interact. energy: -0.054
local terms energy: -67.925289
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -16.262
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: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -159.307306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.307306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.327818 (E_RNA)
where:
Base-Base interactions energy: -93.833
where: short stacking energy: -46.167
Base-Backbone interact. energy: -0.887
local terms energy: -66.607786
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -8.946
Dist. restrs. and SS energy: 2.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -174.057754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.057754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.089153 (E_RNA)
where:
Base-Base interactions energy: -107.379
where: short stacking energy: -68.436
Base-Backbone interact. energy: -0.769
local terms energy: -65.940656
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -7.593
tors. eta vs tors. theta energy: -13.957
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: 245
Temperature: 1.250000
Total energy: -156.949309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.949309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.087502 (E_RNA)
where:
Base-Base interactions energy: -90.336
where: short stacking energy: -49.725
Base-Backbone interact. energy: 0.821
local terms energy: -67.573308
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -11.916
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: 8
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -160.847855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.847855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.984075 (E_RNA)
where:
Base-Base interactions energy: -84.640
where: short stacking energy: -49.431
Base-Backbone interact. energy: 0.014
local terms energy: -76.358157
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -9.830
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: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -149.078480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.078480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.350972 (E_RNA)
where:
Base-Base interactions energy: -89.667
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.018
local terms energy: -59.665806
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -7.748
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: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -245.042512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.042512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.042512 (E_RNA)
where:
Base-Base interactions energy: -161.515
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.894
local terms energy: -82.632879
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: -0.000 (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: 246
Temperature: 0.950000
Total energy: -231.144585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.144585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.348825 (E_RNA)
where:
Base-Base interactions energy: -151.693
where: short stacking energy: -85.766
Base-Backbone interact. energy: -0.000
local terms energy: -79.655836
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -22.345
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: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -222.141761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.141761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.100464 (E_RNA)
where:
Base-Base interactions energy: -145.999
where: short stacking energy: -84.667
Base-Backbone interact. energy: -0.034
local terms energy: -77.068409
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -194.139215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.139215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.118211 (E_RNA)
where:
Base-Base interactions energy: -119.320
where: short stacking energy: -65.223
Base-Backbone interact. energy: -0.524
local terms energy: -75.274752
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -14.791
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -176.437821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.437821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.599162 (E_RNA)
where:
Base-Base interactions energy: -112.049
where: short stacking energy: -67.016
Base-Backbone interact. energy: -0.048
local terms energy: -64.502393
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -13.826
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: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -194.649416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.649416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.495214 (E_RNA)
where:
Base-Base interactions energy: -121.429
where: short stacking energy: -65.540
Base-Backbone interact. energy: 0.279
local terms energy: -74.344705
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.846 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -151.584584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.584584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.871620 (E_RNA)
where:
Base-Base interactions energy: -95.666
where: short stacking energy: -45.752
Base-Backbone interact. energy: -0.126
local terms energy: -56.078923
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -6.784
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: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -165.843007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.843007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.843007 (E_RNA)
where:
Base-Base interactions energy: -96.057
where: short stacking energy: -55.032
Base-Backbone interact. energy: -0.001
local terms energy: -69.784684
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -11.786
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: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -160.283728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.283728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.531650 (E_RNA)
where:
Base-Base interactions energy: -96.950
where: short stacking energy: -57.662
Base-Backbone interact. energy: -0.181
local terms energy: -63.400996
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -9.726
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: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -164.282423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.282423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.439097 (E_RNA)
where:
Base-Base interactions energy: -99.391
where: short stacking energy: -58.223
Base-Backbone interact. energy: -1.608
local terms energy: -63.439884
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -12.603
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: 247
Temperature: 0.900000
Total energy: -242.359710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.359710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.370534 (E_RNA)
where:
Base-Base interactions energy: -161.963
where: short stacking energy: -85.499
Base-Backbone interact. energy: -0.000
local terms energy: -80.407640
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -20.728
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: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -230.866242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.866242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.880326 (E_RNA)
where:
Base-Base interactions energy: -147.966
where: short stacking energy: -73.100
Base-Backbone interact. energy: -0.386
local terms energy: -82.528541
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -19.344
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: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -209.762294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.762294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.174697 (E_RNA)
where:
Base-Base interactions energy: -134.844
where: short stacking energy: -76.841
Base-Backbone interact. energy: -0.255
local terms energy: -76.076048
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 1.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -193.597871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.597871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.602108 (E_RNA)
where:
Base-Base interactions energy: -121.033
where: short stacking energy: -73.146
Base-Backbone interact. energy: -0.057
local terms energy: -72.511356
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -21.285
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: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -183.650053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.650053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.815708 (E_RNA)
where:
Base-Base interactions energy: -101.292
where: short stacking energy: -61.767
Base-Backbone interact. energy: -0.095
local terms energy: -82.428387
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -17.425
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: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -185.201794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.201794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.628556 (E_RNA)
where:
Base-Base interactions energy: -109.446
where: short stacking energy: -68.914
Base-Backbone interact. energy: -0.267
local terms energy: -75.915747
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -19.352
Dist. restrs. and SS energy: 0.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -160.847930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.847930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.929841 (E_RNA)
where:
Base-Base interactions energy: -98.435
where: short stacking energy: -55.072
Base-Backbone interact. energy: 1.512
local terms energy: -64.006741
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -10.747
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: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -177.455806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.455806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.580920 (E_RNA)
where:
Base-Base interactions energy: -106.504
where: short stacking energy: -58.433
Base-Backbone interact. energy: 0.672
local terms energy: -71.749051
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -12.014
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: 247
Temperature: 1.300000
Total energy: -155.495653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.495653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.540886 (E_RNA)
where:
Base-Base interactions energy: -95.532
where: short stacking energy: -60.765
Base-Backbone interact. energy: -0.130
local terms energy: -59.878933
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -11.347
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: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -164.072944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.072944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.603822 (E_RNA)
where:
Base-Base interactions energy: -108.750
where: short stacking energy: -55.658
Base-Backbone interact. energy: -0.379
local terms energy: -55.475097
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -9.037
Dist. restrs. and SS energy: 0.531 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -247.616503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.616503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.202858 (E_RNA)
where:
Base-Base interactions energy: -164.292
where: short stacking energy: -89.397
Base-Backbone interact. energy: -0.279
local terms energy: -84.631595
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 1.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -239.585758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.585758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.634823 (E_RNA)
where:
Base-Base interactions energy: -157.692
where: short stacking energy: -89.095
Base-Backbone interact. energy: -0.422
local terms energy: -81.520000
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -23.102
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: 248
Temperature: 1.000000
Total energy: -221.407626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.407626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.346496 (E_RNA)
where:
Base-Base interactions energy: -142.263
where: short stacking energy: -77.722
Base-Backbone interact. energy: -0.538
local terms energy: -79.545780
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -22.136
Dist. restrs. and SS energy: 0.939 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -199.923230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.923230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.950570 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -79.675
Base-Backbone interact. energy: -0.013
local terms energy: -69.149825
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -19.572
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: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -180.920686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.920686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.987768 (E_RNA)
where:
Base-Base interactions energy: -108.855
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.429
local terms energy: -71.702978
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -18.968
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: 248
Temperature: 1.150000
Total energy: -191.849659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.849659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.863843 (E_RNA)
where:
Base-Base interactions energy: -119.854
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.001
local terms energy: -72.008834
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -17.537
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: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -165.044605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.044605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.218869 (E_RNA)
where:
Base-Base interactions energy: -104.282
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.363
local terms energy: -60.573332
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -12.431
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: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -167.516082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.516082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.685451 (E_RNA)
where:
Base-Base interactions energy: -96.020
where: short stacking energy: -58.885
Base-Backbone interact. energy: -0.942
local terms energy: -70.723550
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -156.042495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.042495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.315057 (E_RNA)
where:
Base-Base interactions energy: -89.470
where: short stacking energy: -48.917
Base-Backbone interact. energy: -0.123
local terms energy: -66.722427
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -6.922
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: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -143.041326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.041326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.246317 (E_RNA)
where:
Base-Base interactions energy: -81.890
where: short stacking energy: -39.751
Base-Backbone interact. energy: 1.226
local terms energy: -62.582245
where:
bonds (distance) C4'-P energy: -13.628
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -241.088741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.088741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.088741 (E_RNA)
where:
Base-Base interactions energy: -159.014
where: short stacking energy: -84.410
Base-Backbone interact. energy: -0.000
local terms energy: -82.074609
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: -0.000 (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: 249
Temperature: 0.950000
Total energy: -240.384928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.384928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.445340 (E_RNA)
where:
Base-Base interactions energy: -162.847
where: short stacking energy: -90.632
Base-Backbone interact. energy: -0.297
local terms energy: -77.300953
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -19.812
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: 249
Temperature: 1.000000
Total energy: -236.145254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.145254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.728306 (E_RNA)
where:
Base-Base interactions energy: -155.537
where: short stacking energy: -80.669
Base-Backbone interact. energy: -1.396
local terms energy: -80.794675
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -21.655
Dist. restrs. and SS energy: 1.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -179.633112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.633112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.670088 (E_RNA)
where:
Base-Base interactions energy: -107.209
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.336
local terms energy: -72.125289
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -16.350
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: 249
Temperature: 1.100000
Total energy: -178.389752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.389752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.468643 (E_RNA)
where:
Base-Base interactions energy: -122.475
where: short stacking energy: -60.837
Base-Backbone interact. energy: 0.224
local terms energy: -56.218052
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -11.155
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: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -163.921194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.921194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.703554 (E_RNA)
where:
Base-Base interactions energy: -102.280
where: short stacking energy: -60.397
Base-Backbone interact. energy: -0.001
local terms energy: -62.422243
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -175.481941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.481941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.501244 (E_RNA)
where:
Base-Base interactions energy: -108.471
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.120
local terms energy: -66.910301
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -15.089
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: 249
Temperature: 1.250000
Total energy: -163.618478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.618478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.275977 (E_RNA)
where:
Base-Base interactions energy: -101.533
where: short stacking energy: -48.867
Base-Backbone interact. energy: -0.003
local terms energy: -62.739909
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -157.395695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.395695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.424555 (E_RNA)
where:
Base-Base interactions energy: -99.143
where: short stacking energy: -53.648
Base-Backbone interact. energy: -0.163
local terms energy: -58.118763
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -12.730
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: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -141.102935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.102935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.253049 (E_RNA)
where:
Base-Base interactions energy: -84.760
where: short stacking energy: -44.395
Base-Backbone interact. energy: -0.426
local terms energy: -56.066419
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -5.084
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: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -240.512476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.512476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.547662 (E_RNA)
where:
Base-Base interactions energy: -157.646
where: short stacking energy: -90.428
Base-Backbone interact. energy: -0.002
local terms energy: -82.900210
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -20.183
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: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -239.139195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.139195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.253044 (E_RNA)
where:
Base-Base interactions energy: -157.458
where: short stacking energy: -85.053
Base-Backbone interact. energy: -0.002
local terms energy: -81.793379
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -22.006
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: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -230.822565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.822565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.310218 (E_RNA)
where:
Base-Base interactions energy: -156.346
where: short stacking energy: -82.480
Base-Backbone interact. energy: -0.016
local terms energy: -75.948986
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 1.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -180.461204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.461204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.461204 (E_RNA)
where:
Base-Base interactions energy: -102.771
where: short stacking energy: -61.436
Base-Backbone interact. energy: 2.118
local terms energy: -79.808118
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (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: 250
Temperature: 1.100000
Total energy: -199.111453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.111453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.298671 (E_RNA)
where:
Base-Base interactions energy: -121.554
where: short stacking energy: -64.942
Base-Backbone interact. energy: 0.267
local terms energy: -78.011031
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -16.860
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: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -177.012622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.012622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.829042 (E_RNA)
where:
Base-Base interactions energy: -107.706
where: short stacking energy: -62.618
Base-Backbone interact. energy: -0.377
local terms energy: -69.745807
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -165.663224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.663224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.858776 (E_RNA)
where:
Base-Base interactions energy: -100.838
where: short stacking energy: -47.881
Base-Backbone interact. energy: -0.093
local terms energy: -64.927384
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -179.581815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.581815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.620323 (E_RNA)
where:
Base-Base interactions energy: -109.068
where: short stacking energy: -63.880
Base-Backbone interact. energy: -0.729
local terms energy: -69.823079
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -12.090
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: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -159.609563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.609563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.982690 (E_RNA)
where:
Base-Base interactions energy: -93.447
where: short stacking energy: -50.845
Base-Backbone interact. energy: 0.935
local terms energy: -67.471129
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -146.993761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.993761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.015114 (E_RNA)
where:
Base-Base interactions energy: -84.691
where: short stacking energy: -46.373
Base-Backbone interact. energy: 1.726
local terms energy: -64.050655
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -9.917
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -11.496
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: 251
Temperature: 0.900000
Total energy: -244.490971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.490971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.545894 (E_RNA)
where:
Base-Base interactions energy: -158.244
where: short stacking energy: -87.886
Base-Backbone interact. energy: -0.001
local terms energy: -86.300805
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -20.842
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: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -236.418377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.418377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.978841 (E_RNA)
where:
Base-Base interactions energy: -156.655
where: short stacking energy: -86.133
Base-Backbone interact. energy: -0.006
local terms energy: -80.317483
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -229.705675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.705675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.615180 (E_RNA)
where:
Base-Base interactions energy: -155.112
where: short stacking energy: -86.736
Base-Backbone interact. energy: 0.221
local terms energy: -76.723779
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 1.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -211.034193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.034193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.867458 (E_RNA)
where:
Base-Base interactions energy: -134.513
where: short stacking energy: -68.569
Base-Backbone interact. energy: -0.017
local terms energy: -77.337009
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -167.597334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.597334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.597334 (E_RNA)
where:
Base-Base interactions energy: -108.544
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.475
local terms energy: -58.578405
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (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: 251
Temperature: 1.150000
Total energy: -160.780637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.780637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.780637 (E_RNA)
where:
Base-Base interactions energy: -96.535
where: short stacking energy: -50.192
Base-Backbone interact. energy: -0.078
local terms energy: -64.167982
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: -0.000 (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: 251
Temperature: 1.200000
Total energy: -166.806024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.806024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.194874 (E_RNA)
where:
Base-Base interactions energy: -98.295
where: short stacking energy: -44.384
Base-Backbone interact. energy: -0.180
local terms energy: -68.719491
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -8.279
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -161.580860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.580860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.087499 (E_RNA)
where:
Base-Base interactions energy: -96.272
where: short stacking energy: -49.304
Base-Backbone interact. energy: -0.808
local terms energy: -65.007199
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -10.289
Dist. restrs. and SS energy: 0.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -154.946996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.946996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.982982 (E_RNA)
where:
Base-Base interactions energy: -93.452
where: short stacking energy: -53.029
Base-Backbone interact. energy: -0.538
local terms energy: -60.993219
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -11.991
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: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -160.338015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.338015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.457735 (E_RNA)
where:
Base-Base interactions energy: -96.034
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.006
local terms energy: -64.417578
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -12.919
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: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -247.231640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.231640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.231640 (E_RNA)
where:
Base-Base interactions energy: -164.856
where: short stacking energy: -87.295
Base-Backbone interact. energy: -0.256
local terms energy: -82.120076
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: -0.000 (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: 252
Temperature: 0.950000
Total energy: -238.140228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.140228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.199701 (E_RNA)
where:
Base-Base interactions energy: -154.275
where: short stacking energy: -83.772
Base-Backbone interact. energy: -0.412
local terms energy: -83.512517
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -22.278
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: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -210.720854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.720854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.763422 (E_RNA)
where:
Base-Base interactions energy: -128.677
where: short stacking energy: -74.442
Base-Backbone interact. energy: -0.284
local terms energy: -81.802366
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -24.296
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: 6
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -232.296510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.296510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.419479 (E_RNA)
where:
Base-Base interactions energy: -158.852
where: short stacking energy: -83.902
Base-Backbone interact. energy: -0.101
local terms energy: -73.467085
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -169.412471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.412471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.442425 (E_RNA)
where:
Base-Base interactions energy: -90.129
where: short stacking energy: -48.447
Base-Backbone interact. energy: -0.603
local terms energy: -78.710241
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -15.337
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: 252
Temperature: 1.150000
Total energy: -172.255944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.255944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.565127 (E_RNA)
where:
Base-Base interactions energy: -105.629
where: short stacking energy: -63.618
Base-Backbone interact. energy: 1.084
local terms energy: -68.020316
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -13.309
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: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -166.330592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.330592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.704801 (E_RNA)
where:
Base-Base interactions energy: -99.890
where: short stacking energy: -52.314
Base-Backbone interact. energy: -0.024
local terms energy: -66.790798
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -165.348778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.348778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.377592 (E_RNA)
where:
Base-Base interactions energy: -99.253
where: short stacking energy: -58.279
Base-Backbone interact. energy: -0.153
local terms energy: -65.971761
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -13.431
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: 252
Temperature: 1.300000
Total energy: -159.403418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.403418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.440735 (E_RNA)
where:
Base-Base interactions energy: -102.356
where: short stacking energy: -62.282
Base-Backbone interact. energy: -0.329
local terms energy: -56.755389
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -10.174
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -13.798
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: 252
Temperature: 1.350000
Total energy: -169.969547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.969547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.282134 (E_RNA)
where:
Base-Base interactions energy: -105.290
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.040
local terms energy: -64.952484
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -14.724
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: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -242.282923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.282923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.282923 (E_RNA)
where:
Base-Base interactions energy: -158.584
where: short stacking energy: -90.688
Base-Backbone interact. energy: -0.076
local terms energy: -83.622699
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -21.729
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: 2, replica: 3
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -248.330832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.330832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.355402 (E_RNA)
where:
Base-Base interactions energy: -164.856
where: short stacking energy: -88.710
Base-Backbone interact. energy: -0.282
local terms energy: -83.217247
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -24.855
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: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -209.405467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.405467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.405467 (E_RNA)
where:
Base-Base interactions energy: -131.716
where: short stacking energy: -69.045
Base-Backbone interact. energy: -0.103
local terms energy: -77.586867
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.260
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -19.359
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: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -208.372113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.372113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.655962 (E_RNA)
where:
Base-Base interactions energy: -131.182
where: short stacking energy: -80.473
Base-Backbone interact. energy: -0.188
local terms energy: -77.286520
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -168.396631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.396631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.443765 (E_RNA)
where:
Base-Base interactions energy: -101.603
where: short stacking energy: -42.499
Base-Backbone interact. energy: -0.555
local terms energy: -66.286091
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -14.380
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: 253
Temperature: 1.150000
Total energy: -189.771430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.771430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.048809 (E_RNA)
where:
Base-Base interactions energy: -116.139
where: short stacking energy: -63.156
Base-Backbone interact. energy: -0.214
local terms energy: -73.695861
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -169.471025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.471025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.539192 (E_RNA)
where:
Base-Base interactions energy: -102.941
where: short stacking energy: -64.397
Base-Backbone interact. energy: -0.033
local terms energy: -66.564869
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -10.486
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: 8
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -169.826488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.826488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.049412 (E_RNA)
where:
Base-Base interactions energy: -105.388
where: short stacking energy: -67.356
Base-Backbone interact. energy: 0.303
local terms energy: -64.963867
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -16.636
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: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -153.248563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.248563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.369496 (E_RNA)
where:
Base-Base interactions energy: -97.412
where: short stacking energy: -56.563
Base-Backbone interact. energy: -0.769
local terms energy: -55.188659
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -7.533
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -11.172
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: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -157.556410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.556410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.674249 (E_RNA)
where:
Base-Base interactions energy: -99.495
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.021
local terms energy: -58.157539
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -7.785
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -10.007
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: 254
Temperature: 0.900000
Total energy: -243.769987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.769987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.781342 (E_RNA)
where:
Base-Base interactions energy: -160.705
where: short stacking energy: -89.470
Base-Backbone interact. energy: -0.002
local terms energy: -83.074467
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -22.513
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: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -236.788306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.788306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.437611 (E_RNA)
where:
Base-Base interactions energy: -154.886
where: short stacking energy: -84.386
Base-Backbone interact. energy: -0.028
local terms energy: -83.523468
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 1.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -222.303125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.303125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.719172 (E_RNA)
where:
Base-Base interactions energy: -144.742
where: short stacking energy: -76.565
Base-Backbone interact. energy: -0.043
local terms energy: -77.934591
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -19.378
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -196.257620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.257620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.855621 (E_RNA)
where:
Base-Base interactions energy: -125.851
where: short stacking energy: -62.370
Base-Backbone interact. energy: 0.681
local terms energy: -71.686231
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -180.366486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.366486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.907973 (E_RNA)
where:
Base-Base interactions energy: -109.189
where: short stacking energy: -53.413
Base-Backbone interact. energy: -0.814
local terms energy: -70.905857
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -165.102303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.102303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.133809 (E_RNA)
where:
Base-Base interactions energy: -91.052
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.952
local terms energy: -73.129828
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -13.009
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: 254
Temperature: 1.200000
Total energy: -190.076531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.076531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.076531 (E_RNA)
where:
Base-Base interactions energy: -120.643
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.450
local terms energy: -68.983703
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (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: 254
Temperature: 1.250000
Total energy: -146.414131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.414131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.486730 (E_RNA)
where:
Base-Base interactions energy: -91.694
where: short stacking energy: -41.840
Base-Backbone interact. energy: -0.414
local terms energy: -54.378652
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -5.796
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: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -154.681768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.681768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.792218 (E_RNA)
where:
Base-Base interactions energy: -97.731
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.251
local terms energy: -56.810687
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -152.147596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.147596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.920638 (E_RNA)
where:
Base-Base interactions energy: -90.138
where: short stacking energy: -55.182
Base-Backbone interact. energy: 0.032
local terms energy: -62.814552
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -12.051
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: 9
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -234.668524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.668524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.724952 (E_RNA)
where:
Base-Base interactions energy: -153.443
where: short stacking energy: -84.978
Base-Backbone interact. energy: -0.521
local terms energy: -80.760617
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -20.286
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: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -237.809790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.809790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.841520 (E_RNA)
where:
Base-Base interactions energy: -153.011
where: short stacking energy: -91.065
Base-Backbone interact. energy: -0.004
local terms energy: -84.825986
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -18.448
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -23.194
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: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -214.896049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.896049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.690120 (E_RNA)
where:
Base-Base interactions energy: -136.359
where: short stacking energy: -80.129
Base-Backbone interact. energy: -0.009
local terms energy: -79.322659
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -175.884493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.884493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.087857 (E_RNA)
where:
Base-Base interactions energy: -113.101
where: short stacking energy: -68.946
Base-Backbone interact. energy: -0.114
local terms energy: -63.872893
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 1.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -184.084867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.084867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.120445 (E_RNA)
where:
Base-Base interactions energy: -112.863
where: short stacking energy: -72.208
Base-Backbone interact. energy: -0.001
local terms energy: -71.256306
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -14.604
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: 255
Temperature: 1.150000
Total energy: -198.926416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.926416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.976419 (E_RNA)
where:
Base-Base interactions energy: -124.456
where: short stacking energy: -72.051
Base-Backbone interact. energy: -0.041
local terms energy: -74.479634
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -12.156
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: 7, replica: 10
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -164.811260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.811260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.332498 (E_RNA)
where:
Base-Base interactions energy: -102.201
where: short stacking energy: -54.768
Base-Backbone interact. energy: -0.094
local terms energy: -63.037119
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -14.255
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: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -159.199501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.199501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.363707 (E_RNA)
where:
Base-Base interactions energy: -93.485
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.155
local terms energy: -65.724250
where:
bonds (distance) C4'-P energy: -14.312
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -9.132
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: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -153.100968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.100968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.255777 (E_RNA)
where:
Base-Base interactions energy: -84.911
where: short stacking energy: -47.490
Base-Backbone interact. energy: -0.466
local terms energy: -67.878399
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -9.842
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: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -144.081224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.081224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.141453 (E_RNA)
where:
Base-Base interactions energy: -84.141
where: short stacking energy: -42.925
Base-Backbone interact. energy: -0.261
local terms energy: -59.739921
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -8.095
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: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -237.418904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.418904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.469668 (E_RNA)
where:
Base-Base interactions energy: -159.463
where: short stacking energy: -84.662
Base-Backbone interact. energy: -0.006
local terms energy: -79.000336
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 1.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -233.613158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.613158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.646997 (E_RNA)
where:
Base-Base interactions energy: -158.938
where: short stacking energy: -83.249
Base-Backbone interact. energy: -0.001
local terms energy: -74.707686
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -19.499
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: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -190.539095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.539095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.907755 (E_RNA)
where:
Base-Base interactions energy: -119.833
where: short stacking energy: -73.938
Base-Backbone interact. energy: -0.043
local terms energy: -72.032119
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 1.369 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -207.683094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.683094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.702131 (E_RNA)
where:
Base-Base interactions energy: -135.716
where: short stacking energy: -75.738
Base-Backbone interact. energy: -0.791
local terms energy: -71.195437
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -18.907
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: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -179.189574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.189574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.324725 (E_RNA)
where:
Base-Base interactions energy: -107.166
where: short stacking energy: -62.468
Base-Backbone interact. energy: -0.041
local terms energy: -72.117638
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -19.102
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -189.824822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.824822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.390140 (E_RNA)
where:
Base-Base interactions energy: -122.446
where: short stacking energy: -68.098
Base-Backbone interact. energy: -0.000
local terms energy: -67.944208
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -164.031087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.031087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.118584 (E_RNA)
where:
Base-Base interactions energy: -97.781
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.180
local terms energy: -66.158354
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -12.578
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: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -162.391543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.391543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.426549 (E_RNA)
where:
Base-Base interactions energy: -104.572
where: short stacking energy: -54.227
Base-Backbone interact. energy: -0.048
local terms energy: -57.806659
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -12.768
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: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -149.632132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.632132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.717317 (E_RNA)
where:
Base-Base interactions energy: -93.195
where: short stacking energy: -49.460
Base-Backbone interact. energy: -0.253
local terms energy: -56.269300
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -5.776
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: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -157.196423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.196423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.414354 (E_RNA)
where:
Base-Base interactions energy: -92.599
where: short stacking energy: -49.916
Base-Backbone interact. energy: -0.067
local terms energy: -64.748829
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -11.462
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: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -240.426709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.426709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.126874 (E_RNA)
where:
Base-Base interactions energy: -157.434
where: short stacking energy: -82.556
Base-Backbone interact. energy: -0.000
local terms energy: -83.693038
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.700 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -238.785956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.785956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.900169 (E_RNA)
where:
Base-Base interactions energy: -160.132
where: short stacking energy: -83.600
Base-Backbone interact. energy: -0.001
local terms energy: -78.767510
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -21.670
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: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -192.442728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.442728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.466577 (E_RNA)
where:
Base-Base interactions energy: -117.746
where: short stacking energy: -60.053
Base-Backbone interact. energy: -0.641
local terms energy: -74.079797
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -12.028
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: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -171.635391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.635391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.902515 (E_RNA)
where:
Base-Base interactions energy: -100.122
where: short stacking energy: -56.286
Base-Backbone interact. energy: -0.037
local terms energy: -71.743172
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -188.462498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.462498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.481714 (E_RNA)
where:
Base-Base interactions energy: -123.678
where: short stacking energy: -66.657
Base-Backbone interact. energy: -0.051
local terms energy: -64.753137
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -16.078
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: 257
Temperature: 1.150000
Total energy: -174.132750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.132750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.173718 (E_RNA)
where:
Base-Base interactions energy: -109.331
where: short stacking energy: -65.758
Base-Backbone interact. energy: -0.027
local terms energy: -64.815838
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -11.405
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: 8
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -186.045907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.045907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.831085 (E_RNA)
where:
Base-Base interactions energy: -120.436
where: short stacking energy: -68.323
Base-Backbone interact. energy: -0.816
local terms energy: -65.579062
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -164.170042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.170042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.666300 (E_RNA)
where:
Base-Base interactions energy: -97.092
where: short stacking energy: -61.257
Base-Backbone interact. energy: 1.145
local terms energy: -68.719613
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -163.399220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.399220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.429456 (E_RNA)
where:
Base-Base interactions energy: -94.163
where: short stacking energy: -51.856
Base-Backbone interact. energy: -0.809
local terms energy: -68.457850
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -12.813
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: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -180.605310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.605310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.790778 (E_RNA)
where:
Base-Base interactions energy: -113.648
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.687
local terms energy: -66.455307
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -17.355
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: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -243.803016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.803016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.882829 (E_RNA)
where:
Base-Base interactions energy: -166.142
where: short stacking energy: -78.429
Base-Backbone interact. energy: -0.230
local terms energy: -79.510396
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 2.080 (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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -235.170099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.170099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.360768 (E_RNA)
where:
Base-Base interactions energy: -156.494
where: short stacking energy: -87.000
Base-Backbone interact. energy: -0.011
local terms energy: -79.855465
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -22.508
Dist. restrs. and SS energy: 1.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -183.715384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.715384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.724329 (E_RNA)
where:
Base-Base interactions energy: -108.218
where: short stacking energy: -70.654
Base-Backbone interact. energy: -0.016
local terms energy: -75.490576
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -12.629
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: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -178.064164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.064164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.327195 (E_RNA)
where:
Base-Base interactions energy: -109.179
where: short stacking energy: -64.399
Base-Backbone interact. energy: 0.598
local terms energy: -69.746337
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -11.783
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: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -174.879618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.879618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.992595 (E_RNA)
where:
Base-Base interactions energy: -111.299
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.424
local terms energy: -63.269883
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -10.484
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: 3
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -191.230255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.230255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.230990 (E_RNA)
where:
Base-Base interactions energy: -119.274
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.121
local terms energy: -71.835231
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -17.245
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: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -163.412858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.412858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.673314 (E_RNA)
where:
Base-Base interactions energy: -97.701
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.397
local terms energy: -65.575000
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -5.465
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -168.734927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.734927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.783944 (E_RNA)
where:
Base-Base interactions energy: -96.482
where: short stacking energy: -54.003
Base-Backbone interact. energy: -0.960
local terms energy: -71.342191
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -14.336
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: 258
Temperature: 1.300000
Total energy: -156.043044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.043044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.144699 (E_RNA)
where:
Base-Base interactions energy: -94.606
where: short stacking energy: -51.763
Base-Backbone interact. energy: -0.010
local terms energy: -61.528895
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -8.831
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: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -150.573844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.573844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.674997 (E_RNA)
where:
Base-Base interactions energy: -82.694
where: short stacking energy: -48.502
Base-Backbone interact. energy: 0.725
local terms energy: -68.705577
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -11.798
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: 259
Temperature: 0.900000
Total energy: -243.100751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.100751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.779534 (E_RNA)
where:
Base-Base interactions energy: -160.589
where: short stacking energy: -71.701
Base-Backbone interact. energy: -0.301
local terms energy: -82.889783
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -236.452156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.452156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.263251 (E_RNA)
where:
Base-Base interactions energy: -155.715
where: short stacking energy: -84.456
Base-Backbone interact. energy: -0.001
local terms energy: -82.547222
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -23.376
Dist. restrs. and SS energy: 1.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -179.389388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.389388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.585174 (E_RNA)
where:
Base-Base interactions energy: -104.104
where: short stacking energy: -63.302
Base-Backbone interact. energy: -0.138
local terms energy: -75.342730
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -15.142
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: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -182.583814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.583814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.801669 (E_RNA)
where:
Base-Base interactions energy: -108.467
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.004
local terms energy: -74.331154
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -15.993
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: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -170.471577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.471577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.680699 (E_RNA)
where:
Base-Base interactions energy: -99.815
where: short stacking energy: -59.724
Base-Backbone interact. energy: -0.300
local terms energy: -70.565763
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -177.876714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.876714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.970659 (E_RNA)
where:
Base-Base interactions energy: -108.563
where: short stacking energy: -56.268
Base-Backbone interact. energy: -0.019
local terms energy: -69.388684
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -173.298524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.298524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.406842 (E_RNA)
where:
Base-Base interactions energy: -110.912
where: short stacking energy: -62.709
Base-Backbone interact. energy: -0.497
local terms energy: -62.997721
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 1.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -164.157954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.157954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.124757 (E_RNA)
where:
Base-Base interactions energy: -95.321
where: short stacking energy: -57.617
Base-Backbone interact. energy: -0.336
local terms energy: -69.467092
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.947
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.967 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -146.395937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.395937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.493881 (E_RNA)
where:
Base-Base interactions energy: -91.939
where: short stacking energy: -47.764
Base-Backbone interact. energy: -0.181
local terms energy: -54.374275
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -5.095
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: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -146.094246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.094246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.095974 (E_RNA)
where:
Base-Base interactions energy: -86.949
where: short stacking energy: -47.568
Base-Backbone interact. energy: -0.428
local terms energy: -58.718986
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -6.920
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: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -243.075021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.075021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.631688 (E_RNA)
where:
Base-Base interactions energy: -161.067
where: short stacking energy: -88.936
Base-Backbone interact. energy: -1.781
local terms energy: -81.783681
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -237.205259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.205259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.079254 (E_RNA)
where:
Base-Base interactions energy: -158.927
where: short stacking energy: -69.273
Base-Backbone interact. energy: -1.910
local terms energy: -77.242192
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.874 (S_DIST_RNA)
chem. 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: -193.848628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.848628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.886695 (E_RNA)
where:
Base-Base interactions energy: -114.171
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.021
local terms energy: -79.694637
where:
bonds (distance) C4'-P energy: -13.671
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -16.955
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: 260
Temperature: 1.050000
Total energy: -182.490637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.490637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.542036 (E_RNA)
where:
Base-Base interactions energy: -114.891
where: short stacking energy: -69.661
Base-Backbone interact. energy: -0.055
local terms energy: -67.596350
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -15.488
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: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -206.889398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.889398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.908919 (E_RNA)
where:
Base-Base interactions energy: -134.461
where: short stacking energy: -79.352
Base-Backbone interact. energy: -0.605
local terms energy: -71.842805
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -21.519
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: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -173.370356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.370356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.955891 (E_RNA)
where:
Base-Base interactions energy: -105.017
where: short stacking energy: -68.014
Base-Backbone interact. energy: -0.710
local terms energy: -68.229209
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -171.655618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.655618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.480938 (E_RNA)
where:
Base-Base interactions energy: -107.642
where: short stacking energy: -53.683
Base-Backbone interact. energy: -0.198
local terms energy: -64.640710
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -10.901
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -158.480124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.480124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.533183 (E_RNA)
where:
Base-Base interactions energy: -101.465
where: short stacking energy: -60.940
Base-Backbone interact. energy: 1.551
local terms energy: -58.619322
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -11.759
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: 260
Temperature: 1.300000
Total energy: -160.871311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.871311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.034025 (E_RNA)
where:
Base-Base interactions energy: -101.595
where: short stacking energy: -48.613
Base-Backbone interact. energy: -0.699
local terms energy: -58.740974
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -10.949
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: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -150.917039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.917039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.124869 (E_RNA)
where:
Base-Base interactions energy: -84.235
where: short stacking energy: -46.361
Base-Backbone interact. energy: -0.065
local terms energy: -66.824307
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -11.780
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -234.316206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.316206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.439228 (E_RNA)
where:
Base-Base interactions energy: -153.235
where: short stacking energy: -81.658
Base-Backbone interact. energy: 0.042
local terms energy: -81.246014
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -20.133
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: 261
Temperature: 0.950000
Total energy: -226.454965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.454965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.302449 (E_RNA)
where:
Base-Base interactions energy: -148.090
where: short stacking energy: -63.081
Base-Backbone interact. energy: -0.616
local terms energy: -79.596781
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 1.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -188.371091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.371091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.371091 (E_RNA)
where:
Base-Base interactions energy: -115.363
where: short stacking energy: -67.684
Base-Backbone interact. energy: -0.042
local terms energy: -72.966633
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.000 (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: 261
Temperature: 1.050000
Total energy: -216.010492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.010492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.010492 (E_RNA)
where:
Base-Base interactions energy: -145.216
where: short stacking energy: -78.820
Base-Backbone interact. energy: -0.611
local terms energy: -70.183206
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -20.951
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: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -188.373683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.373683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.770933 (E_RNA)
where:
Base-Base interactions energy: -115.542
where: short stacking energy: -76.132
Base-Backbone interact. energy: 0.538
local terms energy: -73.767146
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -175.516434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.516434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.551657 (E_RNA)
where:
Base-Base interactions energy: -112.092
where: short stacking energy: -56.774
Base-Backbone interact. energy: -0.202
local terms energy: -63.257337
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -10.172
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: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -176.860911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.860911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.860911 (E_RNA)
where:
Base-Base interactions energy: -120.198
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.047
local terms energy: -56.616073
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (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: 261
Temperature: 1.250000
Total energy: -169.718596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.718596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.847025 (E_RNA)
where:
Base-Base interactions energy: -105.740
where: short stacking energy: -50.833
Base-Backbone interact. energy: -2.835
local terms energy: -61.272134
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -10.685
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: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -152.259296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.259296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.259296 (E_RNA)
where:
Base-Base interactions energy: -98.743
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.056
local terms energy: -53.460412
where:
bonds (distance) C4'-P energy: -5.288
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -6.423
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: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -165.154967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.154967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.299541 (E_RNA)
where:
Base-Base interactions energy: -94.977
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.430
local terms energy: -69.892705
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -11.891
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: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -245.894443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.894443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.990765 (E_RNA)
where:
Base-Base interactions energy: -167.444
where: short stacking energy: -74.373
Base-Backbone interact. energy: -0.886
local terms energy: -78.660386
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 1.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -234.227179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.227179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.251869 (E_RNA)
where:
Base-Base interactions energy: -158.037
where: short stacking energy: -86.662
Base-Backbone interact. energy: -0.099
local terms energy: -76.115860
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -22.986
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: 262
Temperature: 1.000000
Total energy: -190.427848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.427848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.512918 (E_RNA)
where:
Base-Base interactions energy: -113.620
where: short stacking energy: -64.391
Base-Backbone interact. energy: -0.053
local terms energy: -76.840086
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -19.532
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: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -186.448079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.448079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.933611 (E_RNA)
where:
Base-Base interactions energy: -117.587
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.618
local terms energy: -68.728110
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -182.530124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.530124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.683741 (E_RNA)
where:
Base-Base interactions energy: -119.532
where: short stacking energy: -63.154
Base-Backbone interact. energy: -0.075
local terms energy: -63.076510
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -185.106131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.106131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.108484 (E_RNA)
where:
Base-Base interactions energy: -115.831
where: short stacking energy: -72.856
Base-Backbone interact. energy: -0.794
local terms energy: -68.484322
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -16.992
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: 8
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -184.332396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.332396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.457642 (E_RNA)
where:
Base-Base interactions energy: -115.931
where: short stacking energy: -52.599
Base-Backbone interact. energy: 0.077
local terms energy: -68.603978
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -18.332
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: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -160.619919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.619919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.651653 (E_RNA)
where:
Base-Base interactions energy: -93.827
where: short stacking energy: -55.300
Base-Backbone interact. energy: 1.273
local terms energy: -68.097503
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -8.773
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: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -149.327032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.327032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.414547 (E_RNA)
where:
Base-Base interactions energy: -89.181
where: short stacking energy: -48.094
Base-Backbone interact. energy: -0.151
local terms energy: -60.082320
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -8.513
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: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -143.214168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.214168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.589559 (E_RNA)
where:
Base-Base interactions energy: -88.638
where: short stacking energy: -45.671
Base-Backbone interact. energy: -0.354
local terms energy: -54.597643
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -8.238
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -9.853
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: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -244.776683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.776683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.268346 (E_RNA)
where:
Base-Base interactions energy: -162.887
where: short stacking energy: -68.154
Base-Backbone interact. energy: -0.863
local terms energy: -81.517619
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -17.934
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -244.103165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.103165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.140423 (E_RNA)
where:
Base-Base interactions energy: -156.504
where: short stacking energy: -92.849
Base-Backbone interact. energy: -0.575
local terms energy: -87.061866
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -23.619
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: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -181.698923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.698923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.787943 (E_RNA)
where:
Base-Base interactions energy: -109.564
where: short stacking energy: -67.392
Base-Backbone interact. energy: -0.160
local terms energy: -72.064504
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -11.862
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: 263
Temperature: 1.050000
Total energy: -197.063379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.063379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.255685 (E_RNA)
where:
Base-Base interactions energy: -121.079
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.884
local terms energy: -75.292505
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -17.221
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -186.490761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.490761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.720593 (E_RNA)
where:
Base-Base interactions energy: -122.654
where: short stacking energy: -60.790
Base-Backbone interact. energy: -0.007
local terms energy: -66.059515
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 2.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -179.576124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.576124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.752979 (E_RNA)
where:
Base-Base interactions energy: -113.758
where: short stacking energy: -71.272
Base-Backbone interact. energy: -0.015
local terms energy: -65.980769
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -183.183455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.183455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.867142 (E_RNA)
where:
Base-Base interactions energy: -117.573
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.065
local terms energy: -66.229157
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.684 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -163.645434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.645434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.180388 (E_RNA)
where:
Base-Base interactions energy: -101.522
where: short stacking energy: -60.004
Base-Backbone interact. energy: -0.007
local terms energy: -62.651117
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.535 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -164.477731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.477731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.602170 (E_RNA)
where:
Base-Base interactions energy: -103.288
where: short stacking energy: -63.526
Base-Backbone interact. energy: -0.611
local terms energy: -60.702957
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -154.942545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.942545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.942545 (E_RNA)
where:
Base-Base interactions energy: -96.998
where: short stacking energy: -50.240
Base-Backbone interact. energy: -0.577
local terms energy: -57.367284
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (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: 264
Temperature: 0.900000
Total energy: -246.491716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.491716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.497442 (E_RNA)
where:
Base-Base interactions energy: -168.415
where: short stacking energy: -77.233
Base-Backbone interact. energy: -0.072
local terms energy: -80.009909
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 2.006 (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: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -232.330184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.330184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.952569 (E_RNA)
where:
Base-Base interactions energy: -151.821
where: short stacking energy: -75.129
Base-Backbone interact. energy: -0.011
local terms energy: -81.120647
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.622 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -196.073285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.073285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.073285 (E_RNA)
where:
Base-Base interactions energy: -128.401
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.395
local terms energy: -67.277243
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -6.956
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -17.168
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: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -180.043847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.043847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.043847 (E_RNA)
where:
Base-Base interactions energy: -111.523
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.371
local terms energy: -68.148955
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -14.385
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: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -226.232142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.232142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.580087 (E_RNA)
where:
Base-Base interactions energy: -150.313
where: short stacking energy: -80.631
Base-Backbone interact. energy: -0.004
local terms energy: -77.263027
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -20.569
Dist. restrs. and SS energy: 1.348 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -179.584283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.584283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.584283 (E_RNA)
where:
Base-Base interactions energy: -108.011
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.099
local terms energy: -71.473969
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: -0.000 (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: 264
Temperature: 1.200000
Total energy: -184.041329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.041329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.284337 (E_RNA)
where:
Base-Base interactions energy: -117.258
where: short stacking energy: -73.733
Base-Backbone interact. energy: -0.006
local terms energy: -67.020361
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -14.503
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: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -155.510750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.510750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.545620 (E_RNA)
where:
Base-Base interactions energy: -100.559
where: short stacking energy: -51.815
Base-Backbone interact. energy: -0.041
local terms energy: -54.945717
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -12.294
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: 1
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -170.517379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.517379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.517379 (E_RNA)
where:
Base-Base interactions energy: -106.300
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.011
local terms energy: -64.206693
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -17.219
Dist. restrs. and SS energy: 0.000 (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: 264
Temperature: 1.350000
Total energy: -158.510039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.510039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.551236 (E_RNA)
where:
Base-Base interactions energy: -99.669
where: short stacking energy: -48.108
Base-Backbone interact. energy: -0.537
local terms energy: -58.345334
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -11.704
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: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -241.764302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.764302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.279966 (E_RNA)
where:
Base-Base interactions energy: -156.725
where: short stacking energy: -78.288
Base-Backbone interact. energy: -0.250
local terms energy: -85.305052
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -203.535743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.535743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.585964 (E_RNA)
where:
Base-Base interactions energy: -120.280
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.493
local terms energy: -82.813566
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -20.195
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: 265
Temperature: 1.000000
Total energy: -210.073275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.073275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.385270 (E_RNA)
where:
Base-Base interactions energy: -135.350
where: short stacking energy: -66.496
Base-Backbone interact. energy: -0.057
local terms energy: -74.978176
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -224.034156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.034156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.534167 (E_RNA)
where:
Base-Base interactions energy: -151.753
where: short stacking energy: -73.277
Base-Backbone interact. energy: -0.003
local terms energy: -72.778611
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -183.352129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.352129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.352129 (E_RNA)
where:
Base-Base interactions energy: -115.411
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.848
local terms energy: -67.093436
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -17.729
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: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -168.638131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.638131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.745511 (E_RNA)
where:
Base-Base interactions energy: -103.541
where: short stacking energy: -59.953
Base-Backbone interact. energy: -0.026
local terms energy: -65.178868
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -9.351
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: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -148.365096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.365096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.365096 (E_RNA)
where:
Base-Base interactions energy: -91.555
where: short stacking energy: -48.672
Base-Backbone interact. energy: 0.901
local terms energy: -57.711868
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: -0.000 (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: 265
Temperature: 1.250000
Total energy: -162.198867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.198867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.209758 (E_RNA)
where:
Base-Base interactions energy: -101.728
where: short stacking energy: -51.649
Base-Backbone interact. energy: 0.195
local terms energy: -60.676357
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -10.556
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: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -162.285326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.285326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.363102 (E_RNA)
where:
Base-Base interactions energy: -103.819
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.067
local terms energy: -58.477590
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -6.519
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: 265
Temperature: 1.350000
Total energy: -153.026079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.026079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.705351 (E_RNA)
where:
Base-Base interactions energy: -88.344
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.016
local terms energy: -65.345295
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -4.546
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.679 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -234.681342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.681342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.715547 (E_RNA)
where:
Base-Base interactions energy: -154.994
where: short stacking energy: -80.980
Base-Backbone interact. energy: -1.180
local terms energy: -78.541496
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -22.381
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -193.257456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.257456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.737524 (E_RNA)
where:
Base-Base interactions energy: -127.232
where: short stacking energy: -67.675
Base-Backbone interact. energy: -0.258
local terms energy: -66.246721
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -12.600
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: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -233.074970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.074970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.640480 (E_RNA)
where:
Base-Base interactions energy: -151.438
where: short stacking energy: -82.461
Base-Backbone interact. energy: -0.006
local terms energy: -82.196523
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -190.540329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.540329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.783424 (E_RNA)
where:
Base-Base interactions energy: -117.068
where: short stacking energy: -66.575
Base-Backbone interact. energy: -0.001
local terms energy: -73.714629
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -18.805
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -170.710512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.710512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.738059 (E_RNA)
where:
Base-Base interactions energy: -105.356
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.076
local terms energy: -65.305462
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -13.555
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: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -181.538076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.538076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.992910 (E_RNA)
where:
Base-Base interactions energy: -114.874
where: short stacking energy: -68.311
Base-Backbone interact. energy: -0.057
local terms energy: -67.062616
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -162.554337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.554337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.756912 (E_RNA)
where:
Base-Base interactions energy: -96.240
where: short stacking energy: -52.735
Base-Backbone interact. energy: -0.287
local terms energy: -66.230165
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -6.824
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: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -161.462449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.462449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.885968 (E_RNA)
where:
Base-Base interactions energy: -96.039
where: short stacking energy: -49.825
Base-Backbone interact. energy: -0.300
local terms energy: -65.547612
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.424 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -156.035832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.035832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.222914 (E_RNA)
where:
Base-Base interactions energy: -99.362
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.110
local terms energy: -56.751091
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -146.917070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.917070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.064365 (E_RNA)
where:
Base-Base interactions energy: -84.769
where: short stacking energy: -44.567
Base-Backbone interact. energy: -0.690
local terms energy: -61.605321
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -10.131
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -13.210
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: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -238.718671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.718671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.904762 (E_RNA)
where:
Base-Base interactions energy: -160.681
where: short stacking energy: -86.792
Base-Backbone interact. energy: -0.006
local terms energy: -79.217375
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -22.042
Dist. restrs. and SS energy: 1.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -231.512960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.512960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.674319 (E_RNA)
where:
Base-Base interactions energy: -158.494
where: short stacking energy: -81.677
Base-Backbone interact. energy: -0.006
local terms energy: -73.173688
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -196.551109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.551109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.719396 (E_RNA)
where:
Base-Base interactions energy: -119.047
where: short stacking energy: -79.388
Base-Backbone interact. energy: -0.017
local terms energy: -77.655463
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -18.866
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: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -192.743230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.743230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.529248 (E_RNA)
where:
Base-Base interactions energy: -119.843
where: short stacking energy: -64.194
Base-Backbone interact. energy: -0.077
local terms energy: -73.608903
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -184.557676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.557676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.073761 (E_RNA)
where:
Base-Base interactions energy: -108.797
where: short stacking energy: -64.532
Base-Backbone interact. energy: -1.003
local terms energy: -75.273770
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -168.901227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.901227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.024113 (E_RNA)
where:
Base-Base interactions energy: -97.284
where: short stacking energy: -61.865
Base-Backbone interact. energy: -0.089
local terms energy: -71.651310
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -177.446863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.446863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.164603 (E_RNA)
where:
Base-Base interactions energy: -111.752
where: short stacking energy: -65.914
Base-Backbone interact. energy: -0.608
local terms energy: -65.805059
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -176.850717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.850717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.863789 (E_RNA)
where:
Base-Base interactions energy: -105.390
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.072
local terms energy: -71.401936
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -9.975
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: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -154.649154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.649154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.715253 (E_RNA)
where:
Base-Base interactions energy: -96.556
where: short stacking energy: -52.388
Base-Backbone interact. energy: -0.156
local terms energy: -58.003148
where:
bonds (distance) C4'-P energy: -7.788
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -7.673
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: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -154.263542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.263542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.912467 (E_RNA)
where:
Base-Base interactions energy: -89.807
where: short stacking energy: -55.473
Base-Backbone interact. energy: -0.006
local terms energy: -65.099704
where:
bonds (distance) C4'-P energy: -3.439
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -236.011874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.011874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.054995 (E_RNA)
where:
Base-Base interactions energy: -155.135
where: short stacking energy: -75.848
Base-Backbone interact. energy: -0.037
local terms energy: -80.882492
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -20.972
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: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -228.195366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.195366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.655084 (E_RNA)
where:
Base-Base interactions energy: -149.819
where: short stacking energy: -73.015
Base-Backbone interact. energy: -0.000
local terms energy: -80.835745
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -22.275
Dist. restrs. and SS energy: 2.460 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -199.593377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.593377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.642762 (E_RNA)
where:
Base-Base interactions energy: -128.516
where: short stacking energy: -70.777
Base-Backbone interact. energy: -0.434
local terms energy: -70.692659
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -14.589
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: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -194.079052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.079052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.313168 (E_RNA)
where:
Base-Base interactions energy: -122.411
where: short stacking energy: -67.529
Base-Backbone interact. energy: -0.137
local terms energy: -71.765495
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -167.943277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.943277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.980586 (E_RNA)
where:
Base-Base interactions energy: -112.244
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.319
local terms energy: -55.417575
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -7.550
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -6.676
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: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -172.151207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.151207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.312364 (E_RNA)
where:
Base-Base interactions energy: -105.264
where: short stacking energy: -61.724
Base-Backbone interact. energy: -0.093
local terms energy: -66.954901
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -14.552
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: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -171.891258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.891258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.204463 (E_RNA)
where:
Base-Base interactions energy: -107.563
where: short stacking energy: -45.675
Base-Backbone interact. energy: -0.855
local terms energy: -63.786559
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -12.720
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -175.042593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.042593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.086645 (E_RNA)
where:
Base-Base interactions energy: -102.035
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.709
local terms energy: -72.342653
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -18.670
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: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -173.339297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.339297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.340742 (E_RNA)
where:
Base-Base interactions energy: -107.741
where: short stacking energy: -62.563
Base-Backbone interact. energy: 0.911
local terms energy: -66.510751
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -7.877
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -18.680
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: 268
Temperature: 1.350000
Total energy: -152.496598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.496598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.482456 (E_RNA)
where:
Base-Base interactions energy: -90.745
where: short stacking energy: -46.878
Base-Backbone interact. energy: -0.818
local terms energy: -61.918926
where:
bonds (distance) C4'-P energy: -12.983
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -8.763
Dist. restrs. and SS energy: 0.986 (S_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: 269
Temperature: 0.900000
Total energy: -231.456497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.456497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.502547 (E_RNA)
where:
Base-Base interactions energy: -150.168
where: short stacking energy: -67.588
Base-Backbone interact. energy: -0.380
local terms energy: -80.954196
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -18.450
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: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -194.699676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.699676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.847955 (E_RNA)
where:
Base-Base interactions energy: -115.562
where: short stacking energy: -74.966
Base-Backbone interact. energy: -0.409
local terms energy: -78.876924
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -18.057
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -218.800374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.800374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.802916 (E_RNA)
where:
Base-Base interactions energy: -144.212
where: short stacking energy: -79.209
Base-Backbone interact. energy: -0.055
local terms energy: -74.535603
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -17.765
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: 269
Temperature: 1.050000
Total energy: -203.282885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.282885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.309745 (E_RNA)
where:
Base-Base interactions energy: -123.441
where: short stacking energy: -62.406
Base-Backbone interact. energy: -1.027
local terms energy: -78.842304
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -18.300
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: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -179.805699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.805699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.981518 (E_RNA)
where:
Base-Base interactions energy: -111.040
where: short stacking energy: -67.409
Base-Backbone interact. energy: -0.005
local terms energy: -68.936821
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -182.691134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.691134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.774961 (E_RNA)
where:
Base-Base interactions energy: -113.360
where: short stacking energy: -66.668
Base-Backbone interact. energy: -0.046
local terms energy: -69.369274
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -164.624838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.624838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.738841 (E_RNA)
where:
Base-Base interactions energy: -94.871
where: short stacking energy: -50.478
Base-Backbone interact. energy: -0.261
local terms energy: -69.606419
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -14.551
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: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -166.088713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.088713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.287946 (E_RNA)
where:
Base-Base interactions energy: -98.300
where: short stacking energy: -57.772
Base-Backbone interact. energy: -0.373
local terms energy: -67.615598
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -14.649
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: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -166.671489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.671489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.322069 (E_RNA)
where:
Base-Base interactions energy: -113.078
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.763
local terms energy: -53.481696
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -10.752
Dist. restrs. and SS energy: 0.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -152.598259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.598259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.700420 (E_RNA)
where:
Base-Base interactions energy: -91.530
where: short stacking energy: -58.290
Base-Backbone interact. energy: -0.136
local terms energy: -61.034764
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -17.630
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: 3
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -232.335126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.335126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.815067 (E_RNA)
where:
Base-Base interactions energy: -156.685
where: short stacking energy: -84.451
Base-Backbone interact. energy: -0.003
local terms energy: -76.126997
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -23.398
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: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -195.411130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.411130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.455816 (E_RNA)
where:
Base-Base interactions energy: -121.731
where: short stacking energy: -73.950
Base-Backbone interact. energy: -0.090
local terms energy: -73.634883
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -235.117618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.117618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.893977 (E_RNA)
where:
Base-Base interactions energy: -157.932
where: short stacking energy: -78.962
Base-Backbone interact. energy: -0.003
local terms energy: -77.958924
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -190.071574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.071574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.348304 (E_RNA)
where:
Base-Base interactions energy: -118.001
where: short stacking energy: -73.539
Base-Backbone interact. energy: -0.036
local terms energy: -72.311822
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -22.205
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: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -179.606444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.606444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.262592 (E_RNA)
where:
Base-Base interactions energy: -107.283
where: short stacking energy: -53.295
Base-Backbone interact. energy: -0.827
local terms energy: -72.152325
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -177.279348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.279348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.668861 (E_RNA)
where:
Base-Base interactions energy: -103.050
where: short stacking energy: -64.150
Base-Backbone interact. energy: -0.124
local terms energy: -74.494295
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -170.688975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.688975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.714417 (E_RNA)
where:
Base-Base interactions energy: -100.679
where: short stacking energy: -52.666
Base-Backbone interact. energy: -0.049
local terms energy: -69.985505
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -15.954
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: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -166.187723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.187723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.241111 (E_RNA)
where:
Base-Base interactions energy: -92.516
where: short stacking energy: -51.890
Base-Backbone interact. energy: -0.003
local terms energy: -73.722499
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -13.102
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: -152.988385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.988385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.003162 (E_RNA)
where:
Base-Base interactions energy: -91.022
where: short stacking energy: -50.204
Base-Backbone interact. energy: 2.177
local terms energy: -64.158181
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -8.029
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: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -164.538042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.538042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.385371 (E_RNA)
where:
Base-Base interactions energy: -96.951
where: short stacking energy: -53.026
Base-Backbone interact. energy: -0.047
local terms energy: -68.386774
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -13.645
Dist. restrs. and SS energy: 0.847 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -236.403918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.403918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.580126 (E_RNA)
where:
Base-Base interactions energy: -154.603
where: short stacking energy: -78.715
Base-Backbone interact. energy: -0.471
local terms energy: -82.506587
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 1.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -228.257266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.257266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.436125 (E_RNA)
where:
Base-Base interactions energy: -148.047
where: short stacking energy: -76.077
Base-Backbone interact. energy: -0.001
local terms energy: -80.388495
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -201.224031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.224031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.224031 (E_RNA)
where:
Base-Base interactions energy: -125.201
where: short stacking energy: -75.268
Base-Backbone interact. energy: -0.005
local terms energy: -76.017252
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -20.527
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: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -192.602404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.602404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.667379 (E_RNA)
where:
Base-Base interactions energy: -118.704
where: short stacking energy: -72.263
Base-Backbone interact. energy: -0.241
local terms energy: -73.722805
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -16.914
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: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -181.286920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.286920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.286920 (E_RNA)
where:
Base-Base interactions energy: -107.721
where: short stacking energy: -57.496
Base-Backbone interact. energy: -1.076
local terms energy: -72.489935
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -15.285
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: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -182.075807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.075807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.557614 (E_RNA)
where:
Base-Base interactions energy: -110.873
where: short stacking energy: -67.787
Base-Backbone interact. energy: 0.328
local terms energy: -72.013052
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -171.155150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.155150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.409776 (E_RNA)
where:
Base-Base interactions energy: -111.280
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.609
local terms energy: -59.521669
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -15.968
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: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -161.125884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.125884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.191717 (E_RNA)
where:
Base-Base interactions energy: -94.661
where: short stacking energy: -57.332
Base-Backbone interact. energy: 1.085
local terms energy: -67.616159
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -167.007291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.007291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.121847 (E_RNA)
where:
Base-Base interactions energy: -98.388
where: short stacking energy: -51.996
Base-Backbone interact. energy: -0.071
local terms energy: -68.662609
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -12.276
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: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -145.796344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.796344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.796344 (E_RNA)
where:
Base-Base interactions energy: -85.049
where: short stacking energy: -37.344
Base-Backbone interact. energy: -0.302
local terms energy: -60.444955
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -8.329
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: -0.000 (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: 272
Temperature: 0.900000
Total energy: -235.007788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.007788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.444707 (E_RNA)
where:
Base-Base interactions energy: -155.076
where: short stacking energy: -82.364
Base-Backbone interact. energy: -1.098
local terms energy: -79.270877
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -225.188914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.188914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.357003 (E_RNA)
where:
Base-Base interactions energy: -144.734
where: short stacking energy: -73.744
Base-Backbone interact. energy: -0.137
local terms energy: -81.486148
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 1.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -209.741804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.741804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.103836 (E_RNA)
where:
Base-Base interactions energy: -136.014
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.786
local terms energy: -74.303185
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 1.362 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -188.555866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.555866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.569769 (E_RNA)
where:
Base-Base interactions energy: -117.388
where: short stacking energy: -61.264
Base-Backbone interact. energy: -0.442
local terms energy: -70.740219
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -12.361
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: 272
Temperature: 1.100000
Total energy: -178.039816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.039816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.997618 (E_RNA)
where:
Base-Base interactions energy: -109.733
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.050
local terms energy: -69.214421
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -173.758778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.758778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.775765 (E_RNA)
where:
Base-Base interactions energy: -108.499
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.001
local terms energy: -65.275181
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -12.514
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: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -174.162348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.162348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.425390 (E_RNA)
where:
Base-Base interactions energy: -108.076
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.129
local terms energy: -66.220016
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -17.396
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: 8, replica: 5
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -153.132085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.132085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.214774 (E_RNA)
where:
Base-Base interactions energy: -103.257
where: short stacking energy: -51.444
Base-Backbone interact. energy: -0.436
local terms energy: -49.521408
where:
bonds (distance) C4'-P energy: -9.072
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -3.177
tors. eta vs tors. theta energy: -9.304
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: 272
Temperature: 1.300000
Total energy: -153.296445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.296445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.639049 (E_RNA)
where:
Base-Base interactions energy: -100.102
where: short stacking energy: -51.891
Base-Backbone interact. energy: 0.232
local terms energy: -53.769097
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -150.013675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.013675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.805129 (E_RNA)
where:
Base-Base interactions energy: -90.937
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.090
local terms energy: -59.778821
where:
bonds (distance) C4'-P energy: -9.688
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -245.152519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.152519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.611490 (E_RNA)
where:
Base-Base interactions energy: -164.665
where: short stacking energy: -87.879
Base-Backbone interact. energy: -0.290
local terms energy: -81.656252
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 1.459 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -226.691193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.691193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.775739 (E_RNA)
where:
Base-Base interactions energy: -152.585
where: short stacking energy: -81.590
Base-Backbone interact. energy: 0.008
local terms energy: -74.198371
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -18.706
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: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -230.405810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.405810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.081491 (E_RNA)
where:
Base-Base interactions energy: -149.795
where: short stacking energy: -80.141
Base-Backbone interact. energy: -0.003
local terms energy: -82.284007
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 1.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -201.876202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.876202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.894636 (E_RNA)
where:
Base-Base interactions energy: -126.210
where: short stacking energy: -67.381
Base-Backbone interact. energy: -0.503
local terms energy: -75.181319
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -14.822
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: 273
Temperature: 1.100000
Total energy: -183.793326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.793326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.083002 (E_RNA)
where:
Base-Base interactions energy: -112.277
where: short stacking energy: -69.341
Base-Backbone interact. energy: -0.103
local terms energy: -71.702899
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -178.663445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.663445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.837925 (E_RNA)
where:
Base-Base interactions energy: -107.894
where: short stacking energy: -59.380
Base-Backbone interact. energy: -0.294
local terms energy: -70.650206
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -19.331
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -172.791068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.791068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.819621 (E_RNA)
where:
Base-Base interactions energy: -109.771
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.091
local terms energy: -62.957949
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -12.351
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: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -164.055802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.055802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.107638 (E_RNA)
where:
Base-Base interactions energy: -102.490
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.023
local terms energy: -61.594678
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -161.539025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.539025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.575966 (E_RNA)
where:
Base-Base interactions energy: -101.266
where: short stacking energy: -58.300
Base-Backbone interact. energy: 1.180
local terms energy: -61.490594
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -14.974
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: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -144.773760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.773760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.796893 (E_RNA)
where:
Base-Base interactions energy: -84.229
where: short stacking energy: -45.629
Base-Backbone interact. energy: -1.671
local terms energy: -58.897053
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -7.418
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -11.079
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: 274
Temperature: 0.900000
Total energy: -240.412598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.412598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.202219 (E_RNA)
where:
Base-Base interactions energy: -155.611
where: short stacking energy: -80.977
Base-Backbone interact. energy: -0.000
local terms energy: -85.590787
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -15.599
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -235.089499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.089499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.794561 (E_RNA)
where:
Base-Base interactions energy: -159.021
where: short stacking energy: -83.464
Base-Backbone interact. energy: -0.003
local terms energy: -76.770633
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -227.664966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.664966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.566433 (E_RNA)
where:
Base-Base interactions energy: -149.792
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.457
local terms energy: -78.317628
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -23.420
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -184.987980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.987980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.494346 (E_RNA)
where:
Base-Base interactions energy: -113.620
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.031
local terms energy: -72.843581
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 1.506 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -173.909857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.909857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.167949 (E_RNA)
where:
Base-Base interactions energy: -101.343
where: short stacking energy: -63.151
Base-Backbone interact. energy: 1.734
local terms energy: -74.558666
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -169.251734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.251734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.291948 (E_RNA)
where:
Base-Base interactions energy: -97.130
where: short stacking energy: -60.277
Base-Backbone interact. energy: 1.196
local terms energy: -73.357442
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -13.143
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: 274
Temperature: 1.200000
Total energy: -161.968606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.968606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.826051 (E_RNA)
where:
Base-Base interactions energy: -104.598
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.361
local terms energy: -57.866810
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -14.473
Dist. restrs. and SS energy: 0.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -166.242947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.242947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.297785 (E_RNA)
where:
Base-Base interactions energy: -96.522
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.037
local terms energy: -69.739245
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -11.759
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: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -157.321975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.321975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.360438 (E_RNA)
where:
Base-Base interactions energy: -98.931
where: short stacking energy: -57.063
Base-Backbone interact. energy: 1.723
local terms energy: -60.152071
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -10.985
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: 274
Temperature: 1.350000
Total energy: -160.085275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.085275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.459299 (E_RNA)
where:
Base-Base interactions energy: -100.643
where: short stacking energy: -53.350
Base-Backbone interact. energy: -0.015
local terms energy: -59.801100
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -11.634
Dist. restrs. and SS energy: 0.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -237.546520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.546520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.169332 (E_RNA)
where:
Base-Base interactions energy: -151.303
where: short stacking energy: -83.974
Base-Backbone interact. energy: -0.007
local terms energy: -86.858923
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -23.720
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -231.811594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.811594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.396032 (E_RNA)
where:
Base-Base interactions energy: -151.384
where: short stacking energy: -88.554
Base-Backbone interact. energy: -0.067
local terms energy: -80.944536
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -230.360879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.360879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.637383 (E_RNA)
where:
Base-Base interactions energy: -150.323
where: short stacking energy: -81.905
Base-Backbone interact. energy: -0.285
local terms energy: -81.030091
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -23.328
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -183.262481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.262481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.669176 (E_RNA)
where:
Base-Base interactions energy: -110.118
where: short stacking energy: -62.206
Base-Backbone interact. energy: 0.336
local terms energy: -74.886956
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 1.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -194.181245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.181245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.095021 (E_RNA)
where:
Base-Base interactions energy: -117.668
where: short stacking energy: -71.277
Base-Backbone interact. energy: -0.475
local terms energy: -76.951408
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.914 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -176.457834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.457834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.457834 (E_RNA)
where:
Base-Base interactions energy: -102.660
where: short stacking energy: -60.310
Base-Backbone interact. energy: -0.020
local terms energy: -73.777823
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (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: 275
Temperature: 1.200000
Total energy: -209.454250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.454250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.454250 (E_RNA)
where:
Base-Base interactions energy: -130.865
where: short stacking energy: -70.364
Base-Backbone interact. energy: -0.109
local terms energy: -78.480489
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.000 (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: 275
Temperature: 1.250000
Total energy: -159.776228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.776228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.110734 (E_RNA)
where:
Base-Base interactions energy: -90.564
where: short stacking energy: -46.965
Base-Backbone interact. energy: -0.164
local terms energy: -69.382763
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -11.967
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -162.479094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.479094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.522191 (E_RNA)
where:
Base-Base interactions energy: -103.214
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.281
local terms energy: -59.027196
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -7.202
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -13.988
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: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -156.904180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.904180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.607261 (E_RNA)
where:
Base-Base interactions energy: -101.023
where: short stacking energy: -64.381
Base-Backbone interact. energy: -0.200
local terms energy: -56.384911
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -10.774
Dist. restrs. and SS energy: 0.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -233.730018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.730018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.094836 (E_RNA)
where:
Base-Base interactions energy: -153.443
where: short stacking energy: -77.431
Base-Backbone interact. energy: -0.148
local terms energy: -80.503818
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -22.558
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: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -236.768344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.768344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.205180 (E_RNA)
where:
Base-Base interactions energy: -154.035
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.001
local terms energy: -83.169268
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -196.926028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.926028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.151967 (E_RNA)
where:
Base-Base interactions energy: -120.117
where: short stacking energy: -68.328
Base-Backbone interact. energy: 1.525
local terms energy: -78.559877
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -17.664
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: 4, replica: 3
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -211.669977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.669977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.242957 (E_RNA)
where:
Base-Base interactions energy: -134.775
where: short stacking energy: -77.901
Base-Backbone interact. energy: -0.343
local terms energy: -78.124911
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -21.982
Dist. restrs. and SS energy: 1.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -200.606967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.606967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.304340 (E_RNA)
where:
Base-Base interactions energy: -124.237
where: short stacking energy: -66.023
Base-Backbone interact. energy: -0.301
local terms energy: -76.766587
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -165.343171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.343171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.430641 (E_RNA)
where:
Base-Base interactions energy: -95.539
where: short stacking energy: -49.626
Base-Backbone interact. energy: -0.832
local terms energy: -69.059804
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -8.427
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -176.839985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.839985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.962595 (E_RNA)
where:
Base-Base interactions energy: -110.970
where: short stacking energy: -69.079
Base-Backbone interact. energy: -0.015
local terms energy: -65.977951
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -153.602080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.602080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.885186 (E_RNA)
where:
Base-Base interactions energy: -92.996
where: short stacking energy: -52.588
Base-Backbone interact. energy: -0.501
local terms energy: -60.388270
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -10.210
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: 276
Temperature: 1.300000
Total energy: -144.955566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.955566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.291449 (E_RNA)
where:
Base-Base interactions energy: -88.730
where: short stacking energy: -47.930
Base-Backbone interact. energy: -1.151
local terms energy: -55.410795
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -140.896178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.896178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.956432 (E_RNA)
where:
Base-Base interactions energy: -90.605
where: short stacking energy: -52.341
Base-Backbone interact. energy: -0.160
local terms energy: -52.190732
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -7.712
Dist. restrs. and SS energy: 2.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -237.417193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.417193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.564988 (E_RNA)
where:
Base-Base interactions energy: -153.457
where: short stacking energy: -86.382
Base-Backbone interact. energy: -0.802
local terms energy: -83.306033
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -190.535224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.535224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.131577 (E_RNA)
where:
Base-Base interactions energy: -118.665
where: short stacking energy: -66.573
Base-Backbone interact. energy: -1.339
local terms energy: -72.127659
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -17.074
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 1.596 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -208.998228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.998228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.226431 (E_RNA)
where:
Base-Base interactions energy: -134.048
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.002
local terms energy: -76.176533
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 1.228 (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: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -216.724334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.724334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.155954 (E_RNA)
where:
Base-Base interactions energy: -137.553
where: short stacking energy: -77.427
Base-Backbone interact. energy: -0.009
local terms energy: -79.594157
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -208.366944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.366944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.016427 (E_RNA)
where:
Base-Base interactions energy: -142.166
where: short stacking energy: -66.730
Base-Backbone interact. energy: -0.348
local terms energy: -67.502788
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 1.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -186.170461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.170461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.170461 (E_RNA)
where:
Base-Base interactions energy: -111.058
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.317
local terms energy: -74.795495
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -20.736
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: 7, replica: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -185.236070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.236070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.392568 (E_RNA)
where:
Base-Base interactions energy: -121.157
where: short stacking energy: -67.972
Base-Backbone interact. energy: 0.842
local terms energy: -65.077423
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -15.068
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: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -154.722533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.722533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.891809 (E_RNA)
where:
Base-Base interactions energy: -92.020
where: short stacking energy: -55.883
Base-Backbone interact. energy: -0.018
local terms energy: -62.854486
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -157.446053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.446053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.771450 (E_RNA)
where:
Base-Base interactions energy: -91.932
where: short stacking energy: -50.120
Base-Backbone interact. energy: 1.282
local terms energy: -67.121510
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -8.324
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: 10, replica: 6
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -149.949184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.949184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.828511 (E_RNA)
where:
Base-Base interactions energy: -92.289
where: short stacking energy: -52.170
Base-Backbone interact. energy: -0.752
local terms energy: -58.786832
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 1.879 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -244.287992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.287992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.516014 (E_RNA)
where:
Base-Base interactions energy: -157.804
where: short stacking energy: -82.144
Base-Backbone interact. energy: -0.317
local terms energy: -86.394600
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -23.506
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -200.806490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.806490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.806490 (E_RNA)
where:
Base-Base interactions energy: -131.444
where: short stacking energy: -74.706
Base-Backbone interact. energy: -0.004
local terms energy: -69.358188
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -14.420
Dist. restrs. and SS energy: 0.000 (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: 278
Temperature: 1.000000
Total energy: -200.503736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.503736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.955344 (E_RNA)
where:
Base-Base interactions energy: -128.052
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.003
local terms energy: -73.900864
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 1.452 (S_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: 278
Temperature: 1.050000
Total energy: -205.958998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.958998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.958998 (E_RNA)
where:
Base-Base interactions energy: -134.947
where: short stacking energy: -77.558
Base-Backbone interact. energy: -1.074
local terms energy: -69.938027
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -20.273
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: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -197.540446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.540446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.597127 (E_RNA)
where:
Base-Base interactions energy: -129.550
where: short stacking energy: -57.730
Base-Backbone interact. energy: 0.676
local terms energy: -68.723349
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -4.252
tors. eta vs tors. theta energy: -17.029
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: 278
Temperature: 1.150000
Total energy: -187.924920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.924920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.579017 (E_RNA)
where:
Base-Base interactions energy: -117.167
where: short stacking energy: -55.938
Base-Backbone interact. energy: -0.010
local terms energy: -71.401258
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.654 (S_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: 278
Temperature: 1.200000
Total energy: -158.813290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.813290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.888528 (E_RNA)
where:
Base-Base interactions energy: -104.856
where: short stacking energy: -66.838
Base-Backbone interact. energy: -0.001
local terms energy: -54.031667
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -14.500
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: 278
Temperature: 1.250000
Total energy: -157.428083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.428083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.947855 (E_RNA)
where:
Base-Base interactions energy: -91.242
where: short stacking energy: -51.122
Base-Backbone interact. energy: -1.585
local terms energy: -68.121621
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -11.172
Dist. restrs. and SS energy: 3.520 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -148.237830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.237830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.237830 (E_RNA)
where:
Base-Base interactions energy: -99.054
where: short stacking energy: -47.288
Base-Backbone interact. energy: -0.130
local terms energy: -49.053625
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -9.394
Dist. restrs. and SS energy: -0.000 (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: 278
Temperature: 1.350000
Total energy: -158.404153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.404153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.456991 (E_RNA)
where:
Base-Base interactions energy: -97.327
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.021
local terms energy: -61.109100
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -13.574
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -240.973117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.973117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.042301 (E_RNA)
where:
Base-Base interactions energy: -155.453
where: short stacking energy: -80.833
Base-Backbone interact. energy: -1.000
local terms energy: -84.588896
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -24.384
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -225.326768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.326768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.548759 (E_RNA)
where:
Base-Base interactions energy: -146.462
where: short stacking energy: -78.467
Base-Backbone interact. energy: 0.097
local terms energy: -79.183855
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -19.465
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: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -215.830176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.830176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.809337 (E_RNA)
where:
Base-Base interactions energy: -143.976
where: short stacking energy: -78.379
Base-Backbone interact. energy: -0.504
local terms energy: -72.328660
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -227.626997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.626997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.644623 (E_RNA)
where:
Base-Base interactions energy: -149.654
where: short stacking energy: -78.362
Base-Backbone interact. energy: -0.001
local terms energy: -77.989806
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -20.395
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: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -192.561523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.561523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.237888 (E_RNA)
where:
Base-Base interactions energy: -119.698
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.492
local terms energy: -73.048489
where:
bonds (distance) C4'-P energy: -17.749
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -189.320113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.320113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.334859 (E_RNA)
where:
Base-Base interactions energy: -119.384
where: short stacking energy: -59.809
Base-Backbone interact. energy: 0.855
local terms energy: -70.805388
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -13.329
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: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -159.496064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.496064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.039086 (E_RNA)
where:
Base-Base interactions energy: -95.930
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.020
local terms energy: -64.089952
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -152.818370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.818370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.008726 (E_RNA)
where:
Base-Base interactions energy: -91.511
where: short stacking energy: -50.257
Base-Backbone interact. energy: -0.554
local terms energy: -60.944135
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -13.208
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: 279
Temperature: 1.300000
Total energy: -154.587229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.587229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.764536 (E_RNA)
where:
Base-Base interactions energy: -93.162
where: short stacking energy: -53.708
Base-Backbone interact. energy: -0.108
local terms energy: -61.494641
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -12.741
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: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -146.228853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.228853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.286786 (E_RNA)
where:
Base-Base interactions energy: -87.762
where: short stacking energy: -50.026
Base-Backbone interact. energy: -0.265
local terms energy: -58.259854
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -8.552
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: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -239.306958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.306958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.554820 (E_RNA)
where:
Base-Base interactions energy: -158.305
where: short stacking energy: -90.053
Base-Backbone interact. energy: -0.023
local terms energy: -82.226156
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -23.739
Dist. restrs. and SS energy: 1.248 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -244.551697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.551697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.659476 (E_RNA)
where:
Base-Base interactions energy: -153.995
where: short stacking energy: -85.232
Base-Backbone interact. energy: -0.005
local terms energy: -90.659214
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -23.411
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: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -202.237660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.237660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.282857 (E_RNA)
where:
Base-Base interactions energy: -130.801
where: short stacking energy: -73.479
Base-Backbone interact. energy: 0.074
local terms energy: -71.555901
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -20.499
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: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -207.505379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.505379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.202043 (E_RNA)
where:
Base-Base interactions energy: -132.260
where: short stacking energy: -77.375
Base-Backbone interact. energy: -0.089
local terms energy: -75.853177
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.697 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -195.753753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.753753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.875135 (E_RNA)
where:
Base-Base interactions energy: -118.168
where: short stacking energy: -65.792
Base-Backbone interact. energy: -0.320
local terms energy: -78.387077
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 1.121 (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: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -186.804315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.804315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.846609 (E_RNA)
where:
Base-Base interactions energy: -118.609
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.221
local terms energy: -69.016833
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 1.042 (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: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -170.589786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.589786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.638889 (E_RNA)
where:
Base-Base interactions energy: -97.741
where: short stacking energy: -54.616
Base-Backbone interact. energy: -0.957
local terms energy: -71.941790
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -13.673
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: 280
Temperature: 1.250000
Total energy: -156.351873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.351873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.879511 (E_RNA)
where:
Base-Base interactions energy: -94.175
where: short stacking energy: -60.120
Base-Backbone interact. energy: -0.046
local terms energy: -62.659116
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -167.843597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.843597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.898803 (E_RNA)
where:
Base-Base interactions energy: -109.008
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.215
local terms energy: -58.675535
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -9.701
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: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -145.544284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.544284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.617770 (E_RNA)
where:
Base-Base interactions energy: -87.293
where: short stacking energy: -44.425
Base-Backbone interact. energy: -0.103
local terms energy: -58.221616
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -9.063
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: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -224.466604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.466604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.479591 (E_RNA)
where:
Base-Base interactions energy: -141.376
where: short stacking energy: -75.309
Base-Backbone interact. energy: 0.136
local terms energy: -83.239440
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -22.750
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: 281
Temperature: 0.950000
Total energy: -235.241250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.241250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.274397 (E_RNA)
where:
Base-Base interactions energy: -151.386
where: short stacking energy: -77.267
Base-Backbone interact. energy: 0.389
local terms energy: -84.276821
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -22.362
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: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -192.900965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.900965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.900965 (E_RNA)
where:
Base-Base interactions energy: -121.305
where: short stacking energy: -62.697
Base-Backbone interact. energy: -0.361
local terms energy: -71.235105
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: -0.000 (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: 281
Temperature: 1.050000
Total energy: -196.213151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.213151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.344707 (E_RNA)
where:
Base-Base interactions energy: -123.754
where: short stacking energy: -64.889
Base-Backbone interact. energy: 1.231
local terms energy: -73.822261
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -174.285875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.285875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.609861 (E_RNA)
where:
Base-Base interactions energy: -110.087
where: short stacking energy: -57.496
Base-Backbone interact. energy: -0.259
local terms energy: -64.263881
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -171.667740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.667740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.763932 (E_RNA)
where:
Base-Base interactions energy: -106.715
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.184
local terms energy: -64.864832
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -15.411
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: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -174.508310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.508310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.865284 (E_RNA)
where:
Base-Base interactions energy: -108.968
where: short stacking energy: -58.658
Base-Backbone interact. energy: -0.011
local terms energy: -66.886540
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 1.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -176.263569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.263569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.289616 (E_RNA)
where:
Base-Base interactions energy: -123.389
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.009
local terms energy: -52.891198
where:
bonds (distance) C4'-P energy: -6.011
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -15.919
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: 281
Temperature: 1.300000
Total energy: -162.964917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.964917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.487199 (E_RNA)
where:
Base-Base interactions energy: -93.367
where: short stacking energy: -44.605
Base-Backbone interact. energy: -0.157
local terms energy: -69.962294
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -156.074357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.074357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.509188 (E_RNA)
where:
Base-Base interactions energy: -104.829
where: short stacking energy: -51.719
Base-Backbone interact. energy: 0.303
local terms energy: -51.982684
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 0.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -242.450435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.450435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.473839 (E_RNA)
where:
Base-Base interactions energy: -161.393
where: short stacking energy: -87.472
Base-Backbone interact. energy: -0.011
local terms energy: -81.070006
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -22.897
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: 282
Temperature: 0.950000
Total energy: -229.873964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.873964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.546355 (E_RNA)
where:
Base-Base interactions energy: -151.131
where: short stacking energy: -83.880
Base-Backbone interact. energy: -0.072
local terms energy: -79.342659
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -22.504
Dist. restrs. and SS energy: 0.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -214.519319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.519319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.534374 (E_RNA)
where:
Base-Base interactions energy: -139.945
where: short stacking energy: -75.541
Base-Backbone interact. energy: -0.054
local terms energy: -74.535240
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -14.902
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: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -177.636023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.636023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.636023 (E_RNA)
where:
Base-Base interactions energy: -109.318
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.065
local terms energy: -68.252286
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: -0.000 (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: 282
Temperature: 1.100000
Total energy: -168.177339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.177339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.234972 (E_RNA)
where:
Base-Base interactions energy: -106.452
where: short stacking energy: -66.368
Base-Backbone interact. energy: -0.105
local terms energy: -61.678663
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -11.294
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: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -171.874093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.874093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.999057 (E_RNA)
where:
Base-Base interactions energy: -103.692
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.266
local terms energy: -68.040789
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -165.711668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.711668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.972117 (E_RNA)
where:
Base-Base interactions energy: -96.229
where: short stacking energy: -59.545
Base-Backbone interact. energy: 0.841
local terms energy: -70.583837
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -11.633
Dist. restrs. and SS energy: 0.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -171.438603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.438603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.528992 (E_RNA)
where:
Base-Base interactions energy: -100.140
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.870
local terms energy: -70.519206
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -16.214
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: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -167.874762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.874762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.994993 (E_RNA)
where:
Base-Base interactions energy: -98.406
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.373
local terms energy: -69.215739
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -17.425
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: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -144.721669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.721669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.741273 (E_RNA)
where:
Base-Base interactions energy: -93.037
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.162
local terms energy: -51.541778
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -6.769
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: 283
Temperature: 0.900000
Total energy: -235.439097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.439097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.439097 (E_RNA)
where:
Base-Base interactions energy: -151.866
where: short stacking energy: -80.144
Base-Backbone interact. energy: -0.272
local terms energy: -83.301282
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -23.328
Dist. restrs. and SS energy: -0.000 (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: 283
Temperature: 0.950000
Total energy: -229.631165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.631165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.741838 (E_RNA)
where:
Base-Base interactions energy: -145.373
where: short stacking energy: -81.591
Base-Backbone interact. energy: 0.020
local terms energy: -84.388992
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -22.156
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: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -229.514097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.514097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.114652 (E_RNA)
where:
Base-Base interactions energy: -148.525
where: short stacking energy: -85.308
Base-Backbone interact. energy: -0.000
local terms energy: -81.589135
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -5.779
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 0.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -183.208793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.208793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.210912 (E_RNA)
where:
Base-Base interactions energy: -111.383
where: short stacking energy: -66.335
Base-Backbone interact. energy: -0.988
local terms energy: -70.840154
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -17.649
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: 283
Temperature: 1.100000
Total energy: -183.062724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.062724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.513529 (E_RNA)
where:
Base-Base interactions energy: -111.370
where: short stacking energy: -66.563
Base-Backbone interact. energy: -0.789
local terms energy: -72.354585
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 1.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -177.896923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.896923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.932855 (E_RNA)
where:
Base-Base interactions energy: -118.105
where: short stacking energy: -69.632
Base-Backbone interact. energy: -0.281
local terms energy: -59.547052
where:
bonds (distance) C4'-P energy: -4.512
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -13.484
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: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -157.168607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.168607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.476008 (E_RNA)
where:
Base-Base interactions energy: -91.526
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.775
local terms energy: -65.175130
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -165.489508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.489508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.668994 (E_RNA)
where:
Base-Base interactions energy: -103.625
where: short stacking energy: -63.389
Base-Backbone interact. energy: -0.077
local terms energy: -61.967611
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -13.350
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: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -163.349646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.349646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.604682 (E_RNA)
where:
Base-Base interactions energy: -99.044
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.001
local terms energy: -64.560140
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -149.131920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.131920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.341431 (E_RNA)
where:
Base-Base interactions energy: -92.877
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.761
local terms energy: -55.703085
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -9.789
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -245.576233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.576233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.773384 (E_RNA)
where:
Base-Base interactions energy: -155.483
where: short stacking energy: -86.603
Base-Backbone interact. energy: -0.414
local terms energy: -89.876330
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -25.721
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -210.955807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.955807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.955807 (E_RNA)
where:
Base-Base interactions energy: -139.322
where: short stacking energy: -64.172
Base-Backbone interact. energy: -0.843
local terms energy: -70.790028
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: -0.000 (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: 284
Temperature: 1.000000
Total energy: -232.988711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.988711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.976563 (E_RNA)
where:
Base-Base interactions energy: -150.174
where: short stacking energy: -83.943
Base-Backbone interact. energy: -0.019
local terms energy: -83.783900
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -198.746770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.746770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.752243 (E_RNA)
where:
Base-Base interactions energy: -128.466
where: short stacking energy: -76.914
Base-Backbone interact. energy: -0.334
local terms energy: -69.951597
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -21.939
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: 284
Temperature: 1.100000
Total energy: -178.780343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.780343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.795664 (E_RNA)
where:
Base-Base interactions energy: -105.048
where: short stacking energy: -61.000
Base-Backbone interact. energy: -0.258
local terms energy: -73.489991
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -14.350
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: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -174.153953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.153953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.298051 (E_RNA)
where:
Base-Base interactions energy: -107.862
where: short stacking energy: -69.042
Base-Backbone interact. energy: -0.103
local terms energy: -66.332676
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -14.313
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: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -173.919103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.919103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.738931 (E_RNA)
where:
Base-Base interactions energy: -109.536
where: short stacking energy: -61.403
Base-Backbone interact. energy: 0.507
local terms energy: -65.709973
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -152.759206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.759206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.076421 (E_RNA)
where:
Base-Base interactions energy: -90.475
where: short stacking energy: -50.898
Base-Backbone interact. energy: 0.226
local terms energy: -63.827598
where:
bonds (distance) C4'-P energy: -8.495
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 1.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -166.103401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.103401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.182211 (E_RNA)
where:
Base-Base interactions energy: -99.110
where: short stacking energy: -60.332
Base-Backbone interact. energy: -0.616
local terms energy: -66.455913
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -18.411
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: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -148.055156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.055156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.319208 (E_RNA)
where:
Base-Base interactions energy: -89.871
where: short stacking energy: -52.309
Base-Backbone interact. energy: -0.208
local terms energy: -58.239912
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -245.733417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.733417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.759014 (E_RNA)
where:
Base-Base interactions energy: -159.589
where: short stacking energy: -93.419
Base-Backbone interact. energy: -0.655
local terms energy: -85.514969
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -23.980
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: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -227.965943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.965943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.997234 (E_RNA)
where:
Base-Base interactions energy: -145.472
where: short stacking energy: -83.610
Base-Backbone interact. energy: -0.013
local terms energy: -83.512241
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -19.788
Dist. restrs. and SS energy: 1.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -199.380746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.380746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.447432 (E_RNA)
where:
Base-Base interactions energy: -126.848
where: short stacking energy: -71.094
Base-Backbone interact. energy: -0.540
local terms energy: -72.059623
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -16.999
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: 4, replica: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -183.726463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.726463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.283320 (E_RNA)
where:
Base-Base interactions energy: -103.971
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.039
local terms energy: -80.273158
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -19.411
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -178.739288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.739288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.976719 (E_RNA)
where:
Base-Base interactions energy: -110.230
where: short stacking energy: -63.981
Base-Backbone interact. energy: -0.135
local terms energy: -68.611588
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -17.501
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: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -179.525127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.525127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.525127 (E_RNA)
where:
Base-Base interactions energy: -111.290
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.053
local terms energy: -68.182378
where:
bonds (distance) C4'-P energy: -7.098
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -16.536
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: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -168.600449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.600449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.600449 (E_RNA)
where:
Base-Base interactions energy: -102.198
where: short stacking energy: -52.898
Base-Backbone interact. energy: -0.058
local terms energy: -66.344744
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.578
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: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -164.189346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.189346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.189346 (E_RNA)
where:
Base-Base interactions energy: -103.116
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.131
local terms energy: -60.942123
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -11.795
Dist. restrs. and SS energy: -0.000 (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: 285
Temperature: 1.300000
Total energy: -155.253633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.253633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.326019 (E_RNA)
where:
Base-Base interactions energy: -97.332
where: short stacking energy: -57.074
Base-Backbone interact. energy: -0.609
local terms energy: -57.385054
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -10.896
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: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -145.561850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.561850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.561850 (E_RNA)
where:
Base-Base interactions energy: -90.261
where: short stacking energy: -43.615
Base-Backbone interact. energy: -0.407
local terms energy: -54.893923
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -6.000
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: 1, replica: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -238.523335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.523335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825563 (E_RNA)
where:
Base-Base interactions energy: -151.713
where: short stacking energy: -74.951
Base-Backbone interact. energy: -1.119
local terms energy: -86.993854
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 1.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -235.509895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.509895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.285617 (E_RNA)
where:
Base-Base interactions energy: -156.549
where: short stacking energy: -77.532
Base-Backbone interact. energy: 0.023
local terms energy: -79.759030
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.776 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -214.829180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.829180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.779071 (E_RNA)
where:
Base-Base interactions energy: -145.711
where: short stacking energy: -71.164
Base-Backbone interact. energy: -0.030
local terms energy: -71.037960
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 1.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -199.030004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.030004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.941415 (E_RNA)
where:
Base-Base interactions energy: -125.021
where: short stacking energy: -69.426
Base-Backbone interact. energy: 0.393
local terms energy: -75.313191
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -179.825565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.825565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.833483 (E_RNA)
where:
Base-Base interactions energy: -116.388
where: short stacking energy: -49.213
Base-Backbone interact. energy: -1.184
local terms energy: -62.261982
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -11.349
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: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -184.292516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.292516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.370428 (E_RNA)
where:
Base-Base interactions energy: -112.021
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.021
local terms energy: -72.328251
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -15.298
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: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -167.857888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.857888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.190094 (E_RNA)
where:
Base-Base interactions energy: -101.722
where: short stacking energy: -59.881
Base-Backbone interact. energy: -0.000
local terms energy: -66.467280
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -12.424
Dist. restrs. and SS energy: 0.332 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -159.833834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.833834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.901280 (E_RNA)
where:
Base-Base interactions energy: -98.547
where: short stacking energy: -51.866
Base-Backbone interact. energy: -0.393
local terms energy: -60.960672
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -7.846
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: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -152.717783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.717783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.966112 (E_RNA)
where:
Base-Base interactions energy: -102.292
where: short stacking energy: -42.869
Base-Backbone interact. energy: -0.289
local terms energy: -50.385034
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -8.920
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -8.627
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: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -142.634046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.634046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.731601 (E_RNA)
where:
Base-Base interactions energy: -76.176
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.705
local terms energy: -65.850577
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -8.149
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: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -250.608584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.608584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.634658 (E_RNA)
where:
Base-Base interactions energy: -160.497
where: short stacking energy: -89.196
Base-Backbone interact. energy: -0.000
local terms energy: -90.137318
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -24.203
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: 287
Temperature: 0.950000
Total energy: -231.886531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.886531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.693630 (E_RNA)
where:
Base-Base interactions energy: -153.467
where: short stacking energy: -79.673
Base-Backbone interact. energy: -0.027
local terms energy: -79.200034
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 0.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -216.336247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.336247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.139655 (E_RNA)
where:
Base-Base interactions energy: -143.853
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.968
local terms energy: -72.319025
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -190.118922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.118922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.118922 (E_RNA)
where:
Base-Base interactions energy: -115.587
where: short stacking energy: -72.460
Base-Backbone interact. energy: -1.220
local terms energy: -73.312047
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: -0.000 (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: 287
Temperature: 1.100000
Total energy: -173.585788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.585788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.919162 (E_RNA)
where:
Base-Base interactions energy: -104.756
where: short stacking energy: -63.423
Base-Backbone interact. energy: -0.149
local terms energy: -69.014519
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -197.344361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.344361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.449005 (E_RNA)
where:
Base-Base interactions energy: -122.319
where: short stacking energy: -64.311
Base-Backbone interact. energy: -0.253
local terms energy: -75.877008
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 1.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -164.676028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.676028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.873835 (E_RNA)
where:
Base-Base interactions energy: -104.702
where: short stacking energy: -64.635
Base-Backbone interact. energy: 1.690
local terms energy: -61.862244
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -158.649671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.649671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.928242 (E_RNA)
where:
Base-Base interactions energy: -91.500
where: short stacking energy: -51.772
Base-Backbone interact. energy: -0.056
local terms energy: -67.372525
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -10.792
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: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -148.397031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.397031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.520021 (E_RNA)
where:
Base-Base interactions energy: -86.414
where: short stacking energy: -53.584
Base-Backbone interact. energy: -0.166
local terms energy: -61.939186
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -5.632
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: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -136.711828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.711828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.825323 (E_RNA)
where:
Base-Base interactions energy: -86.766
where: short stacking energy: -49.597
Base-Backbone interact. energy: -0.036
local terms energy: -50.023066
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -10.037
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -10.285
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: 288
Temperature: 0.900000
Total energy: -236.094780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.094780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.073137 (E_RNA)
where:
Base-Base interactions energy: -153.419
where: short stacking energy: -81.553
Base-Backbone interact. energy: -0.001
local terms energy: -83.653758
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -235.271528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.271528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.653849 (E_RNA)
where:
Base-Base interactions energy: -153.885
where: short stacking energy: -82.879
Base-Backbone interact. energy: -0.336
local terms energy: -81.432459
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -214.239797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.239797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.893706 (E_RNA)
where:
Base-Base interactions energy: -132.968
where: short stacking energy: -73.336
Base-Backbone interact. energy: -0.286
local terms energy: -82.639250
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 1.654 (S_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: 288
Temperature: 1.050000
Total energy: -184.930063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.930063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.139071 (E_RNA)
where:
Base-Base interactions energy: -114.773
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.445
local terms energy: -69.920716
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -12.315
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -202.503731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.503731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.383325 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -73.175
Base-Backbone interact. energy: -0.100
local terms energy: -76.283845
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -174.033163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.033163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.291019 (E_RNA)
where:
Base-Base interactions energy: -104.467
where: short stacking energy: -55.668
Base-Backbone interact. energy: 0.384
local terms energy: -70.208180
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -168.487448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.487448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.542853 (E_RNA)
where:
Base-Base interactions energy: -101.272
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.151
local terms energy: -67.119603
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -2.886
tors. eta vs tors. theta energy: -16.072
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: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -171.828980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.828980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.943653 (E_RNA)
where:
Base-Base interactions energy: -105.315
where: short stacking energy: -62.511
Base-Backbone interact. energy: -0.001
local terms energy: -66.627729
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.662
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: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -155.588736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.588736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.690197 (E_RNA)
where:
Base-Base interactions energy: -98.153
where: short stacking energy: -59.776
Base-Backbone interact. energy: -0.301
local terms energy: -57.235863
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -14.292
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: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -159.812343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.812343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.938566 (E_RNA)
where:
Base-Base interactions energy: -105.312
where: short stacking energy: -50.883
Base-Backbone interact. energy: 0.606
local terms energy: -56.232531
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 1.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -237.754725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.754725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.393835 (E_RNA)
where:
Base-Base interactions energy: -156.536
where: short stacking energy: -84.879
Base-Backbone interact. energy: -0.038
local terms energy: -82.820306
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 1.639 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -234.859936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.859936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.940363 (E_RNA)
where:
Base-Base interactions energy: -151.277
where: short stacking energy: -83.578
Base-Backbone interact. energy: -0.034
local terms energy: -83.629803
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -21.249
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: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -208.944408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.944408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.210843 (E_RNA)
where:
Base-Base interactions energy: -133.042
where: short stacking energy: -63.944
Base-Backbone interact. energy: -0.169
local terms energy: -75.999439
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -17.984
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: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -184.613116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.613116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.665859 (E_RNA)
where:
Base-Base interactions energy: -114.174
where: short stacking energy: -69.400
Base-Backbone interact. energy: -0.330
local terms energy: -70.161589
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -8.218
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -19.766
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: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -189.811867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.811867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.989610 (E_RNA)
where:
Base-Base interactions energy: -118.280
where: short stacking energy: -66.061
Base-Backbone interact. energy: -0.578
local terms energy: -71.131518
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -178.048513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.048513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.048513 (E_RNA)
where:
Base-Base interactions energy: -113.977
where: short stacking energy: -69.957
Base-Backbone interact. energy: -0.084
local terms energy: -63.987437
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -4.173
tors. eta vs tors. theta energy: -16.736
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: 7, replica: 7
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -172.807909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.807909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.084937 (E_RNA)
where:
Base-Base interactions energy: -103.079
where: short stacking energy: -58.356
Base-Backbone interact. energy: 0.109
local terms energy: -70.115254
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -15.013
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -168.647779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.647779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.850016 (E_RNA)
where:
Base-Base interactions energy: -107.712
where: short stacking energy: -72.594
Base-Backbone interact. energy: -0.191
local terms energy: -60.947009
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -146.839142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.839142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.220688 (E_RNA)
where:
Base-Base interactions energy: -89.267
where: short stacking energy: -55.602
Base-Backbone interact. energy: -0.818
local terms energy: -57.136120
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -8.989
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: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -161.259290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.259290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.032309 (E_RNA)
where:
Base-Base interactions energy: -101.684
where: short stacking energy: -47.757
Base-Backbone interact. energy: -0.113
local terms energy: -60.234987
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -12.354
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: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -233.535131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.535131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.033589 (E_RNA)
where:
Base-Base interactions energy: -158.158
where: short stacking energy: -85.329
Base-Backbone interact. energy: -0.331
local terms energy: -76.544366
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 1.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -227.305662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.305662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.705799 (E_RNA)
where:
Base-Base interactions energy: -152.552
where: short stacking energy: -78.783
Base-Backbone interact. energy: -0.568
local terms energy: -76.585044
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 2.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -194.002383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.002383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.031551 (E_RNA)
where:
Base-Base interactions energy: -118.183
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.188
local terms energy: -75.661397
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -14.380
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: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -229.356739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.356739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.590800 (E_RNA)
where:
Base-Base interactions energy: -148.078
where: short stacking energy: -78.217
Base-Backbone interact. energy: 1.201
local terms energy: -82.713932
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -182.567832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.567832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.832598 (E_RNA)
where:
Base-Base interactions energy: -113.942
where: short stacking energy: -62.984
Base-Backbone interact. energy: -0.218
local terms energy: -68.672585
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -19.000
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: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -176.311463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.311463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.336595 (E_RNA)
where:
Base-Base interactions energy: -112.512
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.222
local terms energy: -63.602623
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -10.830
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: 290
Temperature: 1.200000
Total energy: -160.693432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.693432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.741602 (E_RNA)
where:
Base-Base interactions energy: -97.261
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.153
local terms energy: -63.327530
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -7.060
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: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -157.999611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.999611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.999611 (E_RNA)
where:
Base-Base interactions energy: -97.184
where: short stacking energy: -51.525
Base-Backbone interact. energy: -0.031
local terms energy: -60.784939
where:
bonds (distance) C4'-P energy: -17.103
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -7.730
Dist. restrs. and SS energy: 0.000 (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: 290
Temperature: 1.300000
Total energy: -157.684534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.684534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.684534 (E_RNA)
where:
Base-Base interactions energy: -100.825
where: short stacking energy: -42.273
Base-Backbone interact. energy: -0.261
local terms energy: -56.598601
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (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: 290
Temperature: 1.350000
Total energy: -150.190143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.190143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.833483 (E_RNA)
where:
Base-Base interactions energy: -89.875
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.015
local terms energy: -60.943945
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -243.733728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.733728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.424394 (E_RNA)
where:
Base-Base interactions energy: -158.808
where: short stacking energy: -86.361
Base-Backbone interact. energy: -0.267
local terms energy: -85.349448
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -23.536
Dist. restrs. and SS energy: 0.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -233.959815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.959815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.073275 (E_RNA)
where:
Base-Base interactions energy: -148.257
where: short stacking energy: -84.794
Base-Backbone interact. energy: -0.597
local terms energy: -85.218725
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -24.274
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: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -202.864729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.864729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.923832 (E_RNA)
where:
Base-Base interactions energy: -129.399
where: short stacking energy: -69.771
Base-Backbone interact. energy: -0.265
local terms energy: -73.260757
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -229.293857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.293857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.296197 (E_RNA)
where:
Base-Base interactions energy: -150.011
where: short stacking energy: -78.346
Base-Backbone interact. energy: -0.000
local terms energy: -79.284851
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -23.236
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: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -194.120438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.421388 (E_RNA)
where:
Base-Base interactions energy: -122.603
where: short stacking energy: -60.152
Base-Backbone interact. energy: -0.091
local terms energy: -71.727378
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -175.439178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.439178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.542364 (E_RNA)
where:
Base-Base interactions energy: -107.274
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.335
local terms energy: -67.934233
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -13.612
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: 6
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -178.754715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.754715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.814323 (E_RNA)
where:
Base-Base interactions energy: -106.874
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.949
local terms energy: -70.991197
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -13.011
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: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -160.375622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.375622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.425003 (E_RNA)
where:
Base-Base interactions energy: -107.585
where: short stacking energy: -51.119
Base-Backbone interact. energy: 0.013
local terms energy: -52.852690
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -9.251
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -13.637
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: 291
Temperature: 1.300000
Total energy: -147.954205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.954205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.995704 (E_RNA)
where:
Base-Base interactions energy: -88.582
where: short stacking energy: -45.620
Base-Backbone interact. energy: -1.292
local terms energy: -58.120903
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -9.218
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -7.783
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: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -146.480970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.480970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.772349 (E_RNA)
where:
Base-Base interactions energy: -84.538
where: short stacking energy: -41.066
Base-Backbone interact. energy: -0.575
local terms energy: -61.659732
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -14.863
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -233.012738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.012738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.336809 (E_RNA)
where:
Base-Base interactions energy: -151.939
where: short stacking energy: -82.413
Base-Backbone interact. energy: -0.521
local terms energy: -80.876296
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -24.804
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -240.067999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.067999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.239478 (E_RNA)
where:
Base-Base interactions energy: -159.412
where: short stacking energy: -89.580
Base-Backbone interact. energy: -0.637
local terms energy: -80.190544
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -24.111
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: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -204.179477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.179477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.305563 (E_RNA)
where:
Base-Base interactions energy: -132.665
where: short stacking energy: -73.247
Base-Backbone interact. energy: -0.125
local terms energy: -71.515236
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -218.381646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.381646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.457039 (E_RNA)
where:
Base-Base interactions energy: -142.061
where: short stacking energy: -77.641
Base-Backbone interact. energy: -0.042
local terms energy: -76.353543
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -21.201
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: 292
Temperature: 1.100000
Total energy: -179.580150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.580150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.612721 (E_RNA)
where:
Base-Base interactions energy: -108.891
where: short stacking energy: -67.195
Base-Backbone interact. energy: -0.600
local terms energy: -70.122438
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -15.920
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: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -180.515559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.515559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.539571 (E_RNA)
where:
Base-Base interactions energy: -110.911
where: short stacking energy: -58.494
Base-Backbone interact. energy: -0.012
local terms energy: -69.616940
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -12.016
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: 5
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -166.624837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.624837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.657435 (E_RNA)
where:
Base-Base interactions energy: -102.415
where: short stacking energy: -57.062
Base-Backbone interact. energy: 0.677
local terms energy: -64.919685
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -13.002
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: 292
Temperature: 1.250000
Total energy: -177.349644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.349644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.787361 (E_RNA)
where:
Base-Base interactions energy: -109.516
where: short stacking energy: -70.910
Base-Backbone interact. energy: 0.317
local terms energy: -68.588507
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -150.951423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.951423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.973291 (E_RNA)
where:
Base-Base interactions energy: -89.171
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.396
local terms energy: -61.406437
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -5.687
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: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -160.130249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.130249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.164331 (E_RNA)
where:
Base-Base interactions energy: -103.444
where: short stacking energy: -58.448
Base-Backbone interact. energy: -0.019
local terms energy: -56.701279
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: -11.586
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: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -241.695076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.695076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.560766 (E_RNA)
where:
Base-Base interactions energy: -162.972
where: short stacking energy: -75.391
Base-Backbone interact. energy: -0.017
local terms energy: -79.572513
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -241.635033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.635033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.696292 (E_RNA)
where:
Base-Base interactions energy: -153.450
where: short stacking energy: -88.082
Base-Backbone interact. energy: -0.043
local terms energy: -88.204034
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -23.093
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: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -207.022715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.022715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.060639 (E_RNA)
where:
Base-Base interactions energy: -133.247
where: short stacking energy: -64.578
Base-Backbone interact. energy: -0.621
local terms energy: -74.192372
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 1.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -195.099864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.099864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.287273 (E_RNA)
where:
Base-Base interactions energy: -126.289
where: short stacking energy: -68.255
Base-Backbone interact. energy: 0.921
local terms energy: -69.918594
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -21.164
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: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -213.910386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.910386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.910386 (E_RNA)
where:
Base-Base interactions energy: -140.291
where: short stacking energy: -76.773
Base-Backbone interact. energy: -0.002
local terms energy: -73.617625
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -20.441
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: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -170.718201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.718201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.774441 (E_RNA)
where:
Base-Base interactions energy: -97.299
where: short stacking energy: -57.938
Base-Backbone interact. energy: -2.127
local terms energy: -71.348528
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -18.998
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: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -177.573593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.573593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.666488 (E_RNA)
where:
Base-Base interactions energy: -108.507
where: short stacking energy: -69.562
Base-Backbone interact. energy: -0.004
local terms energy: -69.155825
where:
bonds (distance) C4'-P energy: -6.787
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -168.676416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.676416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.097360 (E_RNA)
where:
Base-Base interactions energy: -101.729
where: short stacking energy: -63.120
Base-Backbone interact. energy: -0.106
local terms energy: -67.261883
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -140.902206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.902206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.942222 (E_RNA)
where:
Base-Base interactions energy: -80.087
where: short stacking energy: -37.395
Base-Backbone interact. energy: -1.058
local terms energy: -59.796498
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -5.886
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: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -148.000537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.000537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.029043 (E_RNA)
where:
Base-Base interactions energy: -80.218
where: short stacking energy: -39.963
Base-Backbone interact. energy: -0.069
local terms energy: -67.741751
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -11.386
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: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -238.423704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.423704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.604159 (E_RNA)
where:
Base-Base interactions energy: -160.097
where: short stacking energy: -75.178
Base-Backbone interact. energy: -0.716
local terms energy: -79.790472
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 2.180 (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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -234.043197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.043197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.399320 (E_RNA)
where:
Base-Base interactions energy: -151.023
where: short stacking energy: -83.186
Base-Backbone interact. energy: -0.005
local terms energy: -84.371638
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -25.239
Dist. restrs. and SS energy: 1.356 (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: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -221.467457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.467457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.467457 (E_RNA)
where:
Base-Base interactions energy: -147.452
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.313
local terms energy: -73.702121
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (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: 294
Temperature: 1.050000
Total energy: -181.653843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.653843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.653843 (E_RNA)
where:
Base-Base interactions energy: -115.470
where: short stacking energy: -70.964
Base-Backbone interact. energy: -0.719
local terms energy: -65.464133
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -14.693
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: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -211.279699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.279699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.443121 (E_RNA)
where:
Base-Base interactions energy: -134.743
where: short stacking energy: -69.866
Base-Backbone interact. energy: -0.053
local terms energy: -77.647140
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 1.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -192.400932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.400932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.683718 (E_RNA)
where:
Base-Base interactions energy: -122.653
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.070
local terms energy: -69.960664
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -13.631
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: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -204.549916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.549916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.591221 (E_RNA)
where:
Base-Base interactions energy: -132.034
where: short stacking energy: -75.541
Base-Backbone interact. energy: -0.002
local terms energy: -72.555423
where:
bonds (distance) C4'-P energy: -9.047
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -21.362
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: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -188.244565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.244565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.979691 (E_RNA)
where:
Base-Base interactions energy: -124.099
where: short stacking energy: -68.826
Base-Backbone interact. energy: -0.378
local terms energy: -64.502670
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -160.550074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.550074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.576448 (E_RNA)
where:
Base-Base interactions energy: -97.143
where: short stacking energy: -60.491
Base-Backbone interact. energy: -0.146
local terms energy: -63.287836
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -11.736
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: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -151.537871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.537871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.557516 (E_RNA)
where:
Base-Base interactions energy: -90.192
where: short stacking energy: -47.510
Base-Backbone interact. energy: -0.120
local terms energy: -61.245465
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -7.712
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: 295
Temperature: 0.900000
Total energy: -238.019871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.019871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.934572 (E_RNA)
where:
Base-Base interactions energy: -158.834
where: short stacking energy: -67.312
Base-Backbone interact. energy: -0.192
local terms energy: -79.907951
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.915 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -233.044220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.044220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.798087 (E_RNA)
where:
Base-Base interactions energy: -149.365
where: short stacking energy: -82.291
Base-Backbone interact. energy: -1.150
local terms energy: -84.283393
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 1.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -226.877402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.877402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.900521 (E_RNA)
where:
Base-Base interactions energy: -150.549
where: short stacking energy: -86.264
Base-Backbone interact. energy: -0.001
local terms energy: -76.350663
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -19.623
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: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -211.252000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.252000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.556443 (E_RNA)
where:
Base-Base interactions energy: -136.810
where: short stacking energy: -71.082
Base-Backbone interact. energy: -0.556
local terms energy: -74.190226
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -20.834
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: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -173.050633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.050633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.095715 (E_RNA)
where:
Base-Base interactions energy: -100.537
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.056
local terms energy: -72.502329
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -11.629
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: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -176.552034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.552034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.584352 (E_RNA)
where:
Base-Base interactions energy: -105.965
where: short stacking energy: -51.446
Base-Backbone interact. energy: -0.318
local terms energy: -70.301038
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -12.237
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: 295
Temperature: 1.200000
Total energy: -181.785219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.785219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.793897 (E_RNA)
where:
Base-Base interactions energy: -115.995
where: short stacking energy: -63.889
Base-Backbone interact. energy: 0.324
local terms energy: -66.122632
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -17.254
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: 295
Temperature: 1.250000
Total energy: -166.088546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.088546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.219694 (E_RNA)
where:
Base-Base interactions energy: -101.855
where: short stacking energy: -55.522
Base-Backbone interact. energy: -0.000
local terms energy: -64.364301
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -12.684
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -152.796373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.796373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.854692 (E_RNA)
where:
Base-Base interactions energy: -90.354
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.091
local terms energy: -62.409463
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -10.213
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: 295
Temperature: 1.350000
Total energy: -135.301837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.301837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.278539 (E_RNA)
where:
Base-Base interactions energy: -86.315
where: short stacking energy: -40.274
Base-Backbone interact. energy: 2.017
local terms energy: -51.979888
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -237.249915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.249915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.638965 (E_RNA)
where:
Base-Base interactions energy: -161.464
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.200
local terms energy: -77.974085
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 2.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -229.200437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.200437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.200437 (E_RNA)
where:
Base-Base interactions energy: -149.709
where: short stacking energy: -82.950
Base-Backbone interact. energy: -0.188
local terms energy: -79.303282
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -15.980
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: -0.000 (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: 296
Temperature: 1.000000
Total energy: -218.748920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.748920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.838009 (E_RNA)
where:
Base-Base interactions energy: -135.115
where: short stacking energy: -76.863
Base-Backbone interact. energy: -0.000
local terms energy: -83.722516
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -189.356052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.356052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.450861 (E_RNA)
where:
Base-Base interactions energy: -117.860
where: short stacking energy: -73.331
Base-Backbone interact. energy: -0.077
local terms energy: -71.513062
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -18.737
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: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -183.608415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.608415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.009305 (E_RNA)
where:
Base-Base interactions energy: -118.747
where: short stacking energy: -68.692
Base-Backbone interact. energy: -0.129
local terms energy: -66.133405
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -176.907324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.907324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.055269 (E_RNA)
where:
Base-Base interactions energy: -104.754
where: short stacking energy: -61.106
Base-Backbone interact. energy: -0.198
local terms energy: -72.102641
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -17.133
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: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -157.741288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.741288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.845525 (E_RNA)
where:
Base-Base interactions energy: -100.013
where: short stacking energy: -58.369
Base-Backbone interact. energy: -0.023
local terms energy: -57.809675
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -13.893
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: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -183.651428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.651428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.997783 (E_RNA)
where:
Base-Base interactions energy: -118.459
where: short stacking energy: -71.476
Base-Backbone interact. energy: -1.184
local terms energy: -64.355357
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -11.816
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: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -153.717069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.717069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.835238 (E_RNA)
where:
Base-Base interactions energy: -93.869
where: short stacking energy: -49.608
Base-Backbone interact. energy: -0.025
local terms energy: -59.940478
where:
bonds (distance) C4'-P energy: -8.154
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -13.572
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: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -146.458296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.458296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.903427 (E_RNA)
where:
Base-Base interactions energy: -87.400
where: short stacking energy: -49.096
Base-Backbone interact. energy: -0.281
local terms energy: -59.222164
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -5.415
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -241.401900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.401900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.915595 (E_RNA)
where:
Base-Base interactions energy: -159.678
where: short stacking energy: -72.965
Base-Backbone interact. energy: -0.332
local terms energy: -82.905850
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -19.556
Dist. restrs. and SS energy: 1.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -237.021329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.021329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.050552 (E_RNA)
where:
Base-Base interactions energy: -156.100
where: short stacking energy: -84.615
Base-Backbone interact. energy: -0.097
local terms energy: -80.853821
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -18.994
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: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -217.818397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.818397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.602148 (E_RNA)
where:
Base-Base interactions energy: -141.967
where: short stacking energy: -74.435
Base-Backbone interact. energy: -0.021
local terms energy: -76.614161
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -185.264221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.264221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.266376 (E_RNA)
where:
Base-Base interactions energy: -114.740
where: short stacking energy: -70.577
Base-Backbone interact. energy: -0.003
local terms energy: -70.522802
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -16.218
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: 297
Temperature: 1.100000
Total energy: -186.896617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.896617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.269960 (E_RNA)
where:
Base-Base interactions energy: -119.279
where: short stacking energy: -66.386
Base-Backbone interact. energy: 1.038
local terms energy: -70.028577
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 1.373 (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: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -183.938572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.938572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.938572 (E_RNA)
where:
Base-Base interactions energy: -116.819
where: short stacking energy: -66.955
Base-Backbone interact. energy: -0.829
local terms energy: -66.290642
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (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: 297
Temperature: 1.200000
Total energy: -162.121323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.121323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.254603 (E_RNA)
where:
Base-Base interactions energy: -96.714
where: short stacking energy: -54.045
Base-Backbone interact. energy: -0.377
local terms energy: -65.164181
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -11.953
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: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -160.761590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.761590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.914676 (E_RNA)
where:
Base-Base interactions energy: -99.221
where: short stacking energy: -43.353
Base-Backbone interact. energy: 0.979
local terms energy: -62.673098
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -5.551
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: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -160.085899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.085899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.347565 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -56.533
Base-Backbone interact. energy: 0.030
local terms energy: -61.239399
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -1.568
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 2.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -158.602297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.602297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.637605 (E_RNA)
where:
Base-Base interactions energy: -102.636
where: short stacking energy: -56.322
Base-Backbone interact. energy: -1.500
local terms energy: -54.501553
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -2.763
tors. eta vs tors. theta energy: -11.311
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: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -239.651603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.651603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.708023 (E_RNA)
where:
Base-Base interactions energy: -152.995
where: short stacking energy: -79.675
Base-Backbone interact. energy: -0.008
local terms energy: -86.705089
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -24.086
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -234.735602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.735602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.763331 (E_RNA)
where:
Base-Base interactions energy: -166.117
where: short stacking energy: -70.099
Base-Backbone interact. energy: -0.091
local terms energy: -69.555102
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 1.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -232.053885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.053885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.071120 (E_RNA)
where:
Base-Base interactions energy: -146.491
where: short stacking energy: -76.792
Base-Backbone interact. energy: -0.959
local terms energy: -84.621014
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -23.596
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: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -201.094625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.094625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.132263 (E_RNA)
where:
Base-Base interactions energy: -128.617
where: short stacking energy: -69.884
Base-Backbone interact. energy: -0.202
local terms energy: -72.313296
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.705
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -178.688461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.688461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.803053 (E_RNA)
where:
Base-Base interactions energy: -116.388
where: short stacking energy: -68.887
Base-Backbone interact. energy: 1.510
local terms energy: -63.925308
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -168.336577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.336577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.540549 (E_RNA)
where:
Base-Base interactions energy: -107.032
where: short stacking energy: -62.958
Base-Backbone interact. energy: -0.165
local terms energy: -61.343687
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -12.537
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: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -174.024574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.024574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.093871 (E_RNA)
where:
Base-Base interactions energy: -109.703
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.098
local terms energy: -64.293115
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -158.397187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.397187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.440471 (E_RNA)
where:
Base-Base interactions energy: -100.171
where: short stacking energy: -47.639
Base-Backbone interact. energy: -0.323
local terms energy: -57.946224
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -10.477
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: 298
Temperature: 1.300000
Total energy: -164.784068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.784068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.870892 (E_RNA)
where:
Base-Base interactions energy: -97.843
where: short stacking energy: -58.807
Base-Backbone interact. energy: 4.754
local terms energy: -72.781821
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -17.163
Dist. restrs. and SS energy: 1.087 (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: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -138.520361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.520361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.609408 (E_RNA)
where:
Base-Base interactions energy: -83.125
where: short stacking energy: -47.425
Base-Backbone interact. energy: -0.039
local terms energy: -55.445664
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -10.447
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: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -238.589791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.589791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.738129 (E_RNA)
where:
Base-Base interactions energy: -155.062
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.292
local terms energy: -83.383991
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -24.928
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -224.906562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.906562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.134120 (E_RNA)
where:
Base-Base interactions energy: -148.980
where: short stacking energy: -81.658
Base-Backbone interact. energy: -0.232
local terms energy: -76.921773
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 1.228 (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: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -223.573358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.573358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.137948 (E_RNA)
where:
Base-Base interactions energy: -147.190
where: short stacking energy: -80.792
Base-Backbone interact. energy: -0.501
local terms energy: -77.446930
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 1.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -196.117844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.117844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.282422 (E_RNA)
where:
Base-Base interactions energy: -120.484
where: short stacking energy: -64.304
Base-Backbone interact. energy: 2.686
local terms energy: -78.484375
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -176.138761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.138761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.185627 (E_RNA)
where:
Base-Base interactions energy: -105.439
where: short stacking energy: -56.430
Base-Backbone interact. energy: -0.439
local terms energy: -70.307029
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -17.324
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: 299
Temperature: 1.150000
Total energy: -179.414877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.414877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.690741 (E_RNA)
where:
Base-Base interactions energy: -109.087
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.118
local terms energy: -70.485335
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -170.654149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.654149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.846226 (E_RNA)
where:
Base-Base interactions energy: -105.011
where: short stacking energy: -62.635
Base-Backbone interact. energy: -0.035
local terms energy: -65.800137
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -12.142
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: 8, replica: 10
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -158.562704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.562704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.562704 (E_RNA)
where:
Base-Base interactions energy: -98.678
where: short stacking energy: -56.192
Base-Backbone interact. energy: -0.012
local terms energy: -59.872912
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -4.440
tors. eta vs tors. theta energy: -8.876
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: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -152.278833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.278833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.407042 (E_RNA)
where:
Base-Base interactions energy: -91.860
where: short stacking energy: -51.293
Base-Backbone interact. energy: -0.315
local terms energy: -60.232618
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -141.614165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.614165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.769116 (E_RNA)
where:
Base-Base interactions energy: -94.673
where: short stacking energy: -56.356
Base-Backbone interact. energy: -0.271
local terms energy: -46.825663
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -9.695
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: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -241.708282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.708282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.741475 (E_RNA)
where:
Base-Base interactions energy: -156.434
where: short stacking energy: -83.480
Base-Backbone interact. energy: -1.340
local terms energy: -83.967876
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -22.604
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: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -225.302423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.302423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.498660 (E_RNA)
where:
Base-Base interactions energy: -146.303
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.025
local terms energy: -80.169755
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -225.148418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.148418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.462538 (E_RNA)
where:
Base-Base interactions energy: -151.549
where: short stacking energy: -81.785
Base-Backbone interact. energy: -0.121
local terms energy: -74.792183
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 1.314 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -198.536078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.536078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.636953 (E_RNA)
where:
Base-Base interactions energy: -124.669
where: short stacking energy: -69.045
Base-Backbone interact. energy: 1.655
local terms energy: -75.623087
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -179.246613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.246613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.246613 (E_RNA)
where:
Base-Base interactions energy: -107.189
where: short stacking energy: -50.872
Base-Backbone interact. energy: -0.846
local terms energy: -71.212099
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -13.215
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: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -171.445267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.445267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.388293 (E_RNA)
where:
Base-Base interactions energy: -112.739
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.061
local terms energy: -59.588172
where:
bonds (distance) C4'-P energy: -9.901
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.943 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -171.180199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.180199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.217256 (E_RNA)
where:
Base-Base interactions energy: -105.636
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.047
local terms energy: -65.534858
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -11.214
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: 300
Temperature: 1.250000
Total energy: -161.631201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.631201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.432362 (E_RNA)
where:
Base-Base interactions energy: -102.493
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.006
local terms energy: -59.933257
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -6.506
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.801 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -156.514853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.514853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.610556 (E_RNA)
where:
Base-Base interactions energy: -96.664
where: short stacking energy: -47.354
Base-Backbone interact. energy: -0.023
local terms energy: -59.923225
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -11.188
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: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -145.110297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.110297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.274867 (E_RNA)
where:
Base-Base interactions energy: -93.961
where: short stacking energy: -49.481
Base-Backbone interact. energy: -0.284
local terms energy: -51.030398
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -3.232
tors. eta vs tors. theta energy: -5.486
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: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -240.274282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.274282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.274282 (E_RNA)
where:
Base-Base interactions energy: -157.428
where: short stacking energy: -92.013
Base-Backbone interact. energy: -0.095
local terms energy: -82.751857
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -22.228
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: 2, replica: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -212.736866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.736866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.736866 (E_RNA)
where:
Base-Base interactions energy: -137.395
where: short stacking energy: -72.565
Base-Backbone interact. energy: -2.049
local terms energy: -73.292854
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -16.827
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: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -230.446285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.446285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.219852 (E_RNA)
where:
Base-Base interactions energy: -160.300
where: short stacking energy: -78.218
Base-Backbone interact. energy: -0.003
local terms energy: -70.917026
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.774 (S_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: -182.577233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.577233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.577233 (E_RNA)
where:
Base-Base interactions energy: -112.734
where: short stacking energy: -55.658
Base-Backbone interact. energy: 0.476
local terms energy: -70.318781
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (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: 301
Temperature: 1.100000
Total energy: -183.753033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.753033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.811232 (E_RNA)
where:
Base-Base interactions energy: -112.432
where: short stacking energy: -58.474
Base-Backbone interact. energy: 0.925
local terms energy: -72.304714
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -15.666
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: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -165.537068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.537068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.561827 (E_RNA)
where:
Base-Base interactions energy: -107.042
where: short stacking energy: -65.539
Base-Backbone interact. energy: 0.438
local terms energy: -58.957252
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -8.290
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -12.501
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: 301
Temperature: 1.200000
Total energy: -158.935587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.935587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.935587 (E_RNA)
where:
Base-Base interactions energy: -87.920
where: short stacking energy: -53.724
Base-Backbone interact. energy: -0.520
local terms energy: -70.495394
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -11.254
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: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -154.395613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.395613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.448144 (E_RNA)
where:
Base-Base interactions energy: -95.491
where: short stacking energy: -53.168
Base-Backbone interact. energy: -0.055
local terms energy: -58.901665
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -9.170
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: 301
Temperature: 1.300000
Total energy: -166.331639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.331639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.341951 (E_RNA)
where:
Base-Base interactions energy: -107.866
where: short stacking energy: -45.665
Base-Backbone interact. energy: -0.695
local terms energy: -57.781314
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -10.557
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: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -153.379113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.379113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.805758 (E_RNA)
where:
Base-Base interactions energy: -97.084
where: short stacking energy: -46.109
Base-Backbone interact. energy: -1.022
local terms energy: -57.699070
where:
bonds (distance) C4'-P energy: -9.271
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -9.803
Dist. restrs. and SS energy: 2.427 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -239.972155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.972155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.109888 (E_RNA)
where:
Base-Base interactions energy: -158.187
where: short stacking energy: -90.204
Base-Backbone interact. energy: -0.054
local terms energy: -81.869250
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -205.298987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.298987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.446714 (E_RNA)
where:
Base-Base interactions energy: -129.571
where: short stacking energy: -71.762
Base-Backbone interact. energy: 0.712
local terms energy: -76.587585
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -231.146762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.146762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.445147 (E_RNA)
where:
Base-Base interactions energy: -156.542
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.001
local terms energy: -74.902291
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -22.614
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: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -189.757112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.757112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.915769 (E_RNA)
where:
Base-Base interactions energy: -118.352
where: short stacking energy: -63.622
Base-Backbone interact. energy: -0.092
local terms energy: -71.471722
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -178.920859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.920859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.152082 (E_RNA)
where:
Base-Base interactions energy: -114.861
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.053
local terms energy: -64.238099
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -11.870
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -171.795549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.795549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.890966 (E_RNA)
where:
Base-Base interactions energy: -107.234
where: short stacking energy: -69.370
Base-Backbone interact. energy: -0.076
local terms energy: -64.581519
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -13.364
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: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -184.616770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.616770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.624982 (E_RNA)
where:
Base-Base interactions energy: -104.817
where: short stacking energy: -60.699
Base-Backbone interact. energy: -0.282
local terms energy: -79.525905
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -17.317
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -19.376
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: 302
Temperature: 1.250000
Total energy: -175.509680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.509680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.897538 (E_RNA)
where:
Base-Base interactions energy: -122.001
where: short stacking energy: -67.760
Base-Backbone interact. energy: -0.359
local terms energy: -53.537386
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -0.827
tors. eta vs tors. theta energy: -16.502
Dist. restrs. and SS energy: 0.388 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -155.361314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.361314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.954210 (E_RNA)
where:
Base-Base interactions energy: -104.316
where: short stacking energy: -49.902
Base-Backbone interact. energy: -0.620
local terms energy: -52.019003
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -9.810
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -10.423
Dist. restrs. and SS energy: 1.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -158.597623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.597623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.597623 (E_RNA)
where:
Base-Base interactions energy: -95.986
where: short stacking energy: -44.617
Base-Backbone interact. energy: -0.425
local terms energy: -62.186060
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: -0.000 (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: 303
Temperature: 0.900000
Total energy: -240.000630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.000630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.090519 (E_RNA)
where:
Base-Base interactions energy: -159.414
where: short stacking energy: -87.639
Base-Backbone interact. energy: -0.001
local terms energy: -80.675321
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -239.604364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.604364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.867560 (E_RNA)
where:
Base-Base interactions energy: -152.916
where: short stacking energy: -86.748
Base-Backbone interact. energy: -0.071
local terms energy: -86.880605
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -15.048
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 0.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -208.085212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.085212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.085816 (E_RNA)
where:
Base-Base interactions energy: -131.656
where: short stacking energy: -63.629
Base-Backbone interact. energy: -0.599
local terms energy: -75.830612
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -15.111
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: 303
Temperature: 1.050000
Total energy: -181.513762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.513762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.535869 (E_RNA)
where:
Base-Base interactions energy: -109.069
where: short stacking energy: -71.825
Base-Backbone interact. energy: -0.006
local terms energy: -72.461381
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -10.632
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: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -179.811393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.811393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.121664 (E_RNA)
where:
Base-Base interactions energy: -108.897
where: short stacking energy: -77.995
Base-Backbone interact. energy: -0.493
local terms energy: -70.731120
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -185.751970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.751970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.778601 (E_RNA)
where:
Base-Base interactions energy: -116.619
where: short stacking energy: -64.716
Base-Backbone interact. energy: 0.579
local terms energy: -69.737807
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -15.212
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: 303
Temperature: 1.200000
Total energy: -175.296526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.296526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.311821 (E_RNA)
where:
Base-Base interactions energy: -105.786
where: short stacking energy: -62.066
Base-Backbone interact. energy: -0.030
local terms energy: -69.495829
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -12.320
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: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -168.454617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.454617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.478142 (E_RNA)
where:
Base-Base interactions energy: -102.921
where: short stacking energy: -61.513
Base-Backbone interact. energy: -0.080
local terms energy: -65.477480
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -9.734
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: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -168.966318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.966318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.053332 (E_RNA)
where:
Base-Base interactions energy: -103.711
where: short stacking energy: -64.338
Base-Backbone interact. energy: -0.063
local terms energy: -65.278916
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -16.827
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: 6
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -157.049705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.049705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.939591 (E_RNA)
where:
Base-Base interactions energy: -97.850
where: short stacking energy: -53.914
Base-Backbone interact. energy: -0.001
local terms energy: -60.089060
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -243.967218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.967218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.071077 (E_RNA)
where:
Base-Base interactions energy: -158.238
where: short stacking energy: -89.181
Base-Backbone interact. energy: -0.014
local terms energy: -85.818810
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -230.167980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.167980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.004350 (E_RNA)
where:
Base-Base interactions energy: -152.351
where: short stacking energy: -82.613
Base-Backbone interact. energy: -0.242
local terms energy: -78.411864
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.836 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -200.187473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.187473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.677928 (E_RNA)
where:
Base-Base interactions energy: -125.631
where: short stacking energy: -74.493
Base-Backbone interact. energy: -0.005
local terms energy: -75.041316
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.490 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -179.702643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.702643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746594 (E_RNA)
where:
Base-Base interactions energy: -104.665
where: short stacking energy: -63.612
Base-Backbone interact. energy: -0.076
local terms energy: -75.005622
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -12.288
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: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -176.292104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.292104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.523090 (E_RNA)
where:
Base-Base interactions energy: -103.178
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.059
local terms energy: -73.286118
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -175.504574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.504574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.838673 (E_RNA)
where:
Base-Base interactions energy: -107.502
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.387
local terms energy: -68.949419
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -176.712747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.712747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.803446 (E_RNA)
where:
Base-Base interactions energy: -107.984
where: short stacking energy: -67.026
Base-Backbone interact. energy: -0.496
local terms energy: -68.323300
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -14.932
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: 304
Temperature: 1.250000
Total energy: -164.978614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.978614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.281589 (E_RNA)
where:
Base-Base interactions energy: -101.508
where: short stacking energy: -52.237
Base-Backbone interact. energy: -0.487
local terms energy: -63.286565
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -11.561
Dist. restrs. and SS energy: 0.303 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -157.277985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.277985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.277985 (E_RNA)
where:
Base-Base interactions energy: -93.276
where: short stacking energy: -50.086
Base-Backbone interact. energy: -0.075
local terms energy: -63.926434
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -10.031
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: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -134.468863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.468863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.566654 (E_RNA)
where:
Base-Base interactions energy: -79.674
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.326
local terms energy: -54.566346
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -3.801
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: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -242.385772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.385772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.390212 (E_RNA)
where:
Base-Base interactions energy: -160.065
where: short stacking energy: -92.343
Base-Backbone interact. energy: -0.002
local terms energy: -82.323796
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -20.584
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: 305
Temperature: 0.950000
Total energy: -230.430765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.430765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.235939 (E_RNA)
where:
Base-Base interactions energy: -152.662
where: short stacking energy: -85.587
Base-Backbone interact. energy: -0.698
local terms energy: -78.875735
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 1.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -194.519737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.519737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.735159 (E_RNA)
where:
Base-Base interactions energy: -123.723
where: short stacking energy: -75.101
Base-Backbone interact. energy: 0.047
local terms energy: -71.058578
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -13.580
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: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -187.203489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.203489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.242425 (E_RNA)
where:
Base-Base interactions energy: -116.451
where: short stacking energy: -74.324
Base-Backbone interact. energy: -0.527
local terms energy: -70.264082
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -5.884
tors. eta vs tors. theta energy: -20.016
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: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -179.453736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.453736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.000149 (E_RNA)
where:
Base-Base interactions energy: -112.530
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.207
local terms energy: -67.263323
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -157.194476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.194476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.214975 (E_RNA)
where:
Base-Base interactions energy: -95.295
where: short stacking energy: -51.090
Base-Backbone interact. energy: -0.139
local terms energy: -61.781634
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -6.824
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: 305
Temperature: 1.200000
Total energy: -162.012947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.012947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.321318 (E_RNA)
where:
Base-Base interactions energy: -98.819
where: short stacking energy: -45.910
Base-Backbone interact. energy: 1.348
local terms energy: -64.849966
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -12.011
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: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -154.779781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.779781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.792522 (E_RNA)
where:
Base-Base interactions energy: -94.961
where: short stacking energy: -46.894
Base-Backbone interact. energy: -0.358
local terms energy: -59.474041
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -6.010
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: 5
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -165.739669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.739669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.755663 (E_RNA)
where:
Base-Base interactions energy: -94.055
where: short stacking energy: -55.025
Base-Backbone interact. energy: -0.354
local terms energy: -71.346725
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -11.364
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: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -142.432572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.432572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.478394 (E_RNA)
where:
Base-Base interactions energy: -89.751
where: short stacking energy: -47.774
Base-Backbone interact. energy: -2.036
local terms energy: -50.692068
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -10.605
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -8.394
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: 306
Temperature: 0.900000
Total energy: -241.534983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.534983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.921781 (E_RNA)
where:
Base-Base interactions energy: -162.337
where: short stacking energy: -83.034
Base-Backbone interact. energy: 0.690
local terms energy: -80.275146
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -21.926
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: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -220.941044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.941044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.415838 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -78.660
Base-Backbone interact. energy: -0.001
local terms energy: -78.086652
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -204.249016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.249016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.579009 (E_RNA)
where:
Base-Base interactions energy: -125.384
where: short stacking energy: -75.825
Base-Backbone interact. energy: -2.045
local terms energy: -77.150047
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.330 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -199.355335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.355335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.983161 (E_RNA)
where:
Base-Base interactions energy: -120.886
where: short stacking energy: -60.025
Base-Backbone interact. energy: 0.035
local terms energy: -79.131961
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -171.050547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.050547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.050547 (E_RNA)
where:
Base-Base interactions energy: -103.482
where: short stacking energy: -56.836
Base-Backbone interact. energy: -0.565
local terms energy: -67.003194
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (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: 306
Temperature: 1.150000
Total energy: -173.382385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.382385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.482500 (E_RNA)
where:
Base-Base interactions energy: -98.516
where: short stacking energy: -57.450
Base-Backbone interact. energy: -0.141
local terms energy: -74.825445
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -15.106
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: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -166.894553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.894553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.896433 (E_RNA)
where:
Base-Base interactions energy: -101.538
where: short stacking energy: -50.164
Base-Backbone interact. energy: -0.909
local terms energy: -64.449636
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -12.133
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: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -149.556063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.556063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.577441 (E_RNA)
where:
Base-Base interactions energy: -86.781
where: short stacking energy: -49.609
Base-Backbone interact. energy: -0.421
local terms energy: -62.375059
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -8.275
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: 5
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -144.356484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.356484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.422624 (E_RNA)
where:
Base-Base interactions energy: -91.859
where: short stacking energy: -42.495
Base-Backbone interact. energy: -0.040
local terms energy: -52.524305
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -7.701
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: 306
Temperature: 1.350000
Total energy: -145.618415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.618415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.920083 (E_RNA)
where:
Base-Base interactions energy: -86.848
where: short stacking energy: -42.909
Base-Backbone interact. energy: -0.226
local terms energy: -58.845912
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -249.013120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.013120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.013120 (E_RNA)
where:
Base-Base interactions energy: -163.037
where: short stacking energy: -72.719
Base-Backbone interact. energy: -0.077
local terms energy: -85.898891
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: -0.000 (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: 307
Temperature: 0.950000
Total energy: -228.466481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.466481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.226270 (E_RNA)
where:
Base-Base interactions energy: -145.138
where: short stacking energy: -82.953
Base-Backbone interact. energy: -0.001
local terms energy: -84.087266
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -224.961223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.961223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.964571 (E_RNA)
where:
Base-Base interactions energy: -143.476
where: short stacking energy: -72.982
Base-Backbone interact. energy: -0.004
local terms energy: -81.484248
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -23.435
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: 307
Temperature: 1.050000
Total energy: -206.383225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.383225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.148649 (E_RNA)
where:
Base-Base interactions energy: -136.332
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.003
local terms energy: -70.814024
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 0.765 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -178.341928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.341928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.341928 (E_RNA)
where:
Base-Base interactions energy: -105.123
where: short stacking energy: -59.551
Base-Backbone interact. energy: 0.425
local terms energy: -73.643906
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (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: 307
Temperature: 1.150000
Total energy: -164.544951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.544951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.549830 (E_RNA)
where:
Base-Base interactions energy: -93.790
where: short stacking energy: -49.082
Base-Backbone interact. energy: -1.373
local terms energy: -69.386362
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -13.302
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: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -166.679296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.679296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.705825 (E_RNA)
where:
Base-Base interactions energy: -97.186
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.111
local terms energy: -69.409081
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -15.738
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: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -159.863515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.863515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.373246 (E_RNA)
where:
Base-Base interactions energy: -95.396
where: short stacking energy: -47.171
Base-Backbone interact. energy: -0.111
local terms energy: -64.866354
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -150.411177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.411177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.748752 (E_RNA)
where:
Base-Base interactions energy: -90.103
where: short stacking energy: -44.994
Base-Backbone interact. energy: -0.378
local terms energy: -60.268080
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -144.553795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.553795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.107681 (E_RNA)
where:
Base-Base interactions energy: -87.461
where: short stacking energy: -45.813
Base-Backbone interact. energy: -0.165
local terms energy: -57.481787
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -8.748
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -233.797746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.797746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.418740 (E_RNA)
where:
Base-Base interactions energy: -154.777
where: short stacking energy: -76.271
Base-Backbone interact. energy: -0.068
local terms energy: -79.573995
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -236.648788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.648788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.877226 (E_RNA)
where:
Base-Base interactions energy: -162.443
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.588
local terms energy: -73.845807
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -19.438
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: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -227.952062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.952062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.242295 (E_RNA)
where:
Base-Base interactions energy: -145.774
where: short stacking energy: -83.326
Base-Backbone interact. energy: -0.447
local terms energy: -83.021308
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -22.914
Dist. restrs. and SS energy: 1.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -198.938266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.938266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.589916 (E_RNA)
where:
Base-Base interactions energy: -121.004
where: short stacking energy: -64.337
Base-Backbone interact. energy: -0.158
local terms energy: -79.428455
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -15.705
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -185.828384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.828384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.919568 (E_RNA)
where:
Base-Base interactions energy: -112.709
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.070
local terms energy: -73.140609
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -15.468
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: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -175.068793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.068793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.723249 (E_RNA)
where:
Base-Base interactions energy: -117.800
where: short stacking energy: -62.352
Base-Backbone interact. energy: 0.016
local terms energy: -57.939784
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -164.788585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.788585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.916995 (E_RNA)
where:
Base-Base interactions energy: -96.939
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.495
local terms energy: -67.483390
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -13.792
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: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -164.557683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.557683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.741715 (E_RNA)
where:
Base-Base interactions energy: -97.645
where: short stacking energy: -57.623
Base-Backbone interact. energy: 0.020
local terms energy: -67.116255
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -14.733
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: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -151.318472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.318472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.318472 (E_RNA)
where:
Base-Base interactions energy: -91.808
where: short stacking energy: -39.479
Base-Backbone interact. energy: 0.782
local terms energy: -60.292290
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -5.763
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: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -152.759217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.759217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.812591 (E_RNA)
where:
Base-Base interactions energy: -97.362
where: short stacking energy: -55.014
Base-Backbone interact. energy: -0.100
local terms energy: -55.351083
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -9.541
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -235.667531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.667531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.667531 (E_RNA)
where:
Base-Base interactions energy: -155.462
where: short stacking energy: -80.549
Base-Backbone interact. energy: -0.264
local terms energy: -79.942476
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -23.433
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: 2, replica: 9
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -222.967975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.967975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.930492 (E_RNA)
where:
Base-Base interactions energy: -145.374
where: short stacking energy: -76.289
Base-Backbone interact. energy: -0.004
local terms energy: -78.553450
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.963 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -232.403251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.403251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.576907 (E_RNA)
where:
Base-Base interactions energy: -157.218
where: short stacking energy: -68.594
Base-Backbone interact. energy: 0.334
local terms energy: -75.692896
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -180.818309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.818309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.852160 (E_RNA)
where:
Base-Base interactions energy: -111.512
where: short stacking energy: -71.739
Base-Backbone interact. energy: -0.282
local terms energy: -69.058598
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -15.602
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: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -211.090629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.090629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.481134 (E_RNA)
where:
Base-Base interactions energy: -144.021
where: short stacking energy: -74.079
Base-Backbone interact. energy: -0.286
local terms energy: -68.174222
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -11.095
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 1.391 (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: 309
Temperature: 1.150000
Total energy: -162.909376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.909376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.077050 (E_RNA)
where:
Base-Base interactions energy: -93.584
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.032
local terms energy: -69.461619
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -12.068
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: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -164.324550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.324550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.452422 (E_RNA)
where:
Base-Base interactions energy: -101.828
where: short stacking energy: -59.740
Base-Backbone interact. energy: 0.892
local terms energy: -63.516723
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -15.548
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: 309
Temperature: 1.250000
Total energy: -161.225661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.225661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.384459 (E_RNA)
where:
Base-Base interactions energy: -99.966
where: short stacking energy: -54.198
Base-Backbone interact. energy: 1.247
local terms energy: -62.665935
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -12.890
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: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -158.868980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.868980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.996215 (E_RNA)
where:
Base-Base interactions energy: -93.302
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.260
local terms energy: -65.434824
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -11.230
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: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -155.059344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.059344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.363354 (E_RNA)
where:
Base-Base interactions energy: -92.267
where: short stacking energy: -51.310
Base-Backbone interact. energy: -0.506
local terms energy: -62.590650
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -12.424
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: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -230.154208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.154208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.154208 (E_RNA)
where:
Base-Base interactions energy: -143.478
where: short stacking energy: -75.560
Base-Backbone interact. energy: 0.111
local terms energy: -86.787705
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -23.416
Dist. restrs. and SS energy: 0.000 (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: 310
Temperature: 0.950000
Total energy: -233.438930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.438930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.316321 (E_RNA)
where:
Base-Base interactions energy: -151.795
where: short stacking energy: -83.490
Base-Backbone interact. energy: -0.002
local terms energy: -82.519263
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -24.573
Dist. restrs. and SS energy: 0.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -228.875922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.875922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.891956 (E_RNA)
where:
Base-Base interactions energy: -158.256
where: short stacking energy: -67.545
Base-Backbone interact. energy: -0.050
local terms energy: -71.585273
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 1.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -184.850570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.850570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.198783 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -58.945
Base-Backbone interact. energy: 1.298
local terms energy: -78.326282
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -18.375
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: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -198.545593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.545593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.495681 (E_RNA)
where:
Base-Base interactions energy: -132.295
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.001
local terms energy: -67.199585
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -19.052
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -174.792349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.792349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.454344 (E_RNA)
where:
Base-Base interactions energy: -109.237
where: short stacking energy: -66.351
Base-Backbone interact. energy: -0.327
local terms energy: -65.890046
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -10.464
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: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -166.116936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.116936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.116936 (E_RNA)
where:
Base-Base interactions energy: -111.793
where: short stacking energy: -59.692
Base-Backbone interact. energy: -0.027
local terms energy: -54.297308
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -8.412
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: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -155.057471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.057471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.311374 (E_RNA)
where:
Base-Base interactions energy: -86.669
where: short stacking energy: -49.319
Base-Backbone interact. energy: -1.387
local terms energy: -67.255058
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -11.522
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: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -155.110265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.110265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.159331 (E_RNA)
where:
Base-Base interactions energy: -92.529
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.208
local terms energy: -62.422460
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -9.725
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: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -157.120501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.120501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.594347 (E_RNA)
where:
Base-Base interactions energy: -92.751
where: short stacking energy: -50.117
Base-Backbone interact. energy: -0.329
local terms energy: -65.514344
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 1.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -233.489520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.489520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.768530 (E_RNA)
where:
Base-Base interactions energy: -151.334
where: short stacking energy: -82.407
Base-Backbone interact. energy: -0.034
local terms energy: -83.400037
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 1.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -227.365297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.365297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.219315 (E_RNA)
where:
Base-Base interactions energy: -149.056
where: short stacking energy: -73.791
Base-Backbone interact. energy: 0.111
local terms energy: -79.274181
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -21.064
Dist. restrs. and SS energy: 0.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -228.317568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.317568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.402400 (E_RNA)
where:
Base-Base interactions energy: -148.060
where: short stacking energy: -77.052
Base-Backbone interact. energy: -0.005
local terms energy: -80.337890
where:
bonds (distance) C4'-P energy: -11.675
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -23.815
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: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -209.437898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.437898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.101004 (E_RNA)
where:
Base-Base interactions energy: -134.405
where: short stacking energy: -68.532
Base-Backbone interact. energy: -0.750
local terms energy: -74.946725
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.663 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -203.367361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.367361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.749804 (E_RNA)
where:
Base-Base interactions energy: -137.219
where: short stacking energy: -71.759
Base-Backbone interact. energy: -0.043
local terms energy: -66.488012
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -17.098
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: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -200.751302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.751302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.751302 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -71.351
Base-Backbone interact. energy: -0.390
local terms energy: -74.990325
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -9.780
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: -0.000 (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: 311
Temperature: 1.200000
Total energy: -166.986740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.986740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.182403 (E_RNA)
where:
Base-Base interactions energy: -97.436
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.133
local terms energy: -69.613680
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -160.454482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.454482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.711756 (E_RNA)
where:
Base-Base interactions energy: -95.470
where: short stacking energy: -61.206
Base-Backbone interact. energy: -0.044
local terms energy: -65.197888
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -158.665012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.665012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.114840 (E_RNA)
where:
Base-Base interactions energy: -93.907
where: short stacking energy: -50.312
Base-Backbone interact. energy: -0.762
local terms energy: -64.445919
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -12.067
Dist. restrs. and SS energy: 0.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -151.439898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.439898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.768392 (E_RNA)
where:
Base-Base interactions energy: -92.194
where: short stacking energy: -48.144
Base-Backbone interact. energy: -0.291
local terms energy: -59.283088
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -234.942077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.942077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.799777 (E_RNA)
where:
Base-Base interactions energy: -151.190
where: short stacking energy: -79.645
Base-Backbone interact. energy: -0.239
local terms energy: -84.371168
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.858 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -234.786414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.786414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.911129 (E_RNA)
where:
Base-Base interactions energy: -151.969
where: short stacking energy: -86.751
Base-Backbone interact. energy: -0.090
local terms energy: -82.851595
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -22.856
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: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -210.437043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.437043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248462 (E_RNA)
where:
Base-Base interactions energy: -133.041
where: short stacking energy: -71.215
Base-Backbone interact. energy: 0.364
local terms energy: -78.571893
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -211.838922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.838922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.916282 (E_RNA)
where:
Base-Base interactions energy: -136.589
where: short stacking energy: -73.327
Base-Backbone interact. energy: -0.303
local terms energy: -75.024881
where:
bonds (distance) C4'-P energy: -13.116
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -12.490
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -200.921254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.921254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.859516 (E_RNA)
where:
Base-Base interactions energy: -136.133
where: short stacking energy: -76.846
Base-Backbone interact. energy: -0.001
local terms energy: -65.725059
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.938 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -172.875097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.875097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.022251 (E_RNA)
where:
Base-Base interactions energy: -110.584
where: short stacking energy: -51.109
Base-Backbone interact. energy: -0.225
local terms energy: -62.213466
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -10.119
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: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -173.205095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.205095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.228853 (E_RNA)
where:
Base-Base interactions energy: -109.175
where: short stacking energy: -62.002
Base-Backbone interact. energy: -0.189
local terms energy: -63.864112
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -12.233
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: 10
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -154.041388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.041388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.216497 (E_RNA)
where:
Base-Base interactions energy: -89.754
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.418
local terms energy: -64.044641
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 0.175 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -147.694171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.694171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.017523 (E_RNA)
where:
Base-Base interactions energy: -87.067
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.883
local terms energy: -60.067862
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -9.480
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: 7
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -148.476547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.476547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.786820 (E_RNA)
where:
Base-Base interactions energy: -93.395
where: short stacking energy: -51.100
Base-Backbone interact. energy: -0.070
local terms energy: -55.322031
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -11.250
Dist. restrs. and SS energy: 0.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -239.104671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.104671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.033125 (E_RNA)
where:
Base-Base interactions energy: -158.235
where: short stacking energy: -82.567
Base-Backbone interact. energy: 1.319
local terms energy: -83.116850
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -228.974903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.974903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.095681 (E_RNA)
where:
Base-Base interactions energy: -152.778
where: short stacking energy: -73.572
Base-Backbone interact. energy: -0.631
local terms energy: -76.686531
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 1.121 (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: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -232.882272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.882272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.110904 (E_RNA)
where:
Base-Base interactions energy: -154.281
where: short stacking energy: -87.731
Base-Backbone interact. energy: -0.246
local terms energy: -78.583381
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -23.961
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: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -207.257279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.257279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.123923 (E_RNA)
where:
Base-Base interactions energy: -134.762
where: short stacking energy: -61.952
Base-Backbone interact. energy: -0.106
local terms energy: -73.256018
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.867 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -210.424613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.424613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.937951 (E_RNA)
where:
Base-Base interactions energy: -140.363
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.231
local terms energy: -70.344315
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -169.705650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.705650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.918116 (E_RNA)
where:
Base-Base interactions energy: -107.134
where: short stacking energy: -57.516
Base-Backbone interact. energy: -0.001
local terms energy: -62.783406
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -8.114
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -17.152
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: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -177.588633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.588633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.375481 (E_RNA)
where:
Base-Base interactions energy: -108.954
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.291
local terms energy: -69.130442
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -165.804612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.804612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.131950 (E_RNA)
where:
Base-Base interactions energy: -98.175
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.045
local terms energy: -67.912039
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -12.519
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: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -160.116947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.116947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.367463 (E_RNA)
where:
Base-Base interactions energy: -97.034
where: short stacking energy: -58.437
Base-Backbone interact. energy: -0.096
local terms energy: -63.238094
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -13.829
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -11.715
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: 7
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -145.222872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.222872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.575062 (E_RNA)
where:
Base-Base interactions energy: -86.975
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.009
local terms energy: -58.590879
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -236.628781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.628781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.912792 (E_RNA)
where:
Base-Base interactions energy: -152.809
where: short stacking energy: -85.760
Base-Backbone interact. energy: -0.003
local terms energy: -85.101485
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 1.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -216.092404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.092404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.982392 (E_RNA)
where:
Base-Base interactions energy: -142.202
where: short stacking energy: -71.733
Base-Backbone interact. energy: -0.415
local terms energy: -76.366032
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 2.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -232.711799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.711799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.729596 (E_RNA)
where:
Base-Base interactions energy: -159.570
where: short stacking energy: -88.947
Base-Backbone interact. energy: -0.017
local terms energy: -73.143465
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -10.222
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -24.489
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: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -214.168444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.168444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.275734 (E_RNA)
where:
Base-Base interactions energy: -141.408
where: short stacking energy: -73.233
Base-Backbone interact. energy: 0.082
local terms energy: -73.949837
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -20.549
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -211.213689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.213689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.210354 (E_RNA)
where:
Base-Base interactions energy: -140.574
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.437
local terms energy: -71.199449
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -162.916819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.916819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.015703 (E_RNA)
where:
Base-Base interactions energy: -96.005
where: short stacking energy: -59.469
Base-Backbone interact. energy: -0.119
local terms energy: -66.891896
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -12.093
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: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -177.971220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.971220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.043225 (E_RNA)
where:
Base-Base interactions energy: -114.184
where: short stacking energy: -62.733
Base-Backbone interact. energy: -0.006
local terms energy: -63.853310
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -11.913
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: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -176.257334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.257334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.294221 (E_RNA)
where:
Base-Base interactions energy: -117.494
where: short stacking energy: -58.640
Base-Backbone interact. energy: 0.123
local terms energy: -58.923378
where:
bonds (distance) C4'-P energy: -7.414
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -15.780
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: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -146.611452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.611452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.797064 (E_RNA)
where:
Base-Base interactions energy: -87.317
where: short stacking energy: -48.377
Base-Backbone interact. energy: 0.120
local terms energy: -59.600345
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -9.405
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: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -137.397263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.397263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.493481 (E_RNA)
where:
Base-Base interactions energy: -77.888
where: short stacking energy: -34.481
Base-Backbone interact. energy: -0.400
local terms energy: -59.205485
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -7.199
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -6.441
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: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -237.009751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.009751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.357155 (E_RNA)
where:
Base-Base interactions energy: -151.832
where: short stacking energy: -84.195
Base-Backbone interact. energy: -0.007
local terms energy: -86.518268
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -23.939
Dist. restrs. and SS energy: 1.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -235.900348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.900348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.906935 (E_RNA)
where:
Base-Base interactions energy: -147.216
where: short stacking energy: -78.089
Base-Backbone interact. energy: -1.812
local terms energy: -86.879268
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -21.350
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: 4
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -217.258294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.258294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.568182 (E_RNA)
where:
Base-Base interactions energy: -142.901
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.231
local terms energy: -75.435779
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 1.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -222.447804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.447804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.108920 (E_RNA)
where:
Base-Base interactions energy: -145.276
where: short stacking energy: -76.445
Base-Backbone interact. energy: -0.532
local terms energy: -78.300108
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -22.276
Dist. restrs. and SS energy: 1.661 (S_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: -200.794641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.794641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.268403 (E_RNA)
where:
Base-Base interactions energy: -128.395
where: short stacking energy: -72.939
Base-Backbone interact. energy: -0.029
local terms energy: -72.843562
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.474 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -171.431168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.431168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.442766 (E_RNA)
where:
Base-Base interactions energy: -103.268
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.104
local terms energy: -68.070884
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -14.461
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: 315
Temperature: 1.200000
Total energy: -166.221836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.221836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.342039 (E_RNA)
where:
Base-Base interactions energy: -97.026
where: short stacking energy: -51.831
Base-Backbone interact. energy: -0.470
local terms energy: -68.846370
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -13.243
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: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -161.816328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.816328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.906098 (E_RNA)
where:
Base-Base interactions energy: -102.715
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.098
local terms energy: -59.093131
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -8.625
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -16.795
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: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -145.890250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.890250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.031023 (E_RNA)
where:
Base-Base interactions energy: -93.347
where: short stacking energy: -46.490
Base-Backbone interact. energy: -0.106
local terms energy: -52.578040
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -5.986
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: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -137.134727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.134727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.196733 (E_RNA)
where:
Base-Base interactions energy: -85.493
where: short stacking energy: -39.856
Base-Backbone interact. energy: -0.865
local terms energy: -50.838769
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -7.418
tors. eta vs tors. theta energy: -4.309
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: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -242.806741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.806741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.806741 (E_RNA)
where:
Base-Base interactions energy: -163.041
where: short stacking energy: -91.067
Base-Backbone interact. energy: -0.001
local terms energy: -79.765024
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -25.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -227.306508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.306508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.147714 (E_RNA)
where:
Base-Base interactions energy: -146.103
where: short stacking energy: -75.001
Base-Backbone interact. energy: -0.368
local terms energy: -81.676227
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -234.550070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.550070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.550070 (E_RNA)
where:
Base-Base interactions energy: -154.695
where: short stacking energy: -85.695
Base-Backbone interact. energy: -0.000
local terms energy: -79.854710
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: -0.000 (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: 316
Temperature: 1.050000
Total energy: -220.040526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.040526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.115932 (E_RNA)
where:
Base-Base interactions energy: -146.373
where: short stacking energy: -79.035
Base-Backbone interact. energy: -0.038
local terms energy: -73.704935
where:
bonds (distance) C4'-P energy: -6.124
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -23.540
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: 1
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -181.017675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.017675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.325383 (E_RNA)
where:
Base-Base interactions energy: -107.791
where: short stacking energy: -64.188
Base-Backbone interact. energy: -1.346
local terms energy: -72.188325
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -14.485
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: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -179.751122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.751122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.593104 (E_RNA)
where:
Base-Base interactions energy: -113.203
where: short stacking energy: -60.430
Base-Backbone interact. energy: -1.689
local terms energy: -65.701394
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -165.732440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.732440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.040866 (E_RNA)
where:
Base-Base interactions energy: -102.547
where: short stacking energy: -49.820
Base-Backbone interact. energy: -0.364
local terms energy: -63.130446
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -8.355
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: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -168.285585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.285585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.168671 (E_RNA)
where:
Base-Base interactions energy: -112.962
where: short stacking energy: -58.233
Base-Backbone interact. energy: 1.089
local terms energy: -57.295815
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -132.257644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.257644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.257644 (E_RNA)
where:
Base-Base interactions energy: -85.893
where: short stacking energy: -34.815
Base-Backbone interact. energy: -0.065
local terms energy: -46.299402
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: 0.708
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: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -164.394436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.394436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.410737 (E_RNA)
where:
Base-Base interactions energy: -108.090
where: short stacking energy: -66.924
Base-Backbone interact. energy: -0.011
local terms energy: -56.309889
where:
bonds (distance) C4'-P energy: -8.550
bonds (distance) P-C4' energy: -12.041
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -13.901
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: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -237.720324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.720324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.720324 (E_RNA)
where:
Base-Base interactions energy: -152.885
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.429
local terms energy: -84.405844
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -24.530
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: 2, replica: 6
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -237.044735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.044735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.143850 (E_RNA)
where:
Base-Base interactions energy: -152.753
where: short stacking energy: -92.810
Base-Backbone interact. energy: -0.012
local terms energy: -84.378152
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -22.858
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: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -229.634423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.634423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.634423 (E_RNA)
where:
Base-Base interactions energy: -153.642
where: short stacking energy: -78.048
Base-Backbone interact. energy: 0.020
local terms energy: -76.012166
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -18.444
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: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -222.634419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.634419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.529027 (E_RNA)
where:
Base-Base interactions energy: -146.910
where: short stacking energy: -74.475
Base-Backbone interact. energy: -0.186
local terms energy: -76.432996
where:
bonds (distance) C4'-P energy: -16.656
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -20.344
Dist. restrs. and SS energy: 0.895 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -183.312111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.312111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.314546 (E_RNA)
where:
Base-Base interactions energy: -114.390
where: short stacking energy: -70.979
Base-Backbone interact. energy: -0.117
local terms energy: -68.807526
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -14.279
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: 317
Temperature: 1.150000
Total energy: -178.660514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.660514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.994026 (E_RNA)
where:
Base-Base interactions energy: -113.161
where: short stacking energy: -52.824
Base-Backbone interact. energy: 0.979
local terms energy: -66.811756
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -202.530983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.530983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.085451 (E_RNA)
where:
Base-Base interactions energy: -126.548
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.040
local terms energy: -76.497905
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -144.279032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.279032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.341353 (E_RNA)
where:
Base-Base interactions energy: -85.793
where: short stacking energy: -39.035
Base-Backbone interact. energy: -0.165
local terms energy: -58.383269
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -7.723
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: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -157.669767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.669767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.673126 (E_RNA)
where:
Base-Base interactions energy: -88.836
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.745
local terms energy: -68.092312
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -12.871
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: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -150.174095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.174095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.810112 (E_RNA)
where:
Base-Base interactions energy: -95.604
where: short stacking energy: -49.030
Base-Backbone interact. energy: -0.991
local terms energy: -54.215328
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -6.582
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.636 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -232.991181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.991181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.036790 (E_RNA)
where:
Base-Base interactions energy: -155.268
where: short stacking energy: -82.048
Base-Backbone interact. energy: -0.019
local terms energy: -77.749571
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -22.061
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: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -236.262642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.262642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.329768 (E_RNA)
where:
Base-Base interactions energy: -151.818
where: short stacking energy: -86.912
Base-Backbone interact. energy: -0.011
local terms energy: -84.500346
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -22.166
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: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -229.422301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.422301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.435806 (E_RNA)
where:
Base-Base interactions energy: -148.393
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.003
local terms energy: -81.039632
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -20.292
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: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -214.850108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.850108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.866146 (E_RNA)
where:
Base-Base interactions energy: -135.939
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.021
local terms energy: -78.905655
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -20.945
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: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -197.208866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.208866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.504330 (E_RNA)
where:
Base-Base interactions energy: -125.883
where: short stacking energy: -70.048
Base-Backbone interact. energy: -0.099
local terms energy: -71.522368
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -181.027911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.027911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.103376 (E_RNA)
where:
Base-Base interactions energy: -111.895
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.114
local terms energy: -69.094883
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -186.116631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.116631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.669256 (E_RNA)
where:
Base-Base interactions energy: -122.957
where: short stacking energy: -48.709
Base-Backbone interact. energy: -0.151
local terms energy: -64.561163
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 1.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -159.145560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.145560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.223851 (E_RNA)
where:
Base-Base interactions energy: -95.373
where: short stacking energy: -57.682
Base-Backbone interact. energy: -0.384
local terms energy: -63.466962
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -9.468
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: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -151.994487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.994487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.151147 (E_RNA)
where:
Base-Base interactions energy: -92.106
where: short stacking energy: -47.443
Base-Backbone interact. energy: -1.747
local terms energy: -58.298394
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -143.337616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.337616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.482074 (E_RNA)
where:
Base-Base interactions energy: -89.878
where: short stacking energy: -53.254
Base-Backbone interact. energy: -0.311
local terms energy: -53.293177
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -8.218
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -9.618
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: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -232.740463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.740463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.828705 (E_RNA)
where:
Base-Base interactions energy: -151.359
where: short stacking energy: -77.550
Base-Backbone interact. energy: -0.100
local terms energy: -81.369497
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -18.848
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: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -241.755770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.755770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.765050 (E_RNA)
where:
Base-Base interactions energy: -153.588
where: short stacking energy: -87.962
Base-Backbone interact. energy: -0.019
local terms energy: -88.157829
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -24.557
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: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -233.293754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.293754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.294019 (E_RNA)
where:
Base-Base interactions energy: -154.665
where: short stacking energy: -80.017
Base-Backbone interact. energy: -0.256
local terms energy: -78.372688
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -20.417
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: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -212.468477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.468477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.704086 (E_RNA)
where:
Base-Base interactions energy: -140.468
where: short stacking energy: -79.020
Base-Backbone interact. energy: 2.981
local terms energy: -75.216655
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -18.478
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -207.422754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.422754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.173702 (E_RNA)
where:
Base-Base interactions energy: -135.692
where: short stacking energy: -64.964
Base-Backbone interact. energy: -0.102
local terms energy: -72.379727
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -187.075682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.075682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.239853 (E_RNA)
where:
Base-Base interactions energy: -111.776
where: short stacking energy: -70.533
Base-Backbone interact. energy: -0.001
local terms energy: -75.462799
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -174.712028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.712028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.732299 (E_RNA)
where:
Base-Base interactions energy: -110.144
where: short stacking energy: -68.335
Base-Backbone interact. energy: -0.022
local terms energy: -64.566485
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -15.353
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: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -161.628359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.628359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.821937 (E_RNA)
where:
Base-Base interactions energy: -105.310
where: short stacking energy: -61.905
Base-Backbone interact. energy: -0.099
local terms energy: -56.413117
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -11.285
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: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -161.793125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.793125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.828353 (E_RNA)
where:
Base-Base interactions energy: -97.449
where: short stacking energy: -55.858
Base-Backbone interact. energy: -0.313
local terms energy: -64.066238
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -8.628
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: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -149.485395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.485395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.507978 (E_RNA)
where:
Base-Base interactions energy: -87.354
where: short stacking energy: -39.419
Base-Backbone interact. energy: 0.093
local terms energy: -62.246158
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -9.967
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: 320
Temperature: 0.900000
Total energy: -247.090581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.090581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.603073 (E_RNA)
where:
Base-Base interactions energy: -159.935
where: short stacking energy: -78.864
Base-Backbone interact. energy: -1.341
local terms energy: -87.326949
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 1.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -235.494934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.494934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.507260 (E_RNA)
where:
Base-Base interactions energy: -156.630
where: short stacking energy: -85.375
Base-Backbone interact. energy: -0.001
local terms energy: -78.875976
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -24.119
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: 320
Temperature: 1.000000
Total energy: -209.564021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.564021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.264693 (E_RNA)
where:
Base-Base interactions energy: -132.216
where: short stacking energy: -73.749
Base-Backbone interact. energy: -0.023
local terms energy: -78.025162
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.701 (S_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: 320
Temperature: 1.050000
Total energy: -225.645899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.645899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.261165 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -87.679
Base-Backbone interact. energy: -0.253
local terms energy: -75.652186
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 1.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -188.763350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.763350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.764385 (E_RNA)
where:
Base-Base interactions energy: -117.041
where: short stacking energy: -70.104
Base-Backbone interact. energy: -0.007
local terms energy: -71.716284
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -16.432
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: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -198.814667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.814667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.866246 (E_RNA)
where:
Base-Base interactions energy: -124.872
where: short stacking energy: -74.892
Base-Backbone interact. energy: -0.042
local terms energy: -73.952612
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -20.844
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: 320
Temperature: 1.200000
Total energy: -162.569802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.569802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.598699 (E_RNA)
where:
Base-Base interactions energy: -100.687
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.012
local terms energy: -61.899938
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -10.740
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: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -153.235056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.235056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.236551 (E_RNA)
where:
Base-Base interactions energy: -96.536
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.363
local terms energy: -56.337906
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -7.052
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: 8
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -156.122729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.122729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.429354 (E_RNA)
where:
Base-Base interactions energy: -93.300
where: short stacking energy: -52.085
Base-Backbone interact. energy: -0.164
local terms energy: -62.965654
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -11.439
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: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -144.738508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.738508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.088786 (E_RNA)
where:
Base-Base interactions energy: -87.756
where: short stacking energy: -56.661
Base-Backbone interact. energy: 0.022
local terms energy: -57.354431
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -13.718
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: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -235.071921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.071921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.543490 (E_RNA)
where:
Base-Base interactions energy: -154.372
where: short stacking energy: -81.475
Base-Backbone interact. energy: -1.476
local terms energy: -80.695807
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 1.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -211.563603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.563603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.081838 (E_RNA)
where:
Base-Base interactions energy: -141.845
where: short stacking energy: -70.804
Base-Backbone interact. energy: 0.413
local terms energy: -70.650109
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -15.739
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: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -219.757538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.757538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.861322 (E_RNA)
where:
Base-Base interactions energy: -131.855
where: short stacking energy: -69.458
Base-Backbone interact. energy: -2.131
local terms energy: -85.875346
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -21.058
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -206.777858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.777858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.785375 (E_RNA)
where:
Base-Base interactions energy: -131.562
where: short stacking energy: -76.012
Base-Backbone interact. energy: -0.389
local terms energy: -74.833965
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -20.146
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: 321
Temperature: 1.100000
Total energy: -201.307301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.307301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.481383 (E_RNA)
where:
Base-Base interactions energy: -119.723
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.454
local terms energy: -81.304204
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -168.505602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.505602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.510916 (E_RNA)
where:
Base-Base interactions energy: -104.161
where: short stacking energy: -56.067
Base-Backbone interact. energy: -0.082
local terms energy: -64.268302
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -12.499
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: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -157.048226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.048226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.265125 (E_RNA)
where:
Base-Base interactions energy: -98.045
where: short stacking energy: -53.920
Base-Backbone interact. energy: -1.391
local terms energy: -57.829176
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -10.497
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: 321
Temperature: 1.250000
Total energy: -167.813400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.813400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.408314 (E_RNA)
where:
Base-Base interactions energy: -101.934
where: short stacking energy: -65.927
Base-Backbone interact. energy: -0.890
local terms energy: -65.583618
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -12.616
Dist. restrs. and SS energy: 0.595 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -156.182071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.182071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.351737 (E_RNA)
where:
Base-Base interactions energy: -95.045
where: short stacking energy: -52.492
Base-Backbone interact. energy: -0.064
local terms energy: -61.242236
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -9.801
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: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -147.055448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.055448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.159436 (E_RNA)
where:
Base-Base interactions energy: -90.522
where: short stacking energy: -48.656
Base-Backbone interact. energy: 1.583
local terms energy: -58.220373
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -9.386
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: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -238.634566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.634566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.269291 (E_RNA)
where:
Base-Base interactions energy: -155.736
where: short stacking energy: -82.651
Base-Backbone interact. energy: -0.511
local terms energy: -84.021486
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -13.799
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 1.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -235.598725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.598725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.598725 (E_RNA)
where:
Base-Base interactions energy: -153.470
where: short stacking energy: -84.945
Base-Backbone interact. energy: -0.054
local terms energy: -82.074222
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.523
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: -0.000 (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: 322
Temperature: 1.000000
Total energy: -222.239887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.239887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.240930 (E_RNA)
where:
Base-Base interactions energy: -148.336
where: short stacking energy: -74.249
Base-Backbone interact. energy: -0.939
local terms energy: -72.965993
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -18.275
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: 322
Temperature: 1.050000
Total energy: -199.281790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.281790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.171618 (E_RNA)
where:
Base-Base interactions energy: -125.447
where: short stacking energy: -71.308
Base-Backbone interact. energy: -0.064
local terms energy: -74.661004
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -16.594
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -175.626458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.626458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.663022 (E_RNA)
where:
Base-Base interactions energy: -106.567
where: short stacking energy: -68.386
Base-Backbone interact. energy: -0.001
local terms energy: -69.094387
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -17.288
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: 322
Temperature: 1.150000
Total energy: -177.731622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.731622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.742199 (E_RNA)
where:
Base-Base interactions energy: -116.373
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.073
local terms energy: -61.295873
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -12.984
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: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -171.121001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.121001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.121001 (E_RNA)
where:
Base-Base interactions energy: -110.462
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.187
local terms energy: -60.471039
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (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: 322
Temperature: 1.250000
Total energy: -156.434765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.434765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.554212 (E_RNA)
where:
Base-Base interactions energy: -95.552
where: short stacking energy: -60.180
Base-Backbone interact. energy: -0.398
local terms energy: -60.604701
where:
bonds (distance) C4'-P energy: -8.268
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -12.279
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: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -161.286492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.286492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.540040 (E_RNA)
where:
Base-Base interactions energy: -103.784
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.259
local terms energy: -57.497027
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -13.743
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: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -161.936216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.936216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.986102 (E_RNA)
where:
Base-Base interactions energy: -105.690
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.005
local terms energy: -56.290513
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -14.623
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: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -221.813122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.813122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.442280 (E_RNA)
where:
Base-Base interactions energy: -142.604
where: short stacking energy: -79.373
Base-Backbone interact. energy: -0.021
local terms energy: -80.817614
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -21.634
Dist. restrs. and SS energy: 1.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -233.087708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.087708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.087708 (E_RNA)
where:
Base-Base interactions energy: -147.711
where: short stacking energy: -76.459
Base-Backbone interact. energy: -0.002
local terms energy: -85.374565
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -21.498
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: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -226.148647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.148647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.991378 (E_RNA)
where:
Base-Base interactions energy: -147.813
where: short stacking energy: -80.392
Base-Backbone interact. energy: -0.036
local terms energy: -79.142234
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -225.881164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.881164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.158137 (E_RNA)
where:
Base-Base interactions energy: -145.232
where: short stacking energy: -81.913
Base-Backbone interact. energy: -0.007
local terms energy: -80.919737
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -20.735
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: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -189.043623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.043623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.220990 (E_RNA)
where:
Base-Base interactions energy: -104.773
where: short stacking energy: -64.920
Base-Backbone interact. energy: -0.011
local terms energy: -84.436659
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -17.110
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: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -175.479951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.479951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.493966 (E_RNA)
where:
Base-Base interactions energy: -108.042
where: short stacking energy: -63.584
Base-Backbone interact. energy: 1.064
local terms energy: -68.515562
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -11.494
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: 323
Temperature: 1.200000
Total energy: -164.121013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.121013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.260130 (E_RNA)
where:
Base-Base interactions energy: -106.976
where: short stacking energy: -61.657
Base-Backbone interact. energy: -0.086
local terms energy: -57.198205
where:
bonds (distance) C4'-P energy: -12.067
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -12.031
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: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -150.640449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.640449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.909660 (E_RNA)
where:
Base-Base interactions energy: -89.422
where: short stacking energy: -43.322
Base-Backbone interact. energy: 0.317
local terms energy: -61.804693
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -149.870201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.870201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.870201 (E_RNA)
where:
Base-Base interactions energy: -99.216
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.098
local terms energy: -50.555817
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -11.686
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: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -163.360126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.360126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.422543 (E_RNA)
where:
Base-Base interactions energy: -95.171
where: short stacking energy: -56.566
Base-Backbone interact. energy: -0.019
local terms energy: -68.232332
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -18.764
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: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -234.709544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.709544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.709544 (E_RNA)
where:
Base-Base interactions energy: -152.501
where: short stacking energy: -79.668
Base-Backbone interact. energy: -0.001
local terms energy: -82.207719
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -20.702
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: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -239.670741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.670741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.632196 (E_RNA)
where:
Base-Base interactions energy: -156.807
where: short stacking energy: -80.718
Base-Backbone interact. energy: 0.077
local terms energy: -83.902766
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -20.620
Dist. restrs. and SS energy: 0.961 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -228.117850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.117850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.927313 (E_RNA)
where:
Base-Base interactions energy: -156.107
where: short stacking energy: -87.372
Base-Backbone interact. energy: -0.085
local terms energy: -72.734683
where:
bonds (distance) C4'-P energy: -8.429
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: 0.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -200.480736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.480736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.623287 (E_RNA)
where:
Base-Base interactions energy: -121.230
where: short stacking energy: -69.352
Base-Backbone interact. energy: -0.796
local terms energy: -78.596923
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -20.686
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: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -190.240801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.240801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.387594 (E_RNA)
where:
Base-Base interactions energy: -118.615
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.002
local terms energy: -71.770333
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -174.016022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.016022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.819350 (E_RNA)
where:
Base-Base interactions energy: -101.568
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.080
local terms energy: -73.170704
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.803 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -165.683371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.683371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.170859 (E_RNA)
where:
Base-Base interactions energy: -105.021
where: short stacking energy: -60.820
Base-Backbone interact. energy: 0.106
local terms energy: -61.256011
where:
bonds (distance) C4'-P energy: -7.249
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -159.768885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.768885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.050893 (E_RNA)
where:
Base-Base interactions energy: -101.468
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.025
local terms energy: -58.557887
where:
bonds (distance) C4'-P energy: -7.725
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -151.399141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.399141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.903906 (E_RNA)
where:
Base-Base interactions energy: -92.768
where: short stacking energy: -49.105
Base-Backbone interact. energy: -0.365
local terms energy: -58.771210
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -156.827115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.827115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.918144 (E_RNA)
where:
Base-Base interactions energy: -101.802
where: short stacking energy: -54.991
Base-Backbone interact. energy: -0.076
local terms energy: -55.039819
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -237.738048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.738048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.215110 (E_RNA)
where:
Base-Base interactions energy: -151.836
where: short stacking energy: -86.750
Base-Backbone interact. energy: -0.767
local terms energy: -85.612306
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.477 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -237.404975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.404975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.631268 (E_RNA)
where:
Base-Base interactions energy: -151.830
where: short stacking energy: -82.581
Base-Backbone interact. energy: -0.001
local terms energy: -85.800132
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -233.633891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.633891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.530438 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -82.572
Base-Backbone interact. energy: -0.049
local terms energy: -78.478313
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -20.988
Dist. restrs. and SS energy: 0.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -190.856216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.856216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.772735 (E_RNA)
where:
Base-Base interactions energy: -124.371
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.456
local terms energy: -66.945866
where:
bonds (distance) C4'-P energy: -12.403
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.917 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -194.855649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.855649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.987844 (E_RNA)
where:
Base-Base interactions energy: -117.292
where: short stacking energy: -70.136
Base-Backbone interact. energy: -0.069
local terms energy: -77.627069
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -16.971
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: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -171.778923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.778923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.902099 (E_RNA)
where:
Base-Base interactions energy: -107.620
where: short stacking energy: -64.944
Base-Backbone interact. energy: -1.204
local terms energy: -63.077516
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -10.581
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -170.352933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.352933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.777816 (E_RNA)
where:
Base-Base interactions energy: -105.838
where: short stacking energy: -60.707
Base-Backbone interact. energy: 0.095
local terms energy: -65.034839
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -9.766
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.425 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -166.244682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.244682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.268650 (E_RNA)
where:
Base-Base interactions energy: -102.779
where: short stacking energy: -63.084
Base-Backbone interact. energy: -0.030
local terms energy: -63.459535
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -11.565
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: 325
Temperature: 1.300000
Total energy: -155.448782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.448782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.454753 (E_RNA)
where:
Base-Base interactions energy: -100.389
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.094
local terms energy: -54.971874
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -9.347
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -3.773
tors. eta vs tors. theta energy: -13.075
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: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -142.270952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.270952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.299459 (E_RNA)
where:
Base-Base interactions energy: -89.767
where: short stacking energy: -47.684
Base-Backbone interact. energy: -0.835
local terms energy: -51.697231
where:
bonds (distance) C4'-P energy: -6.790
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -8.488
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: 326
Temperature: 0.900000
Total energy: -240.461502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.461502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.298236 (E_RNA)
where:
Base-Base interactions energy: -161.866
where: short stacking energy: -86.959
Base-Backbone interact. energy: -0.519
local terms energy: -79.913389
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 1.837 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -238.986287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.986287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.691180 (E_RNA)
where:
Base-Base interactions energy: -154.993
where: short stacking energy: -87.534
Base-Backbone interact. energy: -0.008
local terms energy: -84.690233
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -226.015796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.015796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.352658 (E_RNA)
where:
Base-Base interactions energy: -148.777
where: short stacking energy: -73.728
Base-Backbone interact. energy: -0.308
local terms energy: -78.267868
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 1.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -219.809073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.809073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.329707 (E_RNA)
where:
Base-Base interactions energy: -142.418
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.001
local terms energy: -77.911040
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -13.908
tors. eta vs tors. theta energy: -21.152
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: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -183.018390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.018390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.018390 (E_RNA)
where:
Base-Base interactions energy: -115.628
where: short stacking energy: -58.215
Base-Backbone interact. energy: -0.163
local terms energy: -67.227875
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -14.857
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: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -176.648680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.648680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.605773 (E_RNA)
where:
Base-Base interactions energy: -105.717
where: short stacking energy: -66.013
Base-Backbone interact. energy: -0.200
local terms energy: -72.688251
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 1.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -171.485217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.485217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.552215 (E_RNA)
where:
Base-Base interactions energy: -93.232
where: short stacking energy: -55.181
Base-Backbone interact. energy: -0.613
local terms energy: -77.707219
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -17.180
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: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -175.525314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.525314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.527246 (E_RNA)
where:
Base-Base interactions energy: -113.668
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.172
local terms energy: -61.686572
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -14.833
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: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -148.314235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.314235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.735483 (E_RNA)
where:
Base-Base interactions energy: -82.355
where: short stacking energy: -46.819
Base-Backbone interact. energy: 0.248
local terms energy: -66.628559
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -156.693471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.693471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.737083 (E_RNA)
where:
Base-Base interactions energy: -97.538
where: short stacking energy: -61.960
Base-Backbone interact. energy: -0.465
local terms energy: -58.734629
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -11.890
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: 327
Temperature: 0.900000
Total energy: -231.647010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.647010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.443938 (E_RNA)
where:
Base-Base interactions energy: -156.805
where: short stacking energy: -85.899
Base-Backbone interact. energy: -0.070
local terms energy: -75.568928
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.797 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -235.409027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.409027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.596057 (E_RNA)
where:
Base-Base interactions energy: -151.780
where: short stacking energy: -79.369
Base-Backbone interact. energy: -0.866
local terms energy: -82.949793
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -227.179027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.179027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.179027 (E_RNA)
where:
Base-Base interactions energy: -145.037
where: short stacking energy: -77.108
Base-Backbone interact. energy: -0.113
local terms energy: -82.029176
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: -0.000 (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: 327
Temperature: 1.050000
Total energy: -227.865517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.865517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.731763 (E_RNA)
where:
Base-Base interactions energy: -153.905
where: short stacking energy: -77.828
Base-Backbone interact. energy: 0.279
local terms energy: -75.105723
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.866 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -175.743904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.743904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.907985 (E_RNA)
where:
Base-Base interactions energy: -103.437
where: short stacking energy: -61.163
Base-Backbone interact. energy: -0.132
local terms energy: -72.338990
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -189.820104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.820104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.893728 (E_RNA)
where:
Base-Base interactions energy: -114.413
where: short stacking energy: -67.401
Base-Backbone interact. energy: 0.056
local terms energy: -75.536553
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -17.858
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: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -164.584323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.584323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.878439 (E_RNA)
where:
Base-Base interactions energy: -100.790
where: short stacking energy: -63.467
Base-Backbone interact. energy: -0.031
local terms energy: -64.057388
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -159.951540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.951540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.951540 (E_RNA)
where:
Base-Base interactions energy: -99.249
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.076
local terms energy: -60.626804
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (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: 327
Temperature: 1.300000
Total energy: -154.549024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.549024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.654621 (E_RNA)
where:
Base-Base interactions energy: -86.926
where: short stacking energy: -49.463
Base-Backbone interact. energy: -0.029
local terms energy: -67.699456
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -147.209398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.209398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.224028 (E_RNA)
where:
Base-Base interactions energy: -98.809
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.251
local terms energy: -48.164217
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -8.972
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: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -240.791539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.791539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.832753 (E_RNA)
where:
Base-Base interactions energy: -157.292
where: short stacking energy: -87.544
Base-Backbone interact. energy: -0.072
local terms energy: -83.468777
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -24.362
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: 328
Temperature: 0.950000
Total energy: -239.620521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.620521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.637401 (E_RNA)
where:
Base-Base interactions energy: -159.039
where: short stacking energy: -79.785
Base-Backbone interact. energy: 0.051
local terms energy: -80.648653
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -22.065
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: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -214.732350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.732350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.462204 (E_RNA)
where:
Base-Base interactions energy: -142.347
where: short stacking energy: -77.363
Base-Backbone interact. energy: -0.003
local terms energy: -73.111894
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.730 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -216.174935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.174935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.612934 (E_RNA)
where:
Base-Base interactions energy: -140.130
where: short stacking energy: -82.926
Base-Backbone interact. energy: -0.279
local terms energy: -78.203980
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 2.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -202.154316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.154316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.250420 (E_RNA)
where:
Base-Base interactions energy: -121.648
where: short stacking energy: -82.785
Base-Backbone interact. energy: -0.392
local terms energy: -80.210450
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -176.128172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.128172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.745929 (E_RNA)
where:
Base-Base interactions energy: -106.908
where: short stacking energy: -54.265
Base-Backbone interact. energy: -0.104
local terms energy: -69.733095
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.618 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -161.191800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.191800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.547679 (E_RNA)
where:
Base-Base interactions energy: -100.141
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.009
local terms energy: -61.398096
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -8.278
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: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -160.561288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.561288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.603243 (E_RNA)
where:
Base-Base interactions energy: -98.679
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.202
local terms energy: -61.722240
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -154.972703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.972703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.053804 (E_RNA)
where:
Base-Base interactions energy: -88.227
where: short stacking energy: -50.100
Base-Backbone interact. energy: -0.132
local terms energy: -66.694669
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -9.740
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -169.886437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.886437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.493291 (E_RNA)
where:
Base-Base interactions energy: -109.208
where: short stacking energy: -46.039
Base-Backbone interact. energy: -0.126
local terms energy: -61.159370
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -9.487
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -246.479037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.479037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.543536 (E_RNA)
where:
Base-Base interactions energy: -162.904
where: short stacking energy: -95.859
Base-Backbone interact. energy: -0.001
local terms energy: -83.638755
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -21.360
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: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -224.287726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.287726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.114434 (E_RNA)
where:
Base-Base interactions energy: -141.189
where: short stacking energy: -76.742
Base-Backbone interact. energy: 0.133
local terms energy: -84.058209
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -22.289
Dist. restrs. and SS energy: 0.827 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -233.630827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.630827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.996566 (E_RNA)
where:
Base-Base interactions energy: -152.103
where: short stacking energy: -82.804
Base-Backbone interact. energy: -0.000
local terms energy: -82.893349
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -17.366
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 1.366 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -208.923171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.923171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.923171 (E_RNA)
where:
Base-Base interactions energy: -138.863
where: short stacking energy: -74.741
Base-Backbone interact. energy: -0.001
local terms energy: -70.059214
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -18.625
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: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -222.223465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.223465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.233032 (E_RNA)
where:
Base-Base interactions energy: -142.309
where: short stacking energy: -76.783
Base-Backbone interact. energy: -0.003
local terms energy: -79.920989
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -22.203
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: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -174.915098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.915098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.946069 (E_RNA)
where:
Base-Base interactions energy: -105.525
where: short stacking energy: -65.464
Base-Backbone interact. energy: -0.756
local terms energy: -68.665275
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -14.269
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: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -179.319937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.319937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.270977 (E_RNA)
where:
Base-Base interactions energy: -116.450
where: short stacking energy: -65.621
Base-Backbone interact. energy: -0.257
local terms energy: -63.563849
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -15.938
Dist. restrs. and SS energy: 0.951 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -167.330358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.330358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.340639 (E_RNA)
where:
Base-Base interactions energy: -102.222
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.014
local terms energy: -65.104115
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -8.952
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: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -158.451883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.451883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.508873 (E_RNA)
where:
Base-Base interactions energy: -92.213
where: short stacking energy: -52.752
Base-Backbone interact. energy: -0.003
local terms energy: -66.293036
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -13.821
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: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -152.966889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.966889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.477020 (E_RNA)
where:
Base-Base interactions energy: -92.926
where: short stacking energy: -60.447
Base-Backbone interact. energy: -0.111
local terms energy: -60.440827
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -242.543252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.543252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.573795 (E_RNA)
where:
Base-Base interactions energy: -158.821
where: short stacking energy: -87.137
Base-Backbone interact. energy: -0.075
local terms energy: -83.678237
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -23.046
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: 330
Temperature: 0.950000
Total energy: -232.765029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.765029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.806723 (E_RNA)
where:
Base-Base interactions energy: -153.296
where: short stacking energy: -86.464
Base-Backbone interact. energy: -0.021
local terms energy: -80.490304
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 1.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -230.263159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.263159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.010007 (E_RNA)
where:
Base-Base interactions energy: -151.338
where: short stacking energy: -78.756
Base-Backbone interact. energy: -0.379
local terms energy: -79.292705
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -196.536921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.536921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.896471 (E_RNA)
where:
Base-Base interactions energy: -119.937
where: short stacking energy: -67.860
Base-Backbone interact. energy: -0.057
local terms energy: -76.902033
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -218.189886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.189886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.261737 (E_RNA)
where:
Base-Base interactions energy: -144.515
where: short stacking energy: -81.423
Base-Backbone interact. energy: -0.023
local terms energy: -73.724192
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -18.791
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: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -187.720666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.720666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.737284 (E_RNA)
where:
Base-Base interactions energy: -122.364
where: short stacking energy: -75.075
Base-Backbone interact. energy: 0.611
local terms energy: -65.984207
where:
bonds (distance) C4'-P energy: -10.490
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -16.404
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: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -166.477403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.477403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.591759 (E_RNA)
where:
Base-Base interactions energy: -102.064
where: short stacking energy: -51.149
Base-Backbone interact. energy: -0.172
local terms energy: -64.355512
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -11.951
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: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -165.831263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.831263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.853487 (E_RNA)
where:
Base-Base interactions energy: -100.383
where: short stacking energy: -51.585
Base-Backbone interact. energy: -0.062
local terms energy: -65.408812
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -11.893
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: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -158.747150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.747150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.747150 (E_RNA)
where:
Base-Base interactions energy: -95.378
where: short stacking energy: -53.182
Base-Backbone interact. energy: -0.035
local terms energy: -63.333975
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (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: 330
Temperature: 1.350000
Total energy: -154.841263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.841263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.889377 (E_RNA)
where:
Base-Base interactions energy: -96.823
where: short stacking energy: -52.638
Base-Backbone interact. energy: -0.583
local terms energy: -57.483289
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -9.260
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: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -246.784940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.784940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.827082 (E_RNA)
where:
Base-Base interactions energy: -159.986
where: short stacking energy: -93.159
Base-Backbone interact. energy: -0.066
local terms energy: -86.774961
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -23.932
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: 6
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -224.029583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.029583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.959221 (E_RNA)
where:
Base-Base interactions energy: -145.277
where: short stacking energy: -73.303
Base-Backbone interact. energy: -0.250
local terms energy: -79.432237
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.930 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -215.369674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.369674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.689206 (E_RNA)
where:
Base-Base interactions energy: -138.097
where: short stacking energy: -73.133
Base-Backbone interact. energy: -0.122
local terms energy: -77.469866
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.320 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -229.282944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.282944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.569085 (E_RNA)
where:
Base-Base interactions energy: -143.756
where: short stacking energy: -72.852
Base-Backbone interact. energy: -0.096
local terms energy: -85.717861
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -200.597359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.597359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.702466 (E_RNA)
where:
Base-Base interactions energy: -126.294
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.693
local terms energy: -73.715716
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -212.725267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.725267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.964370 (E_RNA)
where:
Base-Base interactions energy: -136.876
where: short stacking energy: -65.627
Base-Backbone interact. energy: 0.229
local terms energy: -76.317278
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -156.431654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.431654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.658583 (E_RNA)
where:
Base-Base interactions energy: -93.407
where: short stacking energy: -52.760
Base-Backbone interact. energy: -0.092
local terms energy: -63.159636
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -8.343
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -158.785863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.785863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.945806 (E_RNA)
where:
Base-Base interactions energy: -93.899
where: short stacking energy: -51.049
Base-Backbone interact. energy: -0.058
local terms energy: -64.988655
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -11.566
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: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -156.321224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.321224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.392626 (E_RNA)
where:
Base-Base interactions energy: -95.927
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.714
local terms energy: -59.752041
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -8.765
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: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -165.743750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.743750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.091755 (E_RNA)
where:
Base-Base interactions energy: -103.880
where: short stacking energy: -61.694
Base-Backbone interact. energy: 1.494
local terms energy: -63.705545
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -5.235
tors. eta vs tors. theta energy: -14.275
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: 6
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -234.110773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.110773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.838062 (E_RNA)
where:
Base-Base interactions energy: -146.575
where: short stacking energy: -79.662
Base-Backbone interact. energy: -0.039
local terms energy: -88.223457
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -242.642420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.642420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.681626 (E_RNA)
where:
Base-Base interactions energy: -159.007
where: short stacking energy: -92.587
Base-Backbone interact. energy: -0.789
local terms energy: -82.886129
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -24.035
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: 332
Temperature: 1.000000
Total energy: -201.443917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.443917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.547410 (E_RNA)
where:
Base-Base interactions energy: -123.953
where: short stacking energy: -74.839
Base-Backbone interact. energy: -0.048
local terms energy: -77.546758
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -16.250
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: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -206.100588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.100588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.857799 (E_RNA)
where:
Base-Base interactions energy: -135.698
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.060
local terms energy: -71.100154
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -218.132880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.132880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.160160 (E_RNA)
where:
Base-Base interactions energy: -148.231
where: short stacking energy: -82.045
Base-Backbone interact. energy: -0.001
local terms energy: -69.928066
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -17.445
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: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -193.683172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.683172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.871698 (E_RNA)
where:
Base-Base interactions energy: -125.253
where: short stacking energy: -66.039
Base-Backbone interact. energy: -0.385
local terms energy: -68.233751
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -13.743
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: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -190.225601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.296985 (E_RNA)
where:
Base-Base interactions energy: -116.835
where: short stacking energy: -70.604
Base-Backbone interact. energy: -0.073
local terms energy: -73.389117
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -15.448
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: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -159.685030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.685030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.024202 (E_RNA)
where:
Base-Base interactions energy: -93.496
where: short stacking energy: -53.822
Base-Backbone interact. energy: -0.999
local terms energy: -65.529106
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -151.895571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.895571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.926974 (E_RNA)
where:
Base-Base interactions energy: -99.490
where: short stacking energy: -49.570
Base-Backbone interact. energy: -1.276
local terms energy: -51.160251
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -6.412
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: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -151.688334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.688334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.246963 (E_RNA)
where:
Base-Base interactions energy: -95.893
where: short stacking energy: -57.359
Base-Backbone interact. energy: -0.045
local terms energy: -57.309437
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -13.707
Dist. restrs. and SS energy: 1.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -242.764053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.764053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.090189 (E_RNA)
where:
Base-Base interactions energy: -160.520
where: short stacking energy: -87.860
Base-Backbone interact. energy: -0.012
local terms energy: -82.557984
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.326 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -242.053502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.053502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.073851 (E_RNA)
where:
Base-Base interactions energy: -153.191
where: short stacking energy: -84.024
Base-Backbone interact. energy: -0.012
local terms energy: -88.871245
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -24.911
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: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -223.577345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.577345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.409231 (E_RNA)
where:
Base-Base interactions energy: -144.839
where: short stacking energy: -79.301
Base-Backbone interact. energy: -0.007
local terms energy: -79.563227
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -201.029705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.029705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.606114 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -56.711
Base-Backbone interact. energy: -0.224
local terms energy: -80.470409
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -179.923097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.923097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.204817 (E_RNA)
where:
Base-Base interactions energy: -108.305
where: short stacking energy: -72.375
Base-Backbone interact. energy: -0.066
local terms energy: -71.833808
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -213.357025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.357025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.410952 (E_RNA)
where:
Base-Base interactions energy: -142.224
where: short stacking energy: -70.781
Base-Backbone interact. energy: -0.003
local terms energy: -71.184114
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -18.322
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: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -185.320477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.320477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.424652 (E_RNA)
where:
Base-Base interactions energy: -117.130
where: short stacking energy: -63.134
Base-Backbone interact. energy: 0.688
local terms energy: -69.982873
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 1.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -171.106008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.106008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.103361 (E_RNA)
where:
Base-Base interactions energy: -110.387
where: short stacking energy: -51.787
Base-Backbone interact. energy: 0.660
local terms energy: -62.376128
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -158.530481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.530481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.639015 (E_RNA)
where:
Base-Base interactions energy: -99.020
where: short stacking energy: -61.482
Base-Backbone interact. energy: -0.308
local terms energy: -59.311355
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -7.987
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -15.231
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: 333
Temperature: 1.350000
Total energy: -162.676379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.676379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.757736 (E_RNA)
where:
Base-Base interactions energy: -99.034
where: short stacking energy: -57.536
Base-Backbone interact. energy: -0.703
local terms energy: -63.020279
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -15.618
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -237.808989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.808989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.825108 (E_RNA)
where:
Base-Base interactions energy: -154.762
where: short stacking energy: -82.612
Base-Backbone interact. energy: -0.018
local terms energy: -83.045272
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -13.610
tors. eta vs tors. theta energy: -21.853
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: 6
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -236.572314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.572314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.558008 (E_RNA)
where:
Base-Base interactions energy: -158.376
where: short stacking energy: -79.425
Base-Backbone interact. energy: -0.089
local terms energy: -79.093900
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.986 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -206.462447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.462447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.380993 (E_RNA)
where:
Base-Base interactions energy: -128.298
where: short stacking energy: -75.727
Base-Backbone interact. energy: -0.002
local terms energy: -80.080594
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 1.919 (S_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: 334
Temperature: 1.050000
Total energy: -202.290986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.290986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.463631 (E_RNA)
where:
Base-Base interactions energy: -125.748
where: short stacking energy: -68.611
Base-Backbone interact. energy: -0.143
local terms energy: -76.572773
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -200.262144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.262144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.634835 (E_RNA)
where:
Base-Base interactions energy: -124.322
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.175
local terms energy: -76.137135
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -14.842
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: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -173.990145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.990145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.027355 (E_RNA)
where:
Base-Base interactions energy: -104.759
where: short stacking energy: -59.012
Base-Backbone interact. energy: 1.298
local terms energy: -70.565527
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -10.122
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: 4
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -188.996933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.996933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.297942 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -64.492
Base-Backbone interact. energy: -0.172
local terms energy: -66.021276
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -163.243151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.243151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.243151 (E_RNA)
where:
Base-Base interactions energy: -108.964
where: short stacking energy: -46.274
Base-Backbone interact. energy: -0.243
local terms energy: -54.035870
where:
bonds (distance) C4'-P energy: -7.659
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -7.687
Dist. restrs. and SS energy: 0.000 (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: 334
Temperature: 1.300000
Total energy: -143.039925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.039925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.480912 (E_RNA)
where:
Base-Base interactions energy: -85.959
where: short stacking energy: -49.155
Base-Backbone interact. energy: -1.074
local terms energy: -56.447852
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.441 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -151.095122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.095122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.164954 (E_RNA)
where:
Base-Base interactions energy: -96.246
where: short stacking energy: -52.948
Base-Backbone interact. energy: -0.069
local terms energy: -54.849744
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -9.918
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: 335
Temperature: 0.900000
Total energy: -237.819241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.819241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.877062 (E_RNA)
where:
Base-Base interactions energy: -155.975
where: short stacking energy: -84.269
Base-Backbone interact. energy: -0.002
local terms energy: -81.899136
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -237.649280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.649280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.528437 (E_RNA)
where:
Base-Base interactions energy: -160.583
where: short stacking energy: -82.620
Base-Backbone interact. energy: -0.173
local terms energy: -77.772337
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.879 (S_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: 335
Temperature: 1.000000
Total energy: -200.909179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.909179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.469429 (E_RNA)
where:
Base-Base interactions energy: -129.111
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.133
local terms energy: -72.224707
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -199.448958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.448958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.562988 (E_RNA)
where:
Base-Base interactions energy: -125.713
where: short stacking energy: -64.314
Base-Backbone interact. energy: -0.007
local terms energy: -73.842649
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -18.385
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: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -202.842657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.842657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.207682 (E_RNA)
where:
Base-Base interactions energy: -125.982
where: short stacking energy: -63.478
Base-Backbone interact. energy: -0.636
local terms energy: -76.589766
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -15.137
tors. eta vs tors. theta energy: -14.701
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: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -171.325503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.325503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.357309 (E_RNA)
where:
Base-Base interactions energy: -103.684
where: short stacking energy: -60.470
Base-Backbone interact. energy: -1.147
local terms energy: -66.526243
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -9.463
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: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -170.770751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.770751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.976653 (E_RNA)
where:
Base-Base interactions energy: -99.555
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.046
local terms energy: -71.375510
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -9.356
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: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -180.868317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.868317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.908795 (E_RNA)
where:
Base-Base interactions energy: -114.700
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.001
local terms energy: -66.207609
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -17.252
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: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -154.544805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.544805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.249404 (E_RNA)
where:
Base-Base interactions energy: -92.745
where: short stacking energy: -58.083
Base-Backbone interact. energy: -0.034
local terms energy: -62.469856
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.705 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -141.420395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.420395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.420395 (E_RNA)
where:
Base-Base interactions energy: -91.113
where: short stacking energy: -49.408
Base-Backbone interact. energy: -0.271
local terms energy: -50.036319
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -5.164
Dist. restrs. and SS energy: 0.000 (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: 336
Temperature: 0.900000
Total energy: -234.545287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.545287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.470537 (E_RNA)
where:
Base-Base interactions energy: -154.846
where: short stacking energy: -82.544
Base-Backbone interact. energy: -0.576
local terms energy: -80.048487
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.925 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -223.493981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.493981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.596150 (E_RNA)
where:
Base-Base interactions energy: -140.557
where: short stacking energy: -81.921
Base-Backbone interact. energy: -0.519
local terms energy: -82.519870
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -22.758
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -201.653284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.653284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.405753 (E_RNA)
where:
Base-Base interactions energy: -125.612
where: short stacking energy: -63.370
Base-Backbone interact. energy: -0.004
local terms energy: -76.789143
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.752 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -210.533019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.533019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.883316 (E_RNA)
where:
Base-Base interactions energy: -136.484
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.240
local terms energy: -76.158810
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 2.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -186.768262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.768262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.858980 (E_RNA)
where:
Base-Base interactions energy: -116.073
where: short stacking energy: -72.456
Base-Backbone interact. energy: 0.031
local terms energy: -70.817579
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -13.149
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: 9
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -187.972487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.972487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.212046 (E_RNA)
where:
Base-Base interactions energy: -122.884
where: short stacking energy: -65.669
Base-Backbone interact. energy: 2.690
local terms energy: -68.018621
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -6.541
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -182.335166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.335166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.380506 (E_RNA)
where:
Base-Base interactions energy: -119.110
where: short stacking energy: -61.247
Base-Backbone interact. energy: 0.082
local terms energy: -63.352332
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -13.199
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: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -160.081184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.081184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.172378 (E_RNA)
where:
Base-Base interactions energy: -103.674
where: short stacking energy: -60.177
Base-Backbone interact. energy: 0.670
local terms energy: -57.168311
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -9.985
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: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -158.373435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.373435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.606819 (E_RNA)
where:
Base-Base interactions energy: -93.159
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.212
local terms energy: -65.235508
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -14.450
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: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -157.171502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.171502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.222844 (E_RNA)
where:
Base-Base interactions energy: -98.110
where: short stacking energy: -56.672
Base-Backbone interact. energy: -0.325
local terms energy: -58.787935
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -9.918
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: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -243.559905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.559905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.648067 (E_RNA)
where:
Base-Base interactions energy: -161.468
where: short stacking energy: -85.066
Base-Backbone interact. energy: -0.001
local terms energy: -82.179153
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -21.817
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: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -243.912423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.912423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.912423 (E_RNA)
where:
Base-Base interactions energy: -157.804
where: short stacking energy: -82.513
Base-Backbone interact. energy: -0.008
local terms energy: -86.100398
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -24.496
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: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -198.987641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.987641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.046225 (E_RNA)
where:
Base-Base interactions energy: -127.188
where: short stacking energy: -73.333
Base-Backbone interact. energy: -0.321
local terms energy: -71.537168
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -186.603274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.603274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.094031 (E_RNA)
where:
Base-Base interactions energy: -113.288
where: short stacking energy: -74.954
Base-Backbone interact. energy: -0.002
local terms energy: -73.803779
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -15.149
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: 5, replica: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -220.586579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.586579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.827545 (E_RNA)
where:
Base-Base interactions energy: -139.972
where: short stacking energy: -80.632
Base-Backbone interact. energy: -0.189
local terms energy: -82.665988
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 2.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -183.779845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.779845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.864483 (E_RNA)
where:
Base-Base interactions energy: -122.249
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.517
local terms energy: -61.098727
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -7.762
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -12.550
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: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -176.746400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.746400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.845961 (E_RNA)
where:
Base-Base interactions energy: -106.125
where: short stacking energy: -61.321
Base-Backbone interact. energy: -0.007
local terms energy: -70.713906
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -7.991
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -16.851
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: 8, replica: 5
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -159.845509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.845509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.896743 (E_RNA)
where:
Base-Base interactions energy: -103.113
where: short stacking energy: -61.829
Base-Backbone interact. energy: -0.048
local terms energy: -56.735303
where:
bonds (distance) C4'-P energy: -8.834
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -14.481
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: 337
Temperature: 1.300000
Total energy: -166.380349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.380349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.651365 (E_RNA)
where:
Base-Base interactions energy: -100.064
where: short stacking energy: -46.956
Base-Backbone interact. energy: -0.208
local terms energy: -66.379076
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -13.673
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: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -152.805318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.805318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.916532 (E_RNA)
where:
Base-Base interactions energy: -96.725
where: short stacking energy: -57.463
Base-Backbone interact. energy: -0.534
local terms energy: -55.657464
where:
bonds (distance) C4'-P energy: -7.050
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -8.527
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: 1, replica: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -241.176461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.176461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.219282 (E_RNA)
where:
Base-Base interactions energy: -153.190
where: short stacking energy: -80.067
Base-Backbone interact. energy: -0.006
local terms energy: -88.023149
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -231.491410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.491410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.988499 (E_RNA)
where:
Base-Base interactions energy: -150.711
where: short stacking energy: -78.827
Base-Backbone interact. energy: -0.045
local terms energy: -81.231736
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -25.098
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: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -209.069679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.069679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.218099 (E_RNA)
where:
Base-Base interactions energy: -138.929
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.490
local terms energy: -69.798882
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -18.366
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: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -185.470210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.470210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.957992 (E_RNA)
where:
Base-Base interactions energy: -120.267
where: short stacking energy: -72.997
Base-Backbone interact. energy: 0.643
local terms energy: -66.333411
where:
bonds (distance) C4'-P energy: -13.302
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -222.510357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.510357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.867670 (E_RNA)
where:
Base-Base interactions energy: -146.195
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.715
local terms energy: -75.957265
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -194.843731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.843731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.853280 (E_RNA)
where:
Base-Base interactions energy: -124.524
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.007
local terms energy: -70.322615
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -15.916
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: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -158.840585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.840585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.848307 (E_RNA)
where:
Base-Base interactions energy: -93.193
where: short stacking energy: -52.458
Base-Backbone interact. energy: -0.269
local terms energy: -65.386447
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -10.373
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: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -155.855737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.855737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.031207 (E_RNA)
where:
Base-Base interactions energy: -92.225
where: short stacking energy: -53.565
Base-Backbone interact. energy: -0.403
local terms energy: -63.403314
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -12.125
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: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -154.571190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.571190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.585644 (E_RNA)
where:
Base-Base interactions energy: -94.339
where: short stacking energy: -50.603
Base-Backbone interact. energy: -0.490
local terms energy: -59.756765
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -8.168
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: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -151.935709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.935709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.326912 (E_RNA)
where:
Base-Base interactions energy: -89.497
where: short stacking energy: -49.623
Base-Backbone interact. energy: -0.157
local terms energy: -62.672560
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -236.659634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.659634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.921053 (E_RNA)
where:
Base-Base interactions energy: -156.275
where: short stacking energy: -82.345
Base-Backbone interact. energy: -0.575
local terms energy: -80.071218
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -23.147
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: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -234.058533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.058533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.167578 (E_RNA)
where:
Base-Base interactions energy: -146.387
where: short stacking energy: -77.894
Base-Backbone interact. energy: -0.032
local terms energy: -87.748424
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -23.360
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: 1
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -233.041111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.041111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.047326 (E_RNA)
where:
Base-Base interactions energy: -149.650
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.000
local terms energy: -83.396505
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -21.971
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: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -220.462155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.462155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.546565 (E_RNA)
where:
Base-Base interactions energy: -143.389
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.010
local terms energy: -77.147499
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -19.895
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: 339
Temperature: 1.100000
Total energy: -176.493208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.493208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.545333 (E_RNA)
where:
Base-Base interactions energy: -112.100
where: short stacking energy: -64.969
Base-Backbone interact. energy: -0.438
local terms energy: -64.006773
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -15.692
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: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -184.065210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.065210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.440133 (E_RNA)
where:
Base-Base interactions energy: -115.358
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.002
local terms energy: -69.079891
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -171.480863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.480863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.558396 (E_RNA)
where:
Base-Base interactions energy: -99.440
where: short stacking energy: -54.992
Base-Backbone interact. energy: -0.060
local terms energy: -72.058893
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -11.374
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: 7
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -160.998605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.998605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.998605 (E_RNA)
where:
Base-Base interactions energy: -92.846
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.132
local terms energy: -68.020492
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -11.630
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: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -157.842811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.842811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.907064 (E_RNA)
where:
Base-Base interactions energy: -93.298
where: short stacking energy: -55.080
Base-Backbone interact. energy: -0.062
local terms energy: -64.546367
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -12.771
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: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -149.712238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.712238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.741019 (E_RNA)
where:
Base-Base interactions energy: -89.807
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.658
local terms energy: -59.275873
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -7.575
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: 340
Temperature: 0.900000
Total energy: -244.740892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.740892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.193614 (E_RNA)
where:
Base-Base interactions energy: -161.911
where: short stacking energy: -90.092
Base-Backbone interact. energy: -0.000
local terms energy: -83.282012
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -25.248
Dist. restrs. and SS energy: 0.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -232.199307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.199307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.238488 (E_RNA)
where:
Base-Base interactions energy: -154.712
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.776
local terms energy: -76.751077
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -16.011
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: 340
Temperature: 1.000000
Total energy: -238.007718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.007718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.013937 (E_RNA)
where:
Base-Base interactions energy: -156.936
where: short stacking energy: -85.993
Base-Backbone interact. energy: -0.490
local terms energy: -80.587656
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -18.398
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -20.482
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -211.268990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.268990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.433725 (E_RNA)
where:
Base-Base interactions energy: -137.504
where: short stacking energy: -80.735
Base-Backbone interact. energy: -0.003
local terms energy: -74.926994
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 1.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -186.186532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.186532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.246592 (E_RNA)
where:
Base-Base interactions energy: -113.070
where: short stacking energy: -63.560
Base-Backbone interact. energy: -1.396
local terms energy: -71.779955
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -14.632
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: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -177.923795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.923795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.067531 (E_RNA)
where:
Base-Base interactions energy: -100.672
where: short stacking energy: -59.308
Base-Backbone interact. energy: -0.327
local terms energy: -77.068121
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -17.291
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: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -178.557163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.557163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.646712 (E_RNA)
where:
Base-Base interactions energy: -112.658
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.049
local terms energy: -65.939340
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -10.070
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: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -172.724539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.724539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.847335 (E_RNA)
where:
Base-Base interactions energy: -108.407
where: short stacking energy: -66.492
Base-Backbone interact. energy: -0.015
local terms energy: -64.425745
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -14.367
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: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -144.172296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.172296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.506924 (E_RNA)
where:
Base-Base interactions energy: -91.564
where: short stacking energy: -56.307
Base-Backbone interact. energy: 0.030
local terms energy: -52.972672
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -6.791
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: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -149.980487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.980487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.076797 (E_RNA)
where:
Base-Base interactions energy: -97.408
where: short stacking energy: -53.395
Base-Backbone interact. energy: -0.531
local terms energy: -52.138358
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -8.824
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: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -236.674425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.674425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.555410 (E_RNA)
where:
Base-Base interactions energy: -157.228
where: short stacking energy: -82.948
Base-Backbone interact. energy: -0.000
local terms energy: -81.326988
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -23.583
Dist. restrs. and SS energy: 1.881 (S_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: 341
Temperature: 0.950000
Total energy: -234.378205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.378205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.775684 (E_RNA)
where:
Base-Base interactions energy: -149.970
where: short stacking energy: -84.181
Base-Backbone interact. energy: -0.000
local terms energy: -84.805440
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -22.375
Dist. restrs. and SS energy: 0.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -198.963952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.963952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.979053 (E_RNA)
where:
Base-Base interactions energy: -128.931
where: short stacking energy: -70.418
Base-Backbone interact. energy: 0.059
local terms energy: -70.106898
where:
bonds (distance) C4'-P energy: -7.000
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -16.872
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: 341
Temperature: 1.050000
Total energy: -197.396215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.396215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.459465 (E_RNA)
where:
Base-Base interactions energy: -125.552
where: short stacking energy: -67.305
Base-Backbone interact. energy: 0.818
local terms energy: -72.725450
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -10.164
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: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -201.359679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.359679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.350534 (E_RNA)
where:
Base-Base interactions energy: -135.353
where: short stacking energy: -69.047
Base-Backbone interact. energy: -0.007
local terms energy: -66.991095
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -8.711
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -13.513
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -183.979292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.979292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.019523 (E_RNA)
where:
Base-Base interactions energy: -112.528
where: short stacking energy: -72.280
Base-Backbone interact. energy: -0.290
local terms energy: -71.201076
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -18.480
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: 341
Temperature: 1.200000
Total energy: -174.611448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.611448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.668180 (E_RNA)
where:
Base-Base interactions energy: -105.772
where: short stacking energy: -62.989
Base-Backbone interact. energy: -0.011
local terms energy: -68.885310
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -16.192
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: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -171.273497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.273497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.541591 (E_RNA)
where:
Base-Base interactions energy: -102.107
where: short stacking energy: -62.776
Base-Backbone interact. energy: -0.124
local terms energy: -69.310124
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -159.433825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.433825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.589387 (E_RNA)
where:
Base-Base interactions energy: -96.776
where: short stacking energy: -57.678
Base-Backbone interact. energy: -0.284
local terms energy: -62.529892
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -12.269
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: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -156.112745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.112745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.137415 (E_RNA)
where:
Base-Base interactions energy: -91.636
where: short stacking energy: -57.043
Base-Backbone interact. energy: -0.040
local terms energy: -64.461569
where:
bonds (distance) C4'-P energy: -9.577
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -12.045
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: 342
Temperature: 0.900000
Total energy: -236.156093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.156093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.366466 (E_RNA)
where:
Base-Base interactions energy: -153.194
where: short stacking energy: -83.433
Base-Backbone interact. energy: -0.004
local terms energy: -84.168209
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 1.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -240.085648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.085648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.194299 (E_RNA)
where:
Base-Base interactions energy: -156.962
where: short stacking energy: -90.835
Base-Backbone interact. energy: -0.013
local terms energy: -83.219878
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -21.618
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: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -194.128354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.128354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.273801 (E_RNA)
where:
Base-Base interactions energy: -119.373
where: short stacking energy: -78.807
Base-Backbone interact. energy: -0.001
local terms energy: -74.899730
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -18.497
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: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -200.129231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.129231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.187190 (E_RNA)
where:
Base-Base interactions energy: -129.165
where: short stacking energy: -72.264
Base-Backbone interact. energy: -0.708
local terms energy: -70.314148
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -16.470
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: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -207.035802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.035802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.152493 (E_RNA)
where:
Base-Base interactions energy: -133.880
where: short stacking energy: -72.259
Base-Backbone interact. energy: -0.246
local terms energy: -73.025879
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -18.054
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: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -176.002154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.002154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.029093 (E_RNA)
where:
Base-Base interactions energy: -117.428
where: short stacking energy: -55.167
Base-Backbone interact. energy: -0.183
local terms energy: -58.417866
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -13.473
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: 342
Temperature: 1.200000
Total energy: -163.651784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.651784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.835840 (E_RNA)
where:
Base-Base interactions energy: -98.636
where: short stacking energy: -47.329
Base-Backbone interact. energy: -0.480
local terms energy: -64.720000
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -12.283
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: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -176.408075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.408075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.413010 (E_RNA)
where:
Base-Base interactions energy: -102.813
where: short stacking energy: -63.650
Base-Backbone interact. energy: -0.180
local terms energy: -73.420006
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -15.599
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: 9
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -145.617231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.617231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.625395 (E_RNA)
where:
Base-Base interactions energy: -90.509
where: short stacking energy: -42.360
Base-Backbone interact. energy: -0.193
local terms energy: -54.923309
where:
bonds (distance) C4'-P energy: -16.691
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -3.856
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: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -133.387758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.387758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.672203 (E_RNA)
where:
Base-Base interactions energy: -86.462
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.303
local terms energy: -46.906704
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -4.069
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -232.301161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.301161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.370930 (E_RNA)
where:
Base-Base interactions energy: -153.267
where: short stacking energy: -77.472
Base-Backbone interact. energy: -0.012
local terms energy: -80.092464
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 1.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -207.700677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.700677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.708802 (E_RNA)
where:
Base-Base interactions energy: -131.106
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.345
local terms energy: -77.257586
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -15.463
Dist. restrs. and SS energy: 1.008 (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: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -231.029201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.029201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.079365 (E_RNA)
where:
Base-Base interactions energy: -145.956
where: short stacking energy: -83.775
Base-Backbone interact. energy: -0.075
local terms energy: -85.047904
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -22.603
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: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -217.128959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.128959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.348671 (E_RNA)
where:
Base-Base interactions energy: -143.608
where: short stacking energy: -77.666
Base-Backbone interact. energy: -0.165
local terms energy: -74.575898
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 1.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -209.036628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.036628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.080814 (E_RNA)
where:
Base-Base interactions energy: -133.333
where: short stacking energy: -80.207
Base-Backbone interact. energy: -0.594
local terms energy: -75.153221
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -19.479
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -183.929526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.929526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.967792 (E_RNA)
where:
Base-Base interactions energy: -118.713
where: short stacking energy: -68.475
Base-Backbone interact. energy: -0.849
local terms energy: -64.405257
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -17.322
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: 7
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -169.416737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.416737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.519530 (E_RNA)
where:
Base-Base interactions energy: -102.916
where: short stacking energy: -57.358
Base-Backbone interact. energy: -0.129
local terms energy: -66.474972
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -11.473
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: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -156.478283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.478283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.502682 (E_RNA)
where:
Base-Base interactions energy: -102.576
where: short stacking energy: -58.272
Base-Backbone interact. energy: 0.033
local terms energy: -53.959551
where:
bonds (distance) C4'-P energy: -8.935
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -11.039
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: 343
Temperature: 1.300000
Total energy: -150.082916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.082916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.090170 (E_RNA)
where:
Base-Base interactions energy: -91.328
where: short stacking energy: -50.603
Base-Backbone interact. energy: -0.070
local terms energy: -58.692856
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -10.860
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: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -138.183086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.183086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.284626 (E_RNA)
where:
Base-Base interactions energy: -82.153
where: short stacking energy: -44.580
Base-Backbone interact. energy: 0.296
local terms energy: -56.427633
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -9.473
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: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -239.954940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.954940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.891833 (E_RNA)
where:
Base-Base interactions energy: -162.573
where: short stacking energy: -82.111
Base-Backbone interact. energy: 1.845
local terms energy: -81.164210
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -20.869
Dist. restrs. and SS energy: 1.937 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -227.058533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.058533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.191154 (E_RNA)
where:
Base-Base interactions energy: -140.062
where: short stacking energy: -81.370
Base-Backbone interact. energy: -0.578
local terms energy: -86.550967
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -218.464403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.464403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.516263 (E_RNA)
where:
Base-Base interactions energy: -147.887
where: short stacking energy: -76.198
Base-Backbone interact. energy: -0.373
local terms energy: -70.256140
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -18.583
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: 344
Temperature: 1.050000
Total energy: -197.380136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.380136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.616334 (E_RNA)
where:
Base-Base interactions energy: -126.485
where: short stacking energy: -77.016
Base-Backbone interact. energy: -0.020
local terms energy: -71.110982
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -15.134
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -227.130843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.130843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.360078 (E_RNA)
where:
Base-Base interactions energy: -147.809
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.000
local terms energy: -79.551128
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -178.597486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.597486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.597486 (E_RNA)
where:
Base-Base interactions energy: -107.318
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.787
local terms energy: -70.492899
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -19.823
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: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -179.641386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.641386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.826399 (E_RNA)
where:
Base-Base interactions energy: -105.392
where: short stacking energy: -65.208
Base-Backbone interact. energy: 0.442
local terms energy: -74.876809
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -13.929
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: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -154.354093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.354093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.405563 (E_RNA)
where:
Base-Base interactions energy: -93.737
where: short stacking energy: -48.746
Base-Backbone interact. energy: -0.169
local terms energy: -60.499659
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -8.241
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: 344
Temperature: 1.300000
Total energy: -153.184815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.184815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.621146 (E_RNA)
where:
Base-Base interactions energy: -93.429
where: short stacking energy: -57.433
Base-Backbone interact. energy: -0.307
local terms energy: -59.885905
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -148.835427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.835427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.971065 (E_RNA)
where:
Base-Base interactions energy: -91.247
where: short stacking energy: -44.352
Base-Backbone interact. energy: -1.150
local terms energy: -56.574098
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -10.369
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: 345
Temperature: 0.900000
Total energy: -234.410768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.410768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.917699 (E_RNA)
where:
Base-Base interactions energy: -159.079
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.297
local terms energy: -77.541979
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 2.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -229.413406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.413406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.462343 (E_RNA)
where:
Base-Base interactions energy: -148.023
where: short stacking energy: -73.378
Base-Backbone interact. energy: -0.059
local terms energy: -83.380038
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 2.049 (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: 2
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -203.962334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.962334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.962334 (E_RNA)
where:
Base-Base interactions energy: -128.796
where: short stacking energy: -71.610
Base-Backbone interact. energy: -0.016
local terms energy: -75.150901
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -16.015
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: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -181.130892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.130892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.144495 (E_RNA)
where:
Base-Base interactions energy: -113.861
where: short stacking energy: -68.674
Base-Backbone interact. energy: 0.664
local terms energy: -67.947854
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -17.286
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: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -190.786976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.786976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.818092 (E_RNA)
where:
Base-Base interactions energy: -117.322
where: short stacking energy: -64.792
Base-Backbone interact. energy: -0.050
local terms energy: -73.446187
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -15.414
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: 345
Temperature: 1.150000
Total energy: -179.314049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.314049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.369561 (E_RNA)
where:
Base-Base interactions energy: -110.225
where: short stacking energy: -73.599
Base-Backbone interact. energy: -0.003
local terms energy: -69.141679
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -12.930
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: 10
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -172.046033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.046033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.222217 (E_RNA)
where:
Base-Base interactions energy: -106.117
where: short stacking energy: -51.611
Base-Backbone interact. energy: 0.041
local terms energy: -66.146317
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -165.434788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.434788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.422939 (E_RNA)
where:
Base-Base interactions energy: -100.449
where: short stacking energy: -53.438
Base-Backbone interact. energy: -0.164
local terms energy: -65.809940
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.988 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -153.384781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.384781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.393210 (E_RNA)
where:
Base-Base interactions energy: -93.918
where: short stacking energy: -46.680
Base-Backbone interact. energy: 0.289
local terms energy: -59.764187
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -13.683
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: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -133.833507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.833507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.059249 (E_RNA)
where:
Base-Base interactions energy: -86.442
where: short stacking energy: -33.132
Base-Backbone interact. energy: -1.045
local terms energy: -46.572181
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: 3.412
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -236.945018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.945018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.300222 (E_RNA)
where:
Base-Base interactions energy: -158.525
where: short stacking energy: -76.947
Base-Backbone interact. energy: -0.007
local terms energy: -80.768483
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -21.251
Dist. restrs. and SS energy: 2.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -227.179025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.179025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.179025 (E_RNA)
where:
Base-Base interactions energy: -147.568
where: short stacking energy: -74.668
Base-Backbone interact. energy: 0.581
local terms energy: -80.192673
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: -0.000 (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: 346
Temperature: 1.000000
Total energy: -231.218463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.218463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.888172 (E_RNA)
where:
Base-Base interactions energy: -148.490
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.228
local terms energy: -84.170033
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -23.291
Dist. restrs. and SS energy: 1.670 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -185.891859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.891859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.933933 (E_RNA)
where:
Base-Base interactions energy: -111.696
where: short stacking energy: -67.330
Base-Backbone interact. energy: -1.223
local terms energy: -73.015092
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -13.333
tors. eta vs tors. theta energy: -15.360
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: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -182.574572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.574572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.706479 (E_RNA)
where:
Base-Base interactions energy: -112.737
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.174
local terms energy: -69.795450
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -14.798
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: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -186.845061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.845061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.858841 (E_RNA)
where:
Base-Base interactions energy: -119.646
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.611
local terms energy: -66.601997
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -12.199
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -13.864
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: 346
Temperature: 1.200000
Total energy: -176.801764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.801764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.096641 (E_RNA)
where:
Base-Base interactions energy: -106.540
where: short stacking energy: -57.892
Base-Backbone interact. energy: 0.316
local terms energy: -70.872604
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -12.083
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -162.297856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.297856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.519811 (E_RNA)
where:
Base-Base interactions energy: -100.031
where: short stacking energy: -58.078
Base-Backbone interact. energy: -0.133
local terms energy: -62.355614
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -12.859
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -163.312484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.312484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.339860 (E_RNA)
where:
Base-Base interactions energy: -108.571
where: short stacking energy: -48.123
Base-Backbone interact. energy: -0.681
local terms energy: -54.087325
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -7.497
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -9.634
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: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -149.728783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.728783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.923952 (E_RNA)
where:
Base-Base interactions energy: -103.862
where: short stacking energy: -58.013
Base-Backbone interact. energy: -0.167
local terms energy: -45.894702
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -6.716
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: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -236.102367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.102367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.750602 (E_RNA)
where:
Base-Base interactions energy: -156.467
where: short stacking energy: -76.565
Base-Backbone interact. energy: -0.012
local terms energy: -80.271648
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -233.765033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.765033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.956847 (E_RNA)
where:
Base-Base interactions energy: -156.026
where: short stacking energy: -83.345
Base-Backbone interact. energy: -0.034
local terms energy: -77.897450
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -15.581
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -20.332
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: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -216.102244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.102244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.336561 (E_RNA)
where:
Base-Base interactions energy: -139.452
where: short stacking energy: -77.743
Base-Backbone interact. energy: -0.297
local terms energy: -76.586820
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -206.200638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.200638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.266588 (E_RNA)
where:
Base-Base interactions energy: -129.555
where: short stacking energy: -79.711
Base-Backbone interact. energy: -0.008
local terms energy: -76.703472
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -20.189
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: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -192.290737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.290737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.339008 (E_RNA)
where:
Base-Base interactions energy: -126.432
where: short stacking energy: -71.502
Base-Backbone interact. energy: -0.098
local terms energy: -65.809450
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -14.002
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: 347
Temperature: 1.150000
Total energy: -177.323472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.323472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.636226 (E_RNA)
where:
Base-Base interactions energy: -108.903
where: short stacking energy: -68.091
Base-Backbone interact. energy: -0.011
local terms energy: -68.721733
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -162.976474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.976474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.084948 (E_RNA)
where:
Base-Base interactions energy: -110.343
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.291
local terms energy: -52.450309
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -151.459517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.459517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.568409 (E_RNA)
where:
Base-Base interactions energy: -95.232
where: short stacking energy: -48.725
Base-Backbone interact. energy: -0.552
local terms energy: -55.784906
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -6.993
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -12.259
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: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -165.267648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.267648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.328039 (E_RNA)
where:
Base-Base interactions energy: -100.810
where: short stacking energy: -55.982
Base-Backbone interact. energy: -0.024
local terms energy: -64.494342
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -13.818
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: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -146.721621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.721621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.838731 (E_RNA)
where:
Base-Base interactions energy: -81.943
where: short stacking energy: -44.321
Base-Backbone interact. energy: -0.044
local terms energy: -64.852626
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -5.999
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: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -231.756702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.756702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.015396 (E_RNA)
where:
Base-Base interactions energy: -146.648
where: short stacking energy: -76.721
Base-Backbone interact. energy: -0.788
local terms energy: -84.579608
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -21.913
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -236.690794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.690794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.732047 (E_RNA)
where:
Base-Base interactions energy: -161.497
where: short stacking energy: -84.430
Base-Backbone interact. energy: -0.008
local terms energy: -76.227036
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 1.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -239.742263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.742263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.826383 (E_RNA)
where:
Base-Base interactions energy: -153.595
where: short stacking energy: -75.079
Base-Backbone interact. energy: -0.014
local terms energy: -86.217844
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -23.435
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: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -203.378145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.378145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.577142 (E_RNA)
where:
Base-Base interactions energy: -124.941
where: short stacking energy: -74.754
Base-Backbone interact. energy: -0.004
local terms energy: -78.632479
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -20.221
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: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -182.836168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.836168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.911016 (E_RNA)
where:
Base-Base interactions energy: -117.166
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.025
local terms energy: -65.720074
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -16.529
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: 348
Temperature: 1.150000
Total energy: -182.469368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.469368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.526823 (E_RNA)
where:
Base-Base interactions energy: -114.093
where: short stacking energy: -47.912
Base-Backbone interact. energy: -0.032
local terms energy: -68.401870
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -10.381
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: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -176.204666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.204666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.291762 (E_RNA)
where:
Base-Base interactions energy: -111.269
where: short stacking energy: -61.370
Base-Backbone interact. energy: -0.136
local terms energy: -64.887608
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -9.496
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: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -162.889508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.889508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.901750 (E_RNA)
where:
Base-Base interactions energy: -104.518
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.221
local terms energy: -58.163485
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -13.537
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: 348
Temperature: 1.300000
Total energy: -158.863082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.863082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.355642 (E_RNA)
where:
Base-Base interactions energy: -99.912
where: short stacking energy: -52.316
Base-Backbone interact. energy: 0.960
local terms energy: -60.403654
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -3.658
tors. eta vs tors. theta energy: -12.020
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -163.815611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.815611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.834699 (E_RNA)
where:
Base-Base interactions energy: -116.818
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.104
local terms energy: -46.912935
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -7.331
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -6.682
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: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -239.049487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.049487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.223254 (E_RNA)
where:
Base-Base interactions energy: -161.748
where: short stacking energy: -85.487
Base-Backbone interact. energy: -0.038
local terms energy: -77.436704
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -21.470
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: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -239.159059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.159059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.245817 (E_RNA)
where:
Base-Base interactions energy: -152.764
where: short stacking energy: -82.283
Base-Backbone interact. energy: -0.005
local terms energy: -86.476338
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -23.127
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: 349
Temperature: 1.000000
Total energy: -229.367393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.367393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.526451 (E_RNA)
where:
Base-Base interactions energy: -148.760
where: short stacking energy: -77.347
Base-Backbone interact. energy: -0.636
local terms energy: -81.130090
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -213.881236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.881236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.913107 (E_RNA)
where:
Base-Base interactions energy: -139.080
where: short stacking energy: -77.450
Base-Backbone interact. energy: -0.279
local terms energy: -74.554027
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -19.496
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: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -197.148533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.148533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.642323 (E_RNA)
where:
Base-Base interactions energy: -119.851
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.290
local terms energy: -77.501289
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -178.264428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.264428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.604731 (E_RNA)
where:
Base-Base interactions energy: -117.407
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.677
local terms energy: -60.521131
where:
bonds (distance) C4'-P energy: -8.359
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -7.217
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -169.533510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.533510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.629959 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -66.158
Base-Backbone interact. energy: -0.127
local terms energy: -61.667438
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -9.650
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: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -173.016180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.016180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.431313 (E_RNA)
where:
Base-Base interactions energy: -111.303
where: short stacking energy: -63.881
Base-Backbone interact. energy: -0.150
local terms energy: -61.979000
where:
bonds (distance) C4'-P energy: -7.361
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -148.114711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.114711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.369690 (E_RNA)
where:
Base-Base interactions energy: -94.587
where: short stacking energy: -49.150
Base-Backbone interact. energy: 0.230
local terms energy: -54.013043
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -9.711
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -141.756215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.756215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.876287 (E_RNA)
where:
Base-Base interactions energy: -89.680
where: short stacking energy: -46.952
Base-Backbone interact. energy: 2.355
local terms energy: -54.551523
where:
bonds (distance) C4'-P energy: -8.739
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -6.139
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: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -240.026787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.026787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.148677 (E_RNA)
where:
Base-Base interactions energy: -158.159
where: short stacking energy: -87.772
Base-Backbone interact. energy: -0.005
local terms energy: -81.984463
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -22.198
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: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -238.729571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.729571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.732566 (E_RNA)
where:
Base-Base interactions energy: -158.057
where: short stacking energy: -85.076
Base-Backbone interact. energy: -0.703
local terms energy: -79.972597
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -24.863
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: 350
Temperature: 1.000000
Total energy: -211.285545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.285545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.520333 (E_RNA)
where:
Base-Base interactions energy: -134.654
where: short stacking energy: -73.829
Base-Backbone interact. energy: -0.010
local terms energy: -77.856926
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -20.991
Dist. restrs. and SS energy: 1.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -207.596332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.596332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.202292 (E_RNA)
where:
Base-Base interactions energy: -138.767
where: short stacking energy: -59.854
Base-Backbone interact. energy: -0.130
local terms energy: -69.304960
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -174.191818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.191818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.479513 (E_RNA)
where:
Base-Base interactions energy: -105.510
where: short stacking energy: -50.408
Base-Backbone interact. energy: -0.091
local terms energy: -68.878060
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -14.225
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: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -184.666736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.666736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.205279 (E_RNA)
where:
Base-Base interactions energy: -111.964
where: short stacking energy: -66.953
Base-Backbone interact. energy: -0.235
local terms energy: -73.006219
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -12.424
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -184.371269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.371269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.632358 (E_RNA)
where:
Base-Base interactions energy: -115.907
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.254
local terms energy: -68.470762
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -3.055
tors. eta vs tors. theta energy: -19.463
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: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -158.789787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.789787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.967033 (E_RNA)
where:
Base-Base interactions energy: -93.844
where: short stacking energy: -54.587
Base-Backbone interact. energy: -0.434
local terms energy: -64.688753
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -9.829
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: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -155.877280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.877280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.000904 (E_RNA)
where:
Base-Base interactions energy: -101.973
where: short stacking energy: -41.232
Base-Backbone interact. energy: 1.730
local terms energy: -55.757786
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -146.461573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.461573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.747194 (E_RNA)
where:
Base-Base interactions energy: -85.780
where: short stacking energy: -42.411
Base-Backbone interact. energy: -0.653
local terms energy: -60.313650
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -240.773445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.773445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.829987 (E_RNA)
where:
Base-Base interactions energy: -162.633
where: short stacking energy: -84.165
Base-Backbone interact. energy: -0.002
local terms energy: -78.195486
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -21.221
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: 351
Temperature: 0.950000
Total energy: -233.520242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.520242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.553031 (E_RNA)
where:
Base-Base interactions energy: -152.896
where: short stacking energy: -78.621
Base-Backbone interact. energy: -0.001
local terms energy: -80.656582
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -21.056
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: 351
Temperature: 1.000000
Total energy: -225.763489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.763489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.492521 (E_RNA)
where:
Base-Base interactions energy: -152.854
where: short stacking energy: -72.822
Base-Backbone interact. energy: -0.031
local terms energy: -73.607106
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -16.234
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.729 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -200.460086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.460086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.199977 (E_RNA)
where:
Base-Base interactions energy: -131.929
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.465
local terms energy: -68.806700
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.740 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -184.291415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.291415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.484426 (E_RNA)
where:
Base-Base interactions energy: -113.748
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.074
local terms energy: -71.661725
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -14.938
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -14.846
Dist. restrs. and SS energy: 1.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -171.100183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.100183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.103271 (E_RNA)
where:
Base-Base interactions energy: -105.455
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.103
local terms energy: -65.544579
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -13.578
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: 351
Temperature: 1.200000
Total energy: -171.400458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.400458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.490024 (E_RNA)
where:
Base-Base interactions energy: -108.372
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.913
local terms energy: -62.205613
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -8.878
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: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -152.369567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.369567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.799610 (E_RNA)
where:
Base-Base interactions energy: -91.050
where: short stacking energy: -51.235
Base-Backbone interact. energy: 0.117
local terms energy: -61.866714
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -9.934
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: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -171.744787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.744787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.838227 (E_RNA)
where:
Base-Base interactions energy: -101.635
where: short stacking energy: -60.984
Base-Backbone interact. energy: 1.057
local terms energy: -71.260418
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -13.957
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: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -174.241741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.241741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.499593 (E_RNA)
where:
Base-Base interactions energy: -108.864
where: short stacking energy: -61.097
Base-Backbone interact. energy: -0.007
local terms energy: -65.627921
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -6.168
tors. eta vs tors. theta energy: -15.871
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: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -248.487567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.487567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.621234 (E_RNA)
where:
Base-Base interactions energy: -162.065
where: short stacking energy: -92.379
Base-Backbone interact. energy: -0.170
local terms energy: -86.386259
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -22.912
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -230.287532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.287532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.721053 (E_RNA)
where:
Base-Base interactions energy: -155.391
where: short stacking energy: -69.622
Base-Backbone interact. energy: -0.002
local terms energy: -75.328356
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -22.393
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -217.236364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.236364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.766616 (E_RNA)
where:
Base-Base interactions energy: -148.895
where: short stacking energy: -71.975
Base-Backbone interact. energy: 0.045
local terms energy: -68.916584
where:
bonds (distance) C4'-P energy: -7.377
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -224.251547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.251547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.401314 (E_RNA)
where:
Base-Base interactions energy: -148.674
where: short stacking energy: -83.823
Base-Backbone interact. energy: -0.002
local terms energy: -75.725678
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -20.653
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: 8
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -185.953974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.953974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.798162 (E_RNA)
where:
Base-Base interactions energy: -116.868
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.104
local terms energy: -69.826689
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -187.328056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.328056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.369516 (E_RNA)
where:
Base-Base interactions energy: -114.733
where: short stacking energy: -74.274
Base-Backbone interact. energy: -0.146
local terms energy: -72.489678
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -14.998
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -185.753261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.753261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.847932 (E_RNA)
where:
Base-Base interactions energy: -114.645
where: short stacking energy: -68.764
Base-Backbone interact. energy: -0.012
local terms energy: -71.190336
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -168.477020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.477020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.413510 (E_RNA)
where:
Base-Base interactions energy: -105.232
where: short stacking energy: -57.906
Base-Backbone interact. energy: -0.527
local terms energy: -63.654074
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.936 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -163.463386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.463386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.912707 (E_RNA)
where:
Base-Base interactions energy: -105.469
where: short stacking energy: -50.210
Base-Backbone interact. energy: -0.122
local terms energy: -59.321828
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -11.550
Dist. restrs. and SS energy: 1.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -151.494099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.494099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.617552 (E_RNA)
where:
Base-Base interactions energy: -96.711
where: short stacking energy: -59.713
Base-Backbone interact. energy: -0.011
local terms energy: -56.895024
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 2.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -242.144324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.144324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.195515 (E_RNA)
where:
Base-Base interactions energy: -157.150
where: short stacking energy: -79.360
Base-Backbone interact. energy: -0.342
local terms energy: -84.703821
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -22.291
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -234.634061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.634061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.061972 (E_RNA)
where:
Base-Base interactions energy: -156.169
where: short stacking energy: -75.185
Base-Backbone interact. energy: -0.003
local terms energy: -79.889941
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -21.604
Dist. restrs. and SS energy: 1.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -226.813756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.813756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.234303 (E_RNA)
where:
Base-Base interactions energy: -147.350
where: short stacking energy: -76.952
Base-Backbone interact. energy: -1.273
local terms energy: -78.611043
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -175.460830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.460830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.711073 (E_RNA)
where:
Base-Base interactions energy: -111.687
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.106
local terms energy: -63.918045
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -13.915
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: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -200.824686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.824686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.020944 (E_RNA)
where:
Base-Base interactions energy: -129.551
where: short stacking energy: -62.791
Base-Backbone interact. energy: -0.661
local terms energy: -71.809370
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -157.577696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.577696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.811194 (E_RNA)
where:
Base-Base interactions energy: -99.419
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.171
local terms energy: -58.221363
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -9.193
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: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -169.189775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.189775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.108433 (E_RNA)
where:
Base-Base interactions energy: -110.087
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.231
local terms energy: -60.790044
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -9.839
Dist. restrs. and SS energy: 1.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -146.524384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.524384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.901408 (E_RNA)
where:
Base-Base interactions energy: -89.969
where: short stacking energy: -50.028
Base-Backbone interact. energy: -1.095
local terms energy: -55.837655
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -12.680
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -7.689
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: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -166.136285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.136285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.136285 (E_RNA)
where:
Base-Base interactions energy: -100.560
where: short stacking energy: -56.078
Base-Backbone interact. energy: -0.048
local terms energy: -65.528237
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -15.339
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: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -146.244696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.244696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.710322 (E_RNA)
where:
Base-Base interactions energy: -96.702
where: short stacking energy: -44.503
Base-Backbone interact. energy: -0.034
local terms energy: -49.973788
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -242.948576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.948576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.948971 (E_RNA)
where:
Base-Base interactions energy: -165.639
where: short stacking energy: -88.490
Base-Backbone interact. energy: -0.003
local terms energy: -77.307198
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -20.776
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: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -236.942606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.942606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.942606 (E_RNA)
where:
Base-Base interactions energy: -159.862
where: short stacking energy: -86.655
Base-Backbone interact. energy: -0.003
local terms energy: -77.077566
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (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: 354
Temperature: 1.000000
Total energy: -205.379651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.379651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.433349 (E_RNA)
where:
Base-Base interactions energy: -126.329
where: short stacking energy: -66.419
Base-Backbone interact. energy: -0.069
local terms energy: -79.035519
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -17.636
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: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -177.474314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.474314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.556530 (E_RNA)
where:
Base-Base interactions energy: -110.050
where: short stacking energy: -66.248
Base-Backbone interact. energy: -0.166
local terms energy: -67.340240
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -206.399096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.399096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.141975 (E_RNA)
where:
Base-Base interactions energy: -137.642
where: short stacking energy: -65.611
Base-Backbone interact. energy: 0.005
local terms energy: -69.504712
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.743 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -175.026779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.026779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.058549 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.247
local terms energy: -66.640155
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -13.000
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: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -177.379421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.379421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.535248 (E_RNA)
where:
Base-Base interactions energy: -106.287
where: short stacking energy: -61.718
Base-Backbone interact. energy: -0.063
local terms energy: -71.184927
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -17.502
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: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -147.275191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.275191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.515144 (E_RNA)
where:
Base-Base interactions energy: -90.901
where: short stacking energy: -49.077
Base-Backbone interact. energy: -0.141
local terms energy: -56.473493
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -6.695
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: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -152.329506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.329506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.428437 (E_RNA)
where:
Base-Base interactions energy: -93.809
where: short stacking energy: -53.554
Base-Backbone interact. energy: -0.083
local terms energy: -58.536222
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -10.220
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -160.501822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.501822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.567669 (E_RNA)
where:
Base-Base interactions energy: -99.461
where: short stacking energy: -55.492
Base-Backbone interact. energy: -0.019
local terms energy: -61.087524
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -9.982
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -239.682959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.682959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.045658 (E_RNA)
where:
Base-Base interactions energy: -157.682
where: short stacking energy: -82.933
Base-Backbone interact. energy: -0.007
local terms energy: -82.357022
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -22.754
Dist. restrs. and SS energy: 0.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -237.765637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.765637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.994968 (E_RNA)
where:
Base-Base interactions energy: -153.753
where: short stacking energy: -83.841
Base-Backbone interact. energy: 0.393
local terms energy: -84.635864
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -224.887379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.887379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.097034 (E_RNA)
where:
Base-Base interactions energy: -148.800
where: short stacking energy: -84.023
Base-Backbone interact. energy: -0.019
local terms energy: -76.278151
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: -21.036
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: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -206.416656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.416656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.292212 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -64.728
Base-Backbone interact. energy: 0.595
local terms energy: -76.235839
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.876 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -182.651771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.651771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.577599 (E_RNA)
where:
Base-Base interactions energy: -114.907
where: short stacking energy: -51.155
Base-Backbone interact. energy: -0.048
local terms energy: -68.622803
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -8.656
Dist. restrs. and SS energy: 0.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -177.578357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.578357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.638149 (E_RNA)
where:
Base-Base interactions energy: -117.465
where: short stacking energy: -57.203
Base-Backbone interact. energy: -0.512
local terms energy: -59.661104
where:
bonds (distance) C4'-P energy: -7.279
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -11.870
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: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -164.926889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.926889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.193005 (E_RNA)
where:
Base-Base interactions energy: -109.043
where: short stacking energy: -53.794
Base-Backbone interact. energy: -0.149
local terms energy: -56.001178
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -8.850
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: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -160.553451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.553451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.867758 (E_RNA)
where:
Base-Base interactions energy: -90.820
where: short stacking energy: -52.508
Base-Backbone interact. energy: -0.039
local terms energy: -70.008863
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -10.683
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: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -162.074156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.074156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.176949 (E_RNA)
where:
Base-Base interactions energy: -106.095
where: short stacking energy: -65.675
Base-Backbone interact. energy: -0.714
local terms energy: -55.367424
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -7.518
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -12.126
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: 355
Temperature: 1.350000
Total energy: -149.270175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.270175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.835155 (E_RNA)
where:
Base-Base interactions energy: -97.934
where: short stacking energy: -55.111
Base-Backbone interact. energy: 3.003
local terms energy: -54.903899
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -3.465
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -239.826768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.826768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.831015 (E_RNA)
where:
Base-Base interactions energy: -157.445
where: short stacking energy: -84.785
Base-Backbone interact. energy: -0.162
local terms energy: -82.223269
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -13.486
tors. eta vs tors. theta energy: -21.237
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: 356
Temperature: 0.950000
Total energy: -239.377099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.377099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.384548 (E_RNA)
where:
Base-Base interactions energy: -158.272
where: short stacking energy: -86.730
Base-Backbone interact. energy: -0.027
local terms energy: -81.085435
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -21.632
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: 356
Temperature: 1.000000
Total energy: -214.714769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.714769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.759497 (E_RNA)
where:
Base-Base interactions energy: -139.068
where: short stacking energy: -76.074
Base-Backbone interact. energy: -0.107
local terms energy: -75.585182
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -19.426
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: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -215.465963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.465963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.090782 (E_RNA)
where:
Base-Base interactions energy: -132.298
where: short stacking energy: -74.659
Base-Backbone interact. energy: -0.001
local terms energy: -83.791854
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -177.828937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.828937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.842113 (E_RNA)
where:
Base-Base interactions energy: -112.595
where: short stacking energy: -51.065
Base-Backbone interact. energy: -0.131
local terms energy: -65.115988
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -14.107
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: 7
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -178.493069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.493069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.494756 (E_RNA)
where:
Base-Base interactions energy: -106.828
where: short stacking energy: -60.692
Base-Backbone interact. energy: 0.560
local terms energy: -72.226349
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -16.128
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: 356
Temperature: 1.200000
Total energy: -169.396001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.396001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.111460 (E_RNA)
where:
Base-Base interactions energy: -102.638
where: short stacking energy: -58.816
Base-Backbone interact. energy: 0.534
local terms energy: -68.008007
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -166.792632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.792632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.893828 (E_RNA)
where:
Base-Base interactions energy: -99.789
where: short stacking energy: -58.219
Base-Backbone interact. energy: -1.124
local terms energy: -65.980323
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -12.439
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: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -154.924936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.924936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.007149 (E_RNA)
where:
Base-Base interactions energy: -95.586
where: short stacking energy: -49.005
Base-Backbone interact. energy: -0.009
local terms energy: -59.412145
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -10.424
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: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -167.921024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.921024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.128770 (E_RNA)
where:
Base-Base interactions energy: -103.620
where: short stacking energy: -58.721
Base-Backbone interact. energy: -0.015
local terms energy: -64.493630
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -17.563
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: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -247.587709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.587709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.664176 (E_RNA)
where:
Base-Base interactions energy: -159.563
where: short stacking energy: -82.440
Base-Backbone interact. energy: 0.031
local terms energy: -88.132115
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -25.637
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -236.626987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.626987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.655242 (E_RNA)
where:
Base-Base interactions energy: -150.798
where: short stacking energy: -84.887
Base-Backbone interact. energy: -0.403
local terms energy: -85.453832
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -24.092
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: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -219.280126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.280126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.615258 (E_RNA)
where:
Base-Base interactions energy: -140.490
where: short stacking energy: -73.508
Base-Backbone interact. energy: -0.149
local terms energy: -78.977007
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -184.302982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.302982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.314068 (E_RNA)
where:
Base-Base interactions energy: -114.106
where: short stacking energy: -72.749
Base-Backbone interact. energy: -0.012
local terms energy: -70.196020
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -16.552
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: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -204.474046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.474046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.669607 (E_RNA)
where:
Base-Base interactions energy: -128.021
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.092
local terms energy: -77.555989
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -19.658
Dist. restrs. and SS energy: 1.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -200.725364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.725364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.887293 (E_RNA)
where:
Base-Base interactions energy: -131.332
where: short stacking energy: -78.009
Base-Backbone interact. energy: -0.010
local terms energy: -70.545650
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -22.238
Dist. restrs. and SS energy: 1.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -178.094061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.094061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.207834 (E_RNA)
where:
Base-Base interactions energy: -111.715
where: short stacking energy: -62.937
Base-Backbone interact. energy: -0.075
local terms energy: -66.417927
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -181.682961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.682961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.228717 (E_RNA)
where:
Base-Base interactions energy: -111.589
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.026
local terms energy: -70.614247
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.546 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -147.131652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.131652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.062250 (E_RNA)
where:
Base-Base interactions energy: -91.129
where: short stacking energy: -46.673
Base-Backbone interact. energy: -0.391
local terms energy: -56.542867
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.931 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -149.772969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.772969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.044609 (E_RNA)
where:
Base-Base interactions energy: -99.609
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.687
local terms energy: -50.747880
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 1.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -247.511683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.511683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.538488 (E_RNA)
where:
Base-Base interactions energy: -162.157
where: short stacking energy: -90.562
Base-Backbone interact. energy: -0.078
local terms energy: -85.303336
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -25.075
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: 3
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -244.776593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.776593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.818909 (E_RNA)
where:
Base-Base interactions energy: -156.595
where: short stacking energy: -78.812
Base-Backbone interact. energy: -0.003
local terms energy: -88.220516
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -21.996
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: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -239.128954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.128954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.128954 (E_RNA)
where:
Base-Base interactions energy: -160.350
where: short stacking energy: -83.290
Base-Backbone interact. energy: -0.003
local terms energy: -78.775459
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -18.794
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: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -186.076391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.076391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.585555 (E_RNA)
where:
Base-Base interactions energy: -116.491
where: short stacking energy: -63.020
Base-Backbone interact. energy: 1.360
local terms energy: -71.454766
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -192.563021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.563021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.377661 (E_RNA)
where:
Base-Base interactions energy: -119.954
where: short stacking energy: -64.703
Base-Backbone interact. energy: -0.036
local terms energy: -73.387562
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.815 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -177.769505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.769505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.887829 (E_RNA)
where:
Base-Base interactions energy: -110.599
where: short stacking energy: -67.877
Base-Backbone interact. energy: -0.740
local terms energy: -66.549205
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -13.599
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -169.538403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.538403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.542183 (E_RNA)
where:
Base-Base interactions energy: -99.635
where: short stacking energy: -60.243
Base-Backbone interact. energy: -1.009
local terms energy: -68.897440
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -14.783
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: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -160.497390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.497390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.338575 (E_RNA)
where:
Base-Base interactions energy: -101.499
where: short stacking energy: -49.623
Base-Backbone interact. energy: -1.447
local terms energy: -58.392205
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -10.781
Dist. restrs. and SS energy: 0.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -152.279750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.279750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.547051 (E_RNA)
where:
Base-Base interactions energy: -84.892
where: short stacking energy: -32.202
Base-Backbone interact. energy: -0.165
local terms energy: -67.489833
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -5.725
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: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -163.836520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.836520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.129350 (E_RNA)
where:
Base-Base interactions energy: -100.912
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.793
local terms energy: -62.424832
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -12.107
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: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -238.540821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.540821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.545356 (E_RNA)
where:
Base-Base interactions energy: -153.744
where: short stacking energy: -83.156
Base-Backbone interact. energy: -1.037
local terms energy: -83.764512
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -24.348
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: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -234.323570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.323570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.382151 (E_RNA)
where:
Base-Base interactions energy: -153.619
where: short stacking energy: -80.388
Base-Backbone interact. energy: -0.001
local terms energy: -80.761956
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -25.524
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: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -199.380973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.380973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.232700 (E_RNA)
where:
Base-Base interactions energy: -118.429
where: short stacking energy: -70.299
Base-Backbone interact. energy: -0.000
local terms energy: -81.803658
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 0.852 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -184.193178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.193178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.252550 (E_RNA)
where:
Base-Base interactions energy: -115.771
where: short stacking energy: -62.807
Base-Backbone interact. energy: 0.811
local terms energy: -69.292547
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -16.164
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: 359
Temperature: 1.100000
Total energy: -185.540212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.540212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.569291 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -68.670
Base-Backbone interact. energy: -0.270
local terms energy: -71.435219
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -18.845
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: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -179.462508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.462508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.559401 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -68.355
Base-Backbone interact. energy: 0.890
local terms energy: -65.081159
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -12.914
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: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -175.994051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.994051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.283278 (E_RNA)
where:
Base-Base interactions energy: -108.793
where: short stacking energy: -65.752
Base-Backbone interact. energy: -0.226
local terms energy: -67.264536
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -149.679395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.679395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.774650 (E_RNA)
where:
Base-Base interactions energy: -95.474
where: short stacking energy: -48.300
Base-Backbone interact. energy: -2.164
local terms energy: -52.136893
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -175.414111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.414111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.438590 (E_RNA)
where:
Base-Base interactions energy: -115.241
where: short stacking energy: -62.529
Base-Backbone interact. energy: -0.035
local terms energy: -60.163217
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -9.664
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -13.193
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: 359
Temperature: 1.350000
Total energy: -163.481395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.481395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.856415 (E_RNA)
where:
Base-Base interactions energy: -94.042
where: short stacking energy: -53.616
Base-Backbone interact. energy: -0.045
local terms energy: -69.769448
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -9.909
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: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -237.894054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.894054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.903452 (E_RNA)
where:
Base-Base interactions energy: -158.662
where: short stacking energy: -82.393
Base-Backbone interact. energy: -0.005
local terms energy: -79.236611
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -23.465
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: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -230.412483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.412483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.486557 (E_RNA)
where:
Base-Base interactions energy: -151.060
where: short stacking energy: -82.274
Base-Backbone interact. energy: -0.004
local terms energy: -79.421929
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -194.179881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.179881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.504406 (E_RNA)
where:
Base-Base interactions energy: -116.849
where: short stacking energy: -74.517
Base-Backbone interact. energy: -0.116
local terms energy: -77.539063
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -19.048
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: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -188.397996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.397996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.485031 (E_RNA)
where:
Base-Base interactions energy: -131.236
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.283
local terms energy: -57.966070
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -4.702
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 1.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -176.019646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.019646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.019646 (E_RNA)
where:
Base-Base interactions energy: -113.088
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.268
local terms energy: -62.663423
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: -0.000 (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: 360
Temperature: 1.150000
Total energy: -184.963936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.963936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.079670 (E_RNA)
where:
Base-Base interactions energy: -110.048
where: short stacking energy: -65.842
Base-Backbone interact. energy: -0.010
local terms energy: -75.021526
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -19.736
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: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -169.821873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.821873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.934069 (E_RNA)
where:
Base-Base interactions energy: -105.053
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.168
local terms energy: -64.713169
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -12.204
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -194.022098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.022098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.865645 (E_RNA)
where:
Base-Base interactions energy: -126.104
where: short stacking energy: -52.001
Base-Backbone interact. energy: -0.956
local terms energy: -69.806088
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 2.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -142.370306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.370306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.736711 (E_RNA)
where:
Base-Base interactions energy: -86.746
where: short stacking energy: -47.813
Base-Backbone interact. energy: -0.125
local terms energy: -55.865247
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -2.621
tors. eta vs tors. theta energy: -10.252
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: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -157.205452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.205452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.205452 (E_RNA)
where:
Base-Base interactions energy: -96.217
where: short stacking energy: -57.231
Base-Backbone interact. energy: 0.899
local terms energy: -61.886632
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -11.535
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: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -241.079546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.079546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.103687 (E_RNA)
where:
Base-Base interactions energy: -153.543
where: short stacking energy: -85.809
Base-Backbone interact. energy: -0.503
local terms energy: -87.057918
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -24.231
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: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -236.885002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.885002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.913131 (E_RNA)
where:
Base-Base interactions energy: -155.703
where: short stacking energy: -86.601
Base-Backbone interact. energy: -0.005
local terms energy: -81.204908
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -20.757
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: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -192.456765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.456765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.468635 (E_RNA)
where:
Base-Base interactions energy: -117.805
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.102
local terms energy: -74.561343
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -14.578
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: 361
Temperature: 1.050000
Total energy: -211.959550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.959550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.013509 (E_RNA)
where:
Base-Base interactions energy: -136.694
where: short stacking energy: -80.553
Base-Backbone interact. energy: 1.786
local terms energy: -77.105383
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -22.620
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: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -196.259597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.259597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.845533 (E_RNA)
where:
Base-Base interactions energy: -127.691
where: short stacking energy: -61.111
Base-Backbone interact. energy: -0.124
local terms energy: -69.030219
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -173.732821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.732821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.977574 (E_RNA)
where:
Base-Base interactions energy: -113.135
where: short stacking energy: -58.005
Base-Backbone interact. energy: -0.443
local terms energy: -60.399053
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -7.628
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -13.181
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: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -176.030312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.030312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.116816 (E_RNA)
where:
Base-Base interactions energy: -112.121
where: short stacking energy: -57.041
Base-Backbone interact. energy: -0.000
local terms energy: -63.995181
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -10.621
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: 4
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -155.838097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.838097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.167429 (E_RNA)
where:
Base-Base interactions energy: -87.363
where: short stacking energy: -53.748
Base-Backbone interact. energy: -0.175
local terms energy: -68.629697
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -11.760
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: 2
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -161.974522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.974522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.974522 (E_RNA)
where:
Base-Base interactions energy: -105.466
where: short stacking energy: -55.142
Base-Backbone interact. energy: -1.260
local terms energy: -55.248775
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -4.795
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: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -159.688554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.688554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.171313 (E_RNA)
where:
Base-Base interactions energy: -98.583
where: short stacking energy: -46.020
Base-Backbone interact. energy: -0.239
local terms energy: -61.349229
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -237.636067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.636067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.689816 (E_RNA)
where:
Base-Base interactions energy: -157.154
where: short stacking energy: -88.904
Base-Backbone interact. energy: -0.131
local terms energy: -80.404930
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -19.624
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -22.699
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: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -239.230737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.230737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.480440 (E_RNA)
where:
Base-Base interactions energy: -148.720
where: short stacking energy: -83.490
Base-Backbone interact. energy: -0.245
local terms energy: -91.515773
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -18.920
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -25.232
Dist. restrs. and SS energy: 1.250 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -206.742577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.742577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.744353 (E_RNA)
where:
Base-Base interactions energy: -124.037
where: short stacking energy: -74.581
Base-Backbone interact. energy: -0.014
local terms energy: -82.693308
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -16.827
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: 362
Temperature: 1.050000
Total energy: -191.447497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.447497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.514302 (E_RNA)
where:
Base-Base interactions energy: -116.178
where: short stacking energy: -66.898
Base-Backbone interact. energy: 0.402
local terms energy: -75.737397
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -17.159
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: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -173.707651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.707651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.032796 (E_RNA)
where:
Base-Base interactions energy: -113.040
where: short stacking energy: -57.095
Base-Backbone interact. energy: 0.435
local terms energy: -61.427820
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -9.260
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -198.607336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.607336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.764119 (E_RNA)
where:
Base-Base interactions energy: -138.847
where: short stacking energy: -54.619
Base-Backbone interact. energy: -0.103
local terms energy: -60.814441
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -13.728
Dist. restrs. and SS energy: 1.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -180.328825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.328825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.460788 (E_RNA)
where:
Base-Base interactions energy: -106.939
where: short stacking energy: -57.569
Base-Backbone interact. energy: -0.024
local terms energy: -73.498170
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -14.356
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: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -168.610656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.610656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.053183 (E_RNA)
where:
Base-Base interactions energy: -105.882
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.354
local terms energy: -62.816871
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -11.106
Dist. restrs. and SS energy: 0.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -152.957002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.957002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.346273 (E_RNA)
where:
Base-Base interactions energy: -96.751
where: short stacking energy: -51.500
Base-Backbone interact. energy: 0.244
local terms energy: -56.839379
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -9.530
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -144.473218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.473218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.574996 (E_RNA)
where:
Base-Base interactions energy: -88.538
where: short stacking energy: -44.994
Base-Backbone interact. energy: -0.941
local terms energy: -55.096583
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -8.520
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -7.996
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: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -237.678749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.678749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.737056 (E_RNA)
where:
Base-Base interactions energy: -154.873
where: short stacking energy: -84.311
Base-Backbone interact. energy: -0.018
local terms energy: -82.845369
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -20.436
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: 363
Temperature: 0.950000
Total energy: -233.102510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.102510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.676440 (E_RNA)
where:
Base-Base interactions energy: -158.860
where: short stacking energy: -87.899
Base-Backbone interact. energy: -0.007
local terms energy: -74.809768
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -227.016895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.016895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.060063 (E_RNA)
where:
Base-Base interactions energy: -147.295
where: short stacking energy: -75.834
Base-Backbone interact. energy: 1.096
local terms energy: -80.861226
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -24.505
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: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -199.786079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.786079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.799508 (E_RNA)
where:
Base-Base interactions energy: -128.680
where: short stacking energy: -73.180
Base-Backbone interact. energy: 0.454
local terms energy: -71.573559
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -14.360
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: 363
Temperature: 1.100000
Total energy: -175.643498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.643498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.669483 (E_RNA)
where:
Base-Base interactions energy: -105.287
where: short stacking energy: -65.144
Base-Backbone interact. energy: 0.418
local terms energy: -70.800922
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -12.443
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: 363
Temperature: 1.150000
Total energy: -183.642034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.642034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.642034 (E_RNA)
where:
Base-Base interactions energy: -116.814
where: short stacking energy: -68.605
Base-Backbone interact. energy: -0.102
local terms energy: -66.726352
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -17.536
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: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -170.421203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.421203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.539311 (E_RNA)
where:
Base-Base interactions energy: -104.257
where: short stacking energy: -47.045
Base-Backbone interact. energy: -0.131
local terms energy: -66.151464
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -9.258
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: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -171.124106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.124106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.314475 (E_RNA)
where:
Base-Base interactions energy: -107.392
where: short stacking energy: -57.884
Base-Backbone interact. energy: -0.146
local terms energy: -63.775829
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -10.954
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: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -175.074775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.074775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.364914 (E_RNA)
where:
Base-Base interactions energy: -114.842
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.600
local terms energy: -59.922367
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.290 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -154.434388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.434388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.506791 (E_RNA)
where:
Base-Base interactions energy: -95.661
where: short stacking energy: -57.759
Base-Backbone interact. energy: 0.426
local terms energy: -59.271895
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -237.122244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.122244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.644614 (E_RNA)
where:
Base-Base interactions energy: -156.471
where: short stacking energy: -80.820
Base-Backbone interact. energy: 1.030
local terms energy: -83.203881
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 1.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -243.212124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.212124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.212124 (E_RNA)
where:
Base-Base interactions energy: -155.462
where: short stacking energy: -79.054
Base-Backbone interact. energy: -0.593
local terms energy: -87.157675
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (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: 364
Temperature: 1.000000
Total energy: -223.184620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.184620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.899660 (E_RNA)
where:
Base-Base interactions energy: -141.364
where: short stacking energy: -78.983
Base-Backbone interact. energy: -0.001
local terms energy: -82.535235
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -22.533
Dist. restrs. and SS energy: 0.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -198.856104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.856104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.856104 (E_RNA)
where:
Base-Base interactions energy: -122.132
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.026
local terms energy: -76.697796
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: -0.000 (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: 364
Temperature: 1.100000
Total energy: -179.177641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.177641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.376406 (E_RNA)
where:
Base-Base interactions energy: -112.663
where: short stacking energy: -73.952
Base-Backbone interact. energy: -0.295
local terms energy: -66.418589
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -171.368599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.368599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.368599 (E_RNA)
where:
Base-Base interactions energy: -97.392
where: short stacking energy: -53.019
Base-Backbone interact. energy: -0.235
local terms energy: -73.741879
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -13.320
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: 4
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -171.497589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.497589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.674064 (E_RNA)
where:
Base-Base interactions energy: -108.952
where: short stacking energy: -67.520
Base-Backbone interact. energy: -0.012
local terms energy: -62.710155
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -13.989
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: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -162.568365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.568365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.675849 (E_RNA)
where:
Base-Base interactions energy: -106.686
where: short stacking energy: -43.717
Base-Backbone interact. energy: -0.149
local terms energy: -55.840710
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -8.598
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: 2
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -156.706770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.706770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.935122 (E_RNA)
where:
Base-Base interactions energy: -95.753
where: short stacking energy: -55.058
Base-Backbone interact. energy: 0.624
local terms energy: -61.805642
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -13.810
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: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -158.399149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.399149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.442453 (E_RNA)
where:
Base-Base interactions energy: -96.692
where: short stacking energy: -44.036
Base-Backbone interact. energy: -0.250
local terms energy: -61.500620
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -11.844
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: 10
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -234.730094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.730094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.565164 (E_RNA)
where:
Base-Base interactions energy: -161.813
where: short stacking energy: -82.023
Base-Backbone interact. energy: -0.000
local terms energy: -74.751970
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -21.632
Dist. restrs. and SS energy: 1.835 (S_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: 365
Temperature: 0.950000
Total energy: -213.396332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.396332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.458730 (E_RNA)
where:
Base-Base interactions energy: -133.798
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.843
local terms energy: -78.817131
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -18.748
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: 365
Temperature: 1.000000
Total energy: -234.823348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.823348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.849449 (E_RNA)
where:
Base-Base interactions energy: -148.684
where: short stacking energy: -83.662
Base-Backbone interact. energy: -0.021
local terms energy: -86.144335
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -21.985
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: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -225.397951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.397951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.477940 (E_RNA)
where:
Base-Base interactions energy: -146.265
where: short stacking energy: -81.681
Base-Backbone interact. energy: -1.422
local terms energy: -77.790820
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -22.869
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: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -176.240550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.240550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.314132 (E_RNA)
where:
Base-Base interactions energy: -105.515
where: short stacking energy: -64.102
Base-Backbone interact. energy: -0.002
local terms energy: -70.796543
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -13.139
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: 8
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -184.012510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.012510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.488967 (E_RNA)
where:
Base-Base interactions energy: -114.123
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.114
local terms energy: -70.252536
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -175.895892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.895892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.895892 (E_RNA)
where:
Base-Base interactions energy: -106.746
where: short stacking energy: -63.280
Base-Backbone interact. energy: -0.068
local terms energy: -69.081662
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: -0.000 (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: 365
Temperature: 1.250000
Total energy: -168.962648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.962648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.962648 (E_RNA)
where:
Base-Base interactions energy: -96.057
where: short stacking energy: -53.600
Base-Backbone interact. energy: 0.245
local terms energy: -73.150223
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (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: 365
Temperature: 1.300000
Total energy: -161.967587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.967587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.007067 (E_RNA)
where:
Base-Base interactions energy: -98.743
where: short stacking energy: -59.522
Base-Backbone interact. energy: -0.141
local terms energy: -63.122463
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -12.492
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: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -157.001269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.001269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.052373 (E_RNA)
where:
Base-Base interactions energy: -95.164
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.626
local terms energy: -61.262392
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -10.328
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: 366
Temperature: 0.900000
Total energy: -232.412639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.412639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.758644 (E_RNA)
where:
Base-Base interactions energy: -144.050
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.164
local terms energy: -89.543822
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -23.910
Dist. restrs. and SS energy: 1.346 (S_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: 366
Temperature: 0.950000
Total energy: -229.591359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.591359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.591359 (E_RNA)
where:
Base-Base interactions energy: -144.808
where: short stacking energy: -77.030
Base-Backbone interact. energy: -0.001
local terms energy: -84.782940
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (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: 366
Temperature: 1.000000
Total energy: -225.844527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.844527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.890881 (E_RNA)
where:
Base-Base interactions energy: -138.541
where: short stacking energy: -75.401
Base-Backbone interact. energy: -0.400
local terms energy: -86.949664
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -21.743
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: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -230.661399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.661399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.701574 (E_RNA)
where:
Base-Base interactions energy: -148.896
where: short stacking energy: -77.831
Base-Backbone interact. energy: -0.613
local terms energy: -81.191991
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -22.194
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: 366
Temperature: 1.100000
Total energy: -168.893885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.893885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.949931 (E_RNA)
where:
Base-Base interactions energy: -99.222
where: short stacking energy: -54.017
Base-Backbone interact. energy: -0.207
local terms energy: -69.521466
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -13.011
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: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -170.148635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.148635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.274006 (E_RNA)
where:
Base-Base interactions energy: -102.998
where: short stacking energy: -62.913
Base-Backbone interact. energy: -0.114
local terms energy: -67.162173
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -12.698
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -183.335197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.335197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.663125 (E_RNA)
where:
Base-Base interactions energy: -117.110
where: short stacking energy: -75.482
Base-Backbone interact. energy: 0.421
local terms energy: -66.973738
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -20.013
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: 8, replica: 2
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -153.106511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.106511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.157850 (E_RNA)
where:
Base-Base interactions energy: -92.596
where: short stacking energy: -52.284
Base-Backbone interact. energy: -0.102
local terms energy: -60.460231
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -9.985
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: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -155.776545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.776545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.537254 (E_RNA)
where:
Base-Base interactions energy: -91.037
where: short stacking energy: -44.925
Base-Backbone interact. energy: -1.417
local terms energy: -66.083040
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 2.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -163.430131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.430131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.430131 (E_RNA)
where:
Base-Base interactions energy: -101.812
where: short stacking energy: -61.814
Base-Backbone interact. energy: 1.577
local terms energy: -63.194362
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -14.719
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: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -238.674172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.674172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.710750 (E_RNA)
where:
Base-Base interactions energy: -155.251
where: short stacking energy: -82.470
Base-Backbone interact. energy: -0.786
local terms energy: -82.673229
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -23.332
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: 367
Temperature: 0.950000
Total energy: -233.208840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.208840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.865815 (E_RNA)
where:
Base-Base interactions energy: -156.965
where: short stacking energy: -84.900
Base-Backbone interact. energy: -0.061
local terms energy: -76.840095
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -21.902
Dist. restrs. and SS energy: 0.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -231.766515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.766515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.180691 (E_RNA)
where:
Base-Base interactions energy: -146.613
where: short stacking energy: -75.175
Base-Backbone interact. energy: -0.587
local terms energy: -84.980790
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -23.689
Dist. restrs. and SS energy: 0.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -183.560956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.560956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.560956 (E_RNA)
where:
Base-Base interactions energy: -115.912
where: short stacking energy: -65.654
Base-Backbone interact. energy: -0.502
local terms energy: -67.147767
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (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: 367
Temperature: 1.100000
Total energy: -208.708597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.708597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.844424 (E_RNA)
where:
Base-Base interactions energy: -138.949
where: short stacking energy: -78.393
Base-Backbone interact. energy: 3.500
local terms energy: -73.395543
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -19.863
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -179.220067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.220067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.897727 (E_RNA)
where:
Base-Base interactions energy: -112.982
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.109
local terms energy: -66.806799
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -165.649425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.649425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.775846 (E_RNA)
where:
Base-Base interactions energy: -99.968
where: short stacking energy: -53.369
Base-Backbone interact. energy: -0.063
local terms energy: -65.744782
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -162.484055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.484055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.579162 (E_RNA)
where:
Base-Base interactions energy: -100.227
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.082
local terms energy: -62.269943
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -11.410
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: 2
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -143.913846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.913846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.355441 (E_RNA)
where:
Base-Base interactions energy: -83.575
where: short stacking energy: -44.367
Base-Backbone interact. energy: 0.355
local terms energy: -61.135114
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -7.952
Dist. restrs. and SS energy: 0.442 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -145.028037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.028037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.704418 (E_RNA)
where:
Base-Base interactions energy: -87.670
where: short stacking energy: -44.099
Base-Backbone interact. energy: -0.026
local terms energy: -59.008663
where:
bonds (distance) C4'-P energy: -11.617
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -5.646
Dist. restrs. and SS energy: 1.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -239.530882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.530882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.540838 (E_RNA)
where:
Base-Base interactions energy: -153.734
where: short stacking energy: -85.077
Base-Backbone interact. energy: -0.003
local terms energy: -85.803465
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -22.412
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: 368
Temperature: 0.950000
Total energy: -231.289938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.289938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.472594 (E_RNA)
where:
Base-Base interactions energy: -150.691
where: short stacking energy: -84.307
Base-Backbone interact. energy: 0.721
local terms energy: -81.502297
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -193.914244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.914244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.920137 (E_RNA)
where:
Base-Base interactions energy: -115.545
where: short stacking energy: -70.945
Base-Backbone interact. energy: -1.167
local terms energy: -77.208685
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -16.562
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: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -189.551101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.551101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.360228 (E_RNA)
where:
Base-Base interactions energy: -123.866
where: short stacking energy: -68.597
Base-Backbone interact. energy: -0.092
local terms energy: -67.402600
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -18.204
Dist. restrs. and SS energy: 1.809 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -187.814981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.814981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.841756 (E_RNA)
where:
Base-Base interactions energy: -108.651
where: short stacking energy: -66.008
Base-Backbone interact. energy: -0.839
local terms energy: -78.352586
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -16.462
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: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -200.607690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.607690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.878286 (E_RNA)
where:
Base-Base interactions energy: -129.869
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.004
local terms energy: -71.005365
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -20.837
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -168.437724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.437724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.532350 (E_RNA)
where:
Base-Base interactions energy: -99.220
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.053
local terms energy: -69.259636
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -17.714
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -12.756
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: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -178.933593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.933593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.068866 (E_RNA)
where:
Base-Base interactions energy: -113.188
where: short stacking energy: -63.909
Base-Backbone interact. energy: -1.655
local terms energy: -64.225860
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -159.484517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.484517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.573205 (E_RNA)
where:
Base-Base interactions energy: -101.047
where: short stacking energy: -60.298
Base-Backbone interact. energy: -0.188
local terms energy: -58.338605
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -10.229
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: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -141.856199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.856199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.310360 (E_RNA)
where:
Base-Base interactions energy: -91.043
where: short stacking energy: -47.995
Base-Backbone interact. energy: 0.681
local terms energy: -51.949104
where:
bonds (distance) C4'-P energy: -7.298
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -238.917307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.917307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.674935 (E_RNA)
where:
Base-Base interactions energy: -160.013
where: short stacking energy: -87.094
Base-Backbone interact. energy: -0.004
local terms energy: -79.658390
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.758 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -235.983911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.983911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.423805 (E_RNA)
where:
Base-Base interactions energy: -154.618
where: short stacking energy: -83.644
Base-Backbone interact. energy: -0.045
local terms energy: -82.760927
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -20.064
Dist. restrs. and SS energy: 1.440 (S_DIST_RNA)
chem. 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: -182.984123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.984123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.990406 (E_RNA)
where:
Base-Base interactions energy: -110.316
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.099
local terms energy: -72.576263
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -13.530
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: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -195.161267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.161267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.161267 (E_RNA)
where:
Base-Base interactions energy: -119.913
where: short stacking energy: -73.017
Base-Backbone interact. energy: -1.374
local terms energy: -73.873557
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -16.690
Dist. restrs. and SS energy: -0.000 (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: 369
Temperature: 1.100000
Total energy: -202.360851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.360851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.702873 (E_RNA)
where:
Base-Base interactions energy: -129.798
where: short stacking energy: -67.108
Base-Backbone interact. energy: -0.037
local terms energy: -74.867534
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 2.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -192.232772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.232772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.245644 (E_RNA)
where:
Base-Base interactions energy: -118.579
where: short stacking energy: -71.672
Base-Backbone interact. energy: -0.359
local terms energy: -73.307358
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -18.692
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: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -166.624031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.624031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.374963 (E_RNA)
where:
Base-Base interactions energy: -106.383
where: short stacking energy: -60.987
Base-Backbone interact. energy: -0.022
local terms energy: -60.969932
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -168.244830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.244830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.285973 (E_RNA)
where:
Base-Base interactions energy: -107.529
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.893
local terms energy: -59.863924
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -15.255
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: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -155.248998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.248998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.248998 (E_RNA)
where:
Base-Base interactions energy: -104.413
where: short stacking energy: -49.641
Base-Backbone interact. energy: -0.666
local terms energy: -50.169741
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: -0.000 (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: 369
Temperature: 1.350000
Total energy: -150.138856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.138856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.538585 (E_RNA)
where:
Base-Base interactions energy: -89.797
where: short stacking energy: -41.449
Base-Backbone interact. energy: -0.342
local terms energy: -60.399153
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -239.571409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.571409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.056755 (E_RNA)
where:
Base-Base interactions energy: -158.029
where: short stacking energy: -81.597
Base-Backbone interact. energy: -0.102
local terms energy: -81.925943
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -231.103601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.103601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.053160 (E_RNA)
where:
Base-Base interactions energy: -147.104
where: short stacking energy: -79.826
Base-Backbone interact. energy: -0.019
local terms energy: -84.929723
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -23.084
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -179.252781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.252781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.583339 (E_RNA)
where:
Base-Base interactions energy: -111.786
where: short stacking energy: -69.007
Base-Backbone interact. energy: -0.190
local terms energy: -67.607526
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.331 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -187.477427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.477427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.485309 (E_RNA)
where:
Base-Base interactions energy: -116.928
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.103
local terms energy: -70.454224
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -15.173
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: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -198.126392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.126392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.139442 (E_RNA)
where:
Base-Base interactions energy: -124.276
where: short stacking energy: -69.777
Base-Backbone interact. energy: -0.400
local terms energy: -73.464208
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -171.985088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.985088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.066101 (E_RNA)
where:
Base-Base interactions energy: -101.692
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.017
local terms energy: -70.357314
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -12.432
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: 370
Temperature: 1.200000
Total energy: -156.755142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.755142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.500631 (E_RNA)
where:
Base-Base interactions energy: -100.898
where: short stacking energy: -48.358
Base-Backbone interact. energy: -0.890
local terms energy: -55.712783
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -11.276
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -6.512
Dist. restrs. and SS energy: 0.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -175.135354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.135354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.198449 (E_RNA)
where:
Base-Base interactions energy: -104.838
where: short stacking energy: -74.188
Base-Backbone interact. energy: -0.076
local terms energy: -70.284711
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -20.615
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: 2
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -142.031151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.031151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.040272 (E_RNA)
where:
Base-Base interactions energy: -79.616
where: short stacking energy: -35.248
Base-Backbone interact. energy: -0.499
local terms energy: -61.925074
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -7.762
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: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -146.247014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.247014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.639991 (E_RNA)
where:
Base-Base interactions energy: -84.536
where: short stacking energy: -52.370
Base-Backbone interact. energy: 0.822
local terms energy: -62.925875
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -7.353
Dist. restrs. and SS energy: 0.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -234.134219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.134219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.659413 (E_RNA)
where:
Base-Base interactions energy: -150.118
where: short stacking energy: -80.582
Base-Backbone interact. energy: -0.000
local terms energy: -84.541698
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -20.152
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -224.866917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.866917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.033987 (E_RNA)
where:
Base-Base interactions energy: -150.108
where: short stacking energy: -72.377
Base-Backbone interact. energy: -0.095
local terms energy: -75.830241
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -18.389
Dist. restrs. and SS energy: 1.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -194.411637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.772563 (E_RNA)
where:
Base-Base interactions energy: -120.393
where: short stacking energy: -67.464
Base-Backbone interact. energy: -0.428
local terms energy: -73.951438
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -16.783
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: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -187.515160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.515160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.515160 (E_RNA)
where:
Base-Base interactions energy: -122.259
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.003
local terms energy: -65.253877
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -190.143665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.143665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.662129 (E_RNA)
where:
Base-Base interactions energy: -113.994
where: short stacking energy: -71.136
Base-Backbone interact. energy: -0.360
local terms energy: -76.307671
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -16.297
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: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -169.280967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.280967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.577827 (E_RNA)
where:
Base-Base interactions energy: -105.080
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.001
local terms energy: -64.496770
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -13.697
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: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -162.647715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.647715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.752368 (E_RNA)
where:
Base-Base interactions energy: -97.679
where: short stacking energy: -45.116
Base-Backbone interact. energy: 0.118
local terms energy: -65.190527
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -12.256
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: 8, replica: 2
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -160.051508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.051508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.176385 (E_RNA)
where:
Base-Base interactions energy: -94.251
where: short stacking energy: -52.708
Base-Backbone interact. energy: 0.805
local terms energy: -66.730373
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -12.002
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: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -161.233827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.233827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.241263 (E_RNA)
where:
Base-Base interactions energy: -105.199
where: short stacking energy: -60.034
Base-Backbone interact. energy: -0.290
local terms energy: -55.752779
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -11.140
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -11.735
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: 371
Temperature: 1.350000
Total energy: -131.215672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.215672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.480279 (E_RNA)
where:
Base-Base interactions energy: -75.931
where: short stacking energy: -32.914
Base-Backbone interact. energy: -1.047
local terms energy: -56.502331
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 2.265 (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: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -234.095149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.095149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.557817 (E_RNA)
where:
Base-Base interactions energy: -156.095
where: short stacking energy: -84.844
Base-Backbone interact. energy: -0.043
local terms energy: -79.419953
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 1.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -235.199810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.199810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.222889 (E_RNA)
where:
Base-Base interactions energy: -157.753
where: short stacking energy: -85.221
Base-Backbone interact. energy: -0.002
local terms energy: -77.468207
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -21.791
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: 372
Temperature: 1.000000
Total energy: -202.254871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.254871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.383750 (E_RNA)
where:
Base-Base interactions energy: -127.443
where: short stacking energy: -72.327
Base-Backbone interact. energy: -0.149
local terms energy: -74.792424
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -196.170458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.170458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.289641 (E_RNA)
where:
Base-Base interactions energy: -122.011
where: short stacking energy: -77.831
Base-Backbone interact. energy: -0.218
local terms energy: -74.060835
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -16.338
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: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -165.909112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.909112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.942702 (E_RNA)
where:
Base-Base interactions energy: -108.925
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.062
local terms energy: -56.955276
where:
bonds (distance) C4'-P energy: -8.815
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -9.447
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: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -174.193020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.193020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.197766 (E_RNA)
where:
Base-Base interactions energy: -104.123
where: short stacking energy: -64.047
Base-Backbone interact. energy: -0.027
local terms energy: -70.047862
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -13.558
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: 372
Temperature: 1.200000
Total energy: -161.400690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.400690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.571452 (E_RNA)
where:
Base-Base interactions energy: -96.201
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.191
local terms energy: -65.179423
where:
bonds (distance) C4'-P energy: -17.148
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -6.550
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -159.429688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.429688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.506215 (E_RNA)
where:
Base-Base interactions energy: -100.881
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.100
local terms energy: -58.524769
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -15.997
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: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -169.145832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.145832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.957064 (E_RNA)
where:
Base-Base interactions energy: -104.003
where: short stacking energy: -54.151
Base-Backbone interact. energy: -0.051
local terms energy: -66.902695
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 1.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -165.332441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.332441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.839942 (E_RNA)
where:
Base-Base interactions energy: -101.072
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.071
local terms energy: -64.697521
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -238.100322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.100322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.108226 (E_RNA)
where:
Base-Base interactions energy: -158.626
where: short stacking energy: -84.690
Base-Backbone interact. energy: -0.121
local terms energy: -81.361392
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 2.008 (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: 373
Temperature: 0.950000
Total energy: -213.020872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.020872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.324342 (E_RNA)
where:
Base-Base interactions energy: -139.240
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.030
local terms energy: -74.054449
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -15.894
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: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -195.772328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.772328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.036803 (E_RNA)
where:
Base-Base interactions energy: -131.374
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.735
local terms energy: -63.927515
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -11.953
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -18.673
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: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -178.337039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.337039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.014847 (E_RNA)
where:
Base-Base interactions energy: -110.395
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.006
local terms energy: -68.613858
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -195.130581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.130581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.130581 (E_RNA)
where:
Base-Base interactions energy: -120.498
where: short stacking energy: -74.305
Base-Backbone interact. energy: -0.018
local terms energy: -74.614847
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -21.731
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: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -171.950193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.950193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.010910 (E_RNA)
where:
Base-Base interactions energy: -106.508
where: short stacking energy: -66.167
Base-Backbone interact. energy: -0.122
local terms energy: -65.381024
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -12.245
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: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -155.731337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.731337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.403738 (E_RNA)
where:
Base-Base interactions energy: -92.267
where: short stacking energy: -52.371
Base-Backbone interact. energy: -0.917
local terms energy: -63.219075
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -9.073
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -8.343
Dist. restrs. and SS energy: 0.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -186.548644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.548644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.759242 (E_RNA)
where:
Base-Base interactions energy: -111.586
where: short stacking energy: -60.719
Base-Backbone interact. energy: -0.004
local terms energy: -76.168917
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 1.211 (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: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -162.804706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.804706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.830413 (E_RNA)
where:
Base-Base interactions energy: -99.480
where: short stacking energy: -58.054
Base-Backbone interact. energy: -0.134
local terms energy: -63.216541
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -10.325
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: 373
Temperature: 1.350000
Total energy: -148.584421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.584421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.849655 (E_RNA)
where:
Base-Base interactions energy: -95.677
where: short stacking energy: -47.713
Base-Backbone interact. energy: 0.783
local terms energy: -53.955431
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -9.862
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: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -243.489907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.489907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.372093 (E_RNA)
where:
Base-Base interactions energy: -161.203
where: short stacking energy: -85.340
Base-Backbone interact. energy: -0.216
local terms energy: -83.952867
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -22.299
Dist. restrs. and SS energy: 1.882 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -212.009281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.009281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.380012 (E_RNA)
where:
Base-Base interactions energy: -134.334
where: short stacking energy: -71.915
Base-Backbone interact. energy: -0.437
local terms energy: -78.608518
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 1.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -195.076434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.076434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.415397 (E_RNA)
where:
Base-Base interactions energy: -119.694
where: short stacking energy: -79.139
Base-Backbone interact. energy: -0.247
local terms energy: -75.474061
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.339 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -189.762678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.762678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.762678 (E_RNA)
where:
Base-Base interactions energy: -119.627
where: short stacking energy: -58.452
Base-Backbone interact. energy: -0.610
local terms energy: -69.525911
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -16.777
Dist. restrs. and SS energy: -0.000 (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: 374
Temperature: 1.100000
Total energy: -193.125228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.125228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.945563 (E_RNA)
where:
Base-Base interactions energy: -128.119
where: short stacking energy: -55.132
Base-Backbone interact. energy: 1.613
local terms energy: -67.439434
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -13.342
Dist. restrs. and SS energy: 0.820 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -180.582980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.582980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.605441 (E_RNA)
where:
Base-Base interactions energy: -107.467
where: short stacking energy: -54.111
Base-Backbone interact. energy: -0.311
local terms energy: -72.827939
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -12.097
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: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -171.181831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.181831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.424778 (E_RNA)
where:
Base-Base interactions energy: -101.228
where: short stacking energy: -61.354
Base-Backbone interact. energy: -0.065
local terms energy: -70.132058
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -154.445845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.445845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.482290 (E_RNA)
where:
Base-Base interactions energy: -89.256
where: short stacking energy: -51.265
Base-Backbone interact. energy: -0.824
local terms energy: -64.401952
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -10.603
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: 374
Temperature: 1.300000
Total energy: -148.580825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.580825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.719379 (E_RNA)
where:
Base-Base interactions energy: -93.567
where: short stacking energy: -55.055
Base-Backbone interact. energy: -0.791
local terms energy: -54.361728
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -8.461
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: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -156.096638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.096638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.444455 (E_RNA)
where:
Base-Base interactions energy: -95.012
where: short stacking energy: -47.358
Base-Backbone interact. energy: -0.569
local terms energy: -60.864121
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -10.031
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: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -238.275886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.275886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.202089 (E_RNA)
where:
Base-Base interactions energy: -154.737
where: short stacking energy: -77.524
Base-Backbone interact. energy: 0.569
local terms energy: -85.033658
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -243.104243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.104243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.879425 (E_RNA)
where:
Base-Base interactions energy: -159.509
where: short stacking energy: -85.121
Base-Backbone interact. energy: -0.171
local terms energy: -85.199008
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -18.505
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 1.775 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -195.147692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.147692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.058445 (E_RNA)
where:
Base-Base interactions energy: -124.290
where: short stacking energy: -69.533
Base-Backbone interact. energy: 0.080
local terms energy: -71.848524
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -192.948859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.948859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.255710 (E_RNA)
where:
Base-Base interactions energy: -130.115
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.635
local terms energy: -62.505587
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -178.190295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.190295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.319634 (E_RNA)
where:
Base-Base interactions energy: -109.220
where: short stacking energy: -60.678
Base-Backbone interact. energy: 0.047
local terms energy: -69.147100
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -14.512
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: 1
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -170.734269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.734269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.766141 (E_RNA)
where:
Base-Base interactions energy: -104.315
where: short stacking energy: -56.488
Base-Backbone interact. energy: -0.178
local terms energy: -66.272939
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -10.102
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: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -166.232149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.232149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.272187 (E_RNA)
where:
Base-Base interactions energy: -104.402
where: short stacking energy: -62.531
Base-Backbone interact. energy: 0.467
local terms energy: -62.337702
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -10.821
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: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -157.863614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.863614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.918914 (E_RNA)
where:
Base-Base interactions energy: -98.608
where: short stacking energy: -57.964
Base-Backbone interact. energy: -1.589
local terms energy: -57.722359
where:
bonds (distance) C4'-P energy: -6.583
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -13.051
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: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -155.888568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.888568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.888568 (E_RNA)
where:
Base-Base interactions energy: -94.012
where: short stacking energy: -54.296
Base-Backbone interact. energy: -0.189
local terms energy: -61.687637
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -10.015
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: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -149.327174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.327174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.378401 (E_RNA)
where:
Base-Base interactions energy: -95.599
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.062
local terms energy: -53.717430
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -9.652
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: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -238.659998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.659998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.642150 (E_RNA)
where:
Base-Base interactions energy: -152.358
where: short stacking energy: -85.519
Base-Backbone interact. energy: -0.010
local terms energy: -87.274045
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -26.169
Dist. restrs. and SS energy: 0.982 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -233.186700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.186700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.074426 (E_RNA)
where:
Base-Base interactions energy: -152.435
where: short stacking energy: -79.154
Base-Backbone interact. energy: -0.000
local terms energy: -81.639788
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -202.724708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.724708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.098887 (E_RNA)
where:
Base-Base interactions energy: -127.864
where: short stacking energy: -63.032
Base-Backbone interact. energy: -0.261
local terms energy: -75.973426
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 1.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -185.548428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.548428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.875665 (E_RNA)
where:
Base-Base interactions energy: -117.092
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.022
local terms energy: -69.761210
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 1.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -176.758325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.758325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.878556 (E_RNA)
where:
Base-Base interactions energy: -105.708
where: short stacking energy: -65.733
Base-Backbone interact. energy: -0.127
local terms energy: -71.043629
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -10.053
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: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -184.254789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.254789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.355487 (E_RNA)
where:
Base-Base interactions energy: -118.978
where: short stacking energy: -60.254
Base-Backbone interact. energy: -0.071
local terms energy: -65.305924
where:
bonds (distance) C4'-P energy: -10.045
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -174.490828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.490828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.490828 (E_RNA)
where:
Base-Base interactions energy: -116.307
where: short stacking energy: -63.314
Base-Backbone interact. energy: -0.572
local terms energy: -57.611889
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -8.371
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -12.082
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: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -170.078999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.078999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.829677 (E_RNA)
where:
Base-Base interactions energy: -108.488
where: short stacking energy: -47.965
Base-Backbone interact. energy: -0.533
local terms energy: -61.809138
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -11.642
Dist. restrs. and SS energy: 0.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -156.863838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.863838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.995566 (E_RNA)
where:
Base-Base interactions energy: -96.187
where: short stacking energy: -58.370
Base-Backbone interact. energy: -0.071
local terms energy: -60.737858
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -162.993655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.993655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.274154 (E_RNA)
where:
Base-Base interactions energy: -98.844
where: short stacking energy: -62.917
Base-Backbone interact. energy: 0.304
local terms energy: -64.735011
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -8.345
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -232.406486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.406486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.418179 (E_RNA)
where:
Base-Base interactions energy: -149.960
where: short stacking energy: -80.299
Base-Backbone interact. energy: -0.034
local terms energy: -82.424444
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -22.429
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: 377
Temperature: 0.950000
Total energy: -233.314293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.314293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.706242 (E_RNA)
where:
Base-Base interactions energy: -159.434
where: short stacking energy: -77.183
Base-Backbone interact. energy: -0.002
local terms energy: -74.270061
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.392 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -213.722497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.722497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.815367 (E_RNA)
where:
Base-Base interactions energy: -132.806
where: short stacking energy: -69.259
Base-Backbone interact. energy: -0.003
local terms energy: -81.006476
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -21.925
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: 377
Temperature: 1.050000
Total energy: -183.867633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.867633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.909616 (E_RNA)
where:
Base-Base interactions energy: -110.227
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.112
local terms energy: -73.570527
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -10.554
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: 377
Temperature: 1.100000
Total energy: -202.734649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.734649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.754920 (E_RNA)
where:
Base-Base interactions energy: -130.819
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.001
local terms energy: -71.935391
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -20.556
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: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -182.224821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.224821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.809517 (E_RNA)
where:
Base-Base interactions energy: -111.826
where: short stacking energy: -65.528
Base-Backbone interact. energy: -0.108
local terms energy: -70.875231
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.585 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -161.627409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.627409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.948452 (E_RNA)
where:
Base-Base interactions energy: -98.727
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.026
local terms energy: -63.195305
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -10.098
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -171.875240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.875240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.906110 (E_RNA)
where:
Base-Base interactions energy: -103.653
where: short stacking energy: -58.682
Base-Backbone interact. energy: -0.093
local terms energy: -68.160567
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -11.231
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: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -164.830584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.830584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.387566 (E_RNA)
where:
Base-Base interactions energy: -105.080
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.754
local terms energy: -59.553880
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -152.443479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.443479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.581529 (E_RNA)
where:
Base-Base interactions energy: -95.073
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.127
local terms energy: -57.381499
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -2.833
tors. eta vs tors. theta energy: -14.251
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: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -240.637044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.637044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.643790 (E_RNA)
where:
Base-Base interactions energy: -154.027
where: short stacking energy: -79.442
Base-Backbone interact. energy: -0.752
local terms energy: -85.864973
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -22.808
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -236.036071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.036071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.053468 (E_RNA)
where:
Base-Base interactions energy: -150.872
where: short stacking energy: -79.691
Base-Backbone interact. energy: -0.000
local terms energy: -85.180786
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -21.276
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: 378
Temperature: 1.000000
Total energy: -204.535916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.535916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.955096 (E_RNA)
where:
Base-Base interactions energy: -132.983
where: short stacking energy: -79.587
Base-Backbone interact. energy: -0.032
local terms energy: -72.940037
where:
bonds (distance) C4'-P energy: -8.923
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 1.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -186.341806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.341806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.426539 (E_RNA)
where:
Base-Base interactions energy: -109.158
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.063
local terms energy: -77.205987
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -185.533994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.533994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.542412 (E_RNA)
where:
Base-Base interactions energy: -122.785
where: short stacking energy: -66.329
Base-Backbone interact. energy: -0.310
local terms energy: -62.446976
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -15.093
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: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -190.218116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.218116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.261178 (E_RNA)
where:
Base-Base interactions energy: -114.917
where: short stacking energy: -61.055
Base-Backbone interact. energy: -0.887
local terms energy: -74.457670
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -18.399
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: 378
Temperature: 1.200000
Total energy: -174.101651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.101651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.173152 (E_RNA)
where:
Base-Base interactions energy: -106.313
where: short stacking energy: -63.207
Base-Backbone interact. energy: 1.907
local terms energy: -69.767955
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -17.033
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: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -154.204168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.204168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.216075 (E_RNA)
where:
Base-Base interactions energy: -93.726
where: short stacking energy: -49.397
Base-Backbone interact. energy: 0.844
local terms energy: -61.334101
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -6.097
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: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -153.066016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.066016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.085791 (E_RNA)
where:
Base-Base interactions energy: -100.322
where: short stacking energy: -53.012
Base-Backbone interact. energy: -1.301
local terms energy: -51.462627
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -8.900
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: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -150.020903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.020903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.252082 (E_RNA)
where:
Base-Base interactions energy: -87.957
where: short stacking energy: -47.113
Base-Backbone interact. energy: 1.552
local terms energy: -63.847382
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -11.966
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -230.274479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.274479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.311644 (E_RNA)
where:
Base-Base interactions energy: -151.943
where: short stacking energy: -79.467
Base-Backbone interact. energy: 0.064
local terms energy: -78.431799
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -21.026
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: 10
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -238.620382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.620382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.954575 (E_RNA)
where:
Base-Base interactions energy: -157.104
where: short stacking energy: -80.632
Base-Backbone interact. energy: -0.240
local terms energy: -82.610344
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.531
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -210.875684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.875684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.881079 (E_RNA)
where:
Base-Base interactions energy: -136.062
where: short stacking energy: -76.161
Base-Backbone interact. energy: -0.001
local terms energy: -74.818425
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -19.443
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: 379
Temperature: 1.050000
Total energy: -189.601747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.601747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.822912 (E_RNA)
where:
Base-Base interactions energy: -123.667
where: short stacking energy: -78.597
Base-Backbone interact. energy: -0.056
local terms energy: -66.099682
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -16.015
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: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -184.850968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.850968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.850968 (E_RNA)
where:
Base-Base interactions energy: -116.583
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.202
local terms energy: -68.065933
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -8.728
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: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -187.873025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.873025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.914719 (E_RNA)
where:
Base-Base interactions energy: -121.202
where: short stacking energy: -76.649
Base-Backbone interact. energy: -0.124
local terms energy: -66.588713
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -19.838
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: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -165.608280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.608280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.752682 (E_RNA)
where:
Base-Base interactions energy: -108.472
where: short stacking energy: -62.241
Base-Backbone interact. energy: -0.075
local terms energy: -57.205688
where:
bonds (distance) C4'-P energy: -6.438
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: -10.324
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: 379
Temperature: 1.250000
Total energy: -165.193320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.193320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.225501 (E_RNA)
where:
Base-Base interactions energy: -103.949
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.008
local terms energy: -61.268512
where:
bonds (distance) C4'-P energy: -4.549
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -15.822
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: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -164.236642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.236642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.250764 (E_RNA)
where:
Base-Base interactions energy: -111.802
where: short stacking energy: -68.781
Base-Backbone interact. energy: -0.075
local terms energy: -52.374116
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -9.724
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: 0.489
tors. eta vs tors. theta energy: -17.881
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: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -158.760043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.760043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.774906 (E_RNA)
where:
Base-Base interactions energy: -94.000
where: short stacking energy: -61.926
Base-Backbone interact. energy: -1.035
local terms energy: -63.740214
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -15.881
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: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -236.044563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.044563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.053935 (E_RNA)
where:
Base-Base interactions energy: -153.472
where: short stacking energy: -89.148
Base-Backbone interact. energy: -0.490
local terms energy: -83.092094
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 1.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -231.298322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.298322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.298322 (E_RNA)
where:
Base-Base interactions energy: -146.134
where: short stacking energy: -78.704
Base-Backbone interact. energy: -0.059
local terms energy: -85.105677
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -22.169
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: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -215.828108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.828108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.498954 (E_RNA)
where:
Base-Base interactions energy: -143.293
where: short stacking energy: -78.246
Base-Backbone interact. energy: -0.156
local terms energy: -74.050525
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 1.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -182.901043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.901043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.997674 (E_RNA)
where:
Base-Base interactions energy: -108.198
where: short stacking energy: -68.937
Base-Backbone interact. energy: -0.006
local terms energy: -74.793810
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -13.516
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: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -201.461208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.461208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.462170 (E_RNA)
where:
Base-Base interactions energy: -126.821
where: short stacking energy: -67.176
Base-Backbone interact. energy: -0.396
local terms energy: -74.245431
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -20.046
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: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -180.594954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.594954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.495732 (E_RNA)
where:
Base-Base interactions energy: -114.899
where: short stacking energy: -55.325
Base-Backbone interact. energy: -0.633
local terms energy: -65.963559
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -12.354
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -177.791880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.791880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.103154 (E_RNA)
where:
Base-Base interactions energy: -114.700
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.007
local terms energy: -63.396271
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -15.657
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: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -182.506914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.506914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.506914 (E_RNA)
where:
Base-Base interactions energy: -106.255
where: short stacking energy: -62.146
Base-Backbone interact. energy: -0.027
local terms energy: -76.225528
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: 0.000 (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: 380
Temperature: 1.300000
Total energy: -175.018733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.018733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.023935 (E_RNA)
where:
Base-Base interactions energy: -116.009
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.082
local terms energy: -58.933410
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -11.176
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: 380
Temperature: 1.350000
Total energy: -156.791412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.791412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.846114 (E_RNA)
where:
Base-Base interactions energy: -92.988
where: short stacking energy: -47.535
Base-Backbone interact. energy: -0.107
local terms energy: -63.751677
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -9.506
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: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -246.036722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.036722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.485789 (E_RNA)
where:
Base-Base interactions energy: -158.222
where: short stacking energy: -83.725
Base-Backbone interact. energy: -0.986
local terms energy: -87.277083
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -231.090412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.090412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.102339 (E_RNA)
where:
Base-Base interactions energy: -148.851
where: short stacking energy: -80.334
Base-Backbone interact. energy: -0.068
local terms energy: -82.182949
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -22.572
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: 381
Temperature: 1.000000
Total energy: -213.224114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.224114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.670111 (E_RNA)
where:
Base-Base interactions energy: -126.272
where: short stacking energy: -69.811
Base-Backbone interact. energy: -0.067
local terms energy: -88.330982
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 1.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -212.835191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.835191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.310716 (E_RNA)
where:
Base-Base interactions energy: -144.299
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.109
local terms energy: -68.903111
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -173.265898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.265898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.562063 (E_RNA)
where:
Base-Base interactions energy: -98.356
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.129
local terms energy: -75.076763
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -168.563907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.563907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.900511 (E_RNA)
where:
Base-Base interactions energy: -101.124
where: short stacking energy: -54.220
Base-Backbone interact. energy: -0.139
local terms energy: -67.637870
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.337 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -172.632255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.632255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.659396 (E_RNA)
where:
Base-Base interactions energy: -100.143
where: short stacking energy: -59.897
Base-Backbone interact. energy: -0.015
local terms energy: -72.501507
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -14.476
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: 2
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -167.459571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.459571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.568166 (E_RNA)
where:
Base-Base interactions energy: -93.045
where: short stacking energy: -58.188
Base-Backbone interact. energy: -0.421
local terms energy: -74.101879
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -17.618
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: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -166.236767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.236767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.386248 (E_RNA)
where:
Base-Base interactions energy: -101.752
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.002
local terms energy: -64.632911
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -14.305
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -146.615812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.615812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.293643 (E_RNA)
where:
Base-Base interactions energy: -87.860
where: short stacking energy: -50.981
Base-Backbone interact. energy: -1.607
local terms energy: -57.826509
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -241.602491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.602491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.681168 (E_RNA)
where:
Base-Base interactions energy: -157.239
where: short stacking energy: -81.916
Base-Backbone interact. energy: -0.007
local terms energy: -85.435210
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 1.079 (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: 382
Temperature: 0.950000
Total energy: -231.827320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.827320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.550304 (E_RNA)
where:
Base-Base interactions energy: -146.038
where: short stacking energy: -80.172
Base-Backbone interact. energy: -0.560
local terms energy: -85.952442
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -210.830502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.830502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.699986 (E_RNA)
where:
Base-Base interactions energy: -138.178
where: short stacking energy: -58.913
Base-Backbone interact. energy: 1.491
local terms energy: -75.013339
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -13.633
tors. eta vs tors. theta energy: -13.276
Dist. restrs. and SS energy: 0.869 (S_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: 382
Temperature: 1.050000
Total energy: -195.008024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.008024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.115214 (E_RNA)
where:
Base-Base interactions energy: -116.976
where: short stacking energy: -78.944
Base-Backbone interact. energy: -0.867
local terms energy: -77.272079
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -19.025
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: 382
Temperature: 1.100000
Total energy: -171.993556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.993556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.067100 (E_RNA)
where:
Base-Base interactions energy: -100.203
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.165
local terms energy: -71.699217
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -17.180
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: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -160.846280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.846280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.110738 (E_RNA)
where:
Base-Base interactions energy: -99.712
where: short stacking energy: -61.756
Base-Backbone interact. energy: -0.011
local terms energy: -61.387425
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -168.552527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.552527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.608902 (E_RNA)
where:
Base-Base interactions energy: -104.603
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.106
local terms energy: -63.900412
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -9.750
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: 382
Temperature: 1.250000
Total energy: -168.939086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.939086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.957928 (E_RNA)
where:
Base-Base interactions energy: -106.517
where: short stacking energy: -41.878
Base-Backbone interact. energy: -0.270
local terms energy: -62.170524
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -7.722
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: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -155.382496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.382496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.706094 (E_RNA)
where:
Base-Base interactions energy: -88.782
where: short stacking energy: -52.022
Base-Backbone interact. energy: -0.754
local terms energy: -66.169460
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.324 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -154.462407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.462407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.359490 (E_RNA)
where:
Base-Base interactions energy: -84.799
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.002
local terms energy: -70.558083
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.897 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -239.690406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.690406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.708409 (E_RNA)
where:
Base-Base interactions energy: -151.964
where: short stacking energy: -78.347
Base-Backbone interact. energy: -0.016
local terms energy: -87.727863
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -25.216
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: 383
Temperature: 0.950000
Total energy: -229.874754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.874754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.956587 (E_RNA)
where:
Base-Base interactions energy: -149.505
where: short stacking energy: -83.471
Base-Backbone interact. energy: 0.766
local terms energy: -82.217036
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -23.963
Dist. restrs. and SS energy: 1.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -193.209615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.209615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.301842 (E_RNA)
where:
Base-Base interactions energy: -121.597
where: short stacking energy: -62.461
Base-Backbone interact. energy: -0.023
local terms energy: -71.681245
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -11.484
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -187.374636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.374636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.439933 (E_RNA)
where:
Base-Base interactions energy: -126.652
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.522
local terms energy: -60.266646
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -12.407
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: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -174.556108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.556108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.556108 (E_RNA)
where:
Base-Base interactions energy: -102.884
where: short stacking energy: -59.717
Base-Backbone interact. energy: -0.399
local terms energy: -71.272173
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -10.720
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: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -175.011145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.011145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.011145 (E_RNA)
where:
Base-Base interactions energy: -107.995
where: short stacking energy: -61.149
Base-Backbone interact. energy: -0.082
local terms energy: -66.934270
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -14.926
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: 7, replica: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -190.053912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.053912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.084401 (E_RNA)
where:
Base-Base interactions energy: -119.397
where: short stacking energy: -71.617
Base-Backbone interact. energy: -0.009
local terms energy: -70.678943
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -20.160
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: 383
Temperature: 1.250000
Total energy: -176.024527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.024527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.243692 (E_RNA)
where:
Base-Base interactions energy: -109.741
where: short stacking energy: -57.163
Base-Backbone interact. energy: -0.000
local terms energy: -66.502341
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -18.887
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: 9, replica: 2
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -167.034939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.034939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.306840 (E_RNA)
where:
Base-Base interactions energy: -105.210
where: short stacking energy: -56.861
Base-Backbone interact. energy: -0.045
local terms energy: -62.051815
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -11.498
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: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -146.665107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.665107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.666834 (E_RNA)
where:
Base-Base interactions energy: -97.360
where: short stacking energy: -56.626
Base-Backbone interact. energy: -0.147
local terms energy: -49.159916
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -7.918
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -8.964
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: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -217.040576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.040576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.297548 (E_RNA)
where:
Base-Base interactions energy: -137.913
where: short stacking energy: -74.375
Base-Backbone interact. energy: -0.048
local terms energy: -80.336299
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 1.257 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -228.327414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.327414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.075236 (E_RNA)
where:
Base-Base interactions energy: -149.631
where: short stacking energy: -77.494
Base-Backbone interact. energy: -0.002
local terms energy: -80.442547
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 1.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -201.967243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.967243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.836375 (E_RNA)
where:
Base-Base interactions energy: -127.071
where: short stacking energy: -71.733
Base-Backbone interact. energy: -0.203
local terms energy: -75.562244
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -20.455
Dist. restrs. and SS energy: 0.869 (S_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: 384
Temperature: 1.050000
Total energy: -197.167980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.167980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.192178 (E_RNA)
where:
Base-Base interactions energy: -120.736
where: short stacking energy: -80.349
Base-Backbone interact. energy: -0.321
local terms energy: -76.134501
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -18.829
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: 4
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -197.975492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.975492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.003502 (E_RNA)
where:
Base-Base interactions energy: -123.551
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.109
local terms energy: -74.344059
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -16.296
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: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -170.462481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.462481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.633926 (E_RNA)
where:
Base-Base interactions energy: -102.570
where: short stacking energy: -55.516
Base-Backbone interact. energy: -0.179
local terms energy: -67.884887
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -169.261552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.261552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.393319 (E_RNA)
where:
Base-Base interactions energy: -98.423
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.130
local terms energy: -70.840328
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -10.649
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -165.512733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.512733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.534695 (E_RNA)
where:
Base-Base interactions energy: -105.169
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.323
local terms energy: -60.042797
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -6.240
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: 384
Temperature: 1.300000
Total energy: -140.487752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.487752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.630734 (E_RNA)
where:
Base-Base interactions energy: -82.250
where: short stacking energy: -45.467
Base-Backbone interact. energy: 2.572
local terms energy: -60.953543
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -146.189610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.189610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.323587 (E_RNA)
where:
Base-Base interactions energy: -86.609
where: short stacking energy: -45.975
Base-Backbone interact. energy: 0.274
local terms energy: -59.988845
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -8.865
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: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -240.690334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.690334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.697424 (E_RNA)
where:
Base-Base interactions energy: -158.905
where: short stacking energy: -86.644
Base-Backbone interact. energy: -0.149
local terms energy: -83.643071
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 2.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -212.285511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.285511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.939137 (E_RNA)
where:
Base-Base interactions energy: -134.686
where: short stacking energy: -67.274
Base-Backbone interact. energy: -0.238
local terms energy: -78.015058
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -17.365
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -192.883672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.883672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.886186 (E_RNA)
where:
Base-Base interactions energy: -119.154
where: short stacking energy: -68.621
Base-Backbone interact. energy: -0.069
local terms energy: -73.662974
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -17.312
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: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -180.975154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.975154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.603596 (E_RNA)
where:
Base-Base interactions energy: -108.602
where: short stacking energy: -67.372
Base-Backbone interact. energy: 0.242
local terms energy: -73.243720
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.628 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -186.075347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.075347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.210711 (E_RNA)
where:
Base-Base interactions energy: -118.359
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.748
local terms energy: -68.103906
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 1.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -176.955768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.955768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.012969 (E_RNA)
where:
Base-Base interactions energy: -109.351
where: short stacking energy: -65.047
Base-Backbone interact. energy: -0.087
local terms energy: -67.575256
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -13.414
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: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -173.327863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.327863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.826160 (E_RNA)
where:
Base-Base interactions energy: -104.432
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.089
local terms energy: -69.305445
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -14.000
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: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -156.349052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.349052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.527519 (E_RNA)
where:
Base-Base interactions energy: -90.907
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.238
local terms energy: -65.382488
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -11.295
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: 385
Temperature: 1.300000
Total energy: -148.287111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.287111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.366513 (E_RNA)
where:
Base-Base interactions energy: -95.832
where: short stacking energy: -53.879
Base-Backbone interact. energy: -0.016
local terms energy: -52.518851
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -5.673
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -10.568
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: 385
Temperature: 1.350000
Total energy: -164.769731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.769731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.804443 (E_RNA)
where:
Base-Base interactions energy: -98.146
where: short stacking energy: -48.003
Base-Backbone interact. energy: -0.418
local terms energy: -66.240128
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -11.904
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: 6
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -227.744810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.744810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.589718 (E_RNA)
where:
Base-Base interactions energy: -153.448
where: short stacking energy: -81.424
Base-Backbone interact. energy: -0.039
local terms energy: -75.103321
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -231.640012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.640012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.766823 (E_RNA)
where:
Base-Base interactions energy: -148.274
where: short stacking energy: -81.035
Base-Backbone interact. energy: -0.002
local terms energy: -84.490434
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 1.127 (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: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -216.402048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.402048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.402048 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -76.538
Base-Backbone interact. energy: -0.352
local terms energy: -83.288773
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -180.617533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.617533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.638727 (E_RNA)
where:
Base-Base interactions energy: -105.057
where: short stacking energy: -61.945
Base-Backbone interact. energy: -0.004
local terms energy: -75.578195
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -16.018
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: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -185.462081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.462081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.564070 (E_RNA)
where:
Base-Base interactions energy: -115.506
where: short stacking energy: -73.351
Base-Backbone interact. energy: -0.776
local terms energy: -69.282606
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -182.567300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.567300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.673898 (E_RNA)
where:
Base-Base interactions energy: -117.106
where: short stacking energy: -64.216
Base-Backbone interact. energy: 1.207
local terms energy: -66.775356
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -12.620
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: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -167.229114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.229114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.283649 (E_RNA)
where:
Base-Base interactions energy: -105.708
where: short stacking energy: -62.238
Base-Backbone interact. energy: -0.084
local terms energy: -61.492108
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -7.046
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -17.439
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: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -172.174115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.174115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.478600 (E_RNA)
where:
Base-Base interactions energy: -104.235
where: short stacking energy: -54.359
Base-Backbone interact. energy: -0.062
local terms energy: -68.182275
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -154.751175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.751175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.808375 (E_RNA)
where:
Base-Base interactions energy: -93.009
where: short stacking energy: -54.750
Base-Backbone interact. energy: -0.027
local terms energy: -61.772467
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -7.890
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: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -162.572890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.572890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.617382 (E_RNA)
where:
Base-Base interactions energy: -107.354
where: short stacking energy: -63.688
Base-Backbone interact. energy: 1.320
local terms energy: -56.582844
where:
bonds (distance) C4'-P energy: -5.403
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -14.507
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: 6
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -226.985246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.985246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.142148 (E_RNA)
where:
Base-Base interactions energy: -154.651
where: short stacking energy: -80.702
Base-Backbone interact. energy: -0.340
local terms energy: -74.150440
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -14.027
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 2.157 (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: 10
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -232.000888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.000888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.153936 (E_RNA)
where:
Base-Base interactions energy: -148.392
where: short stacking energy: -78.928
Base-Backbone interact. energy: -0.057
local terms energy: -83.704891
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -22.466
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: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -206.807035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.807035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.827282 (E_RNA)
where:
Base-Base interactions energy: -134.645
where: short stacking energy: -76.041
Base-Backbone interact. energy: -0.025
local terms energy: -72.157629
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -14.783
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: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -198.143494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.143494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.667168 (E_RNA)
where:
Base-Base interactions energy: -129.814
where: short stacking energy: -68.879
Base-Backbone interact. energy: -0.035
local terms energy: -69.817946
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 1.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -194.766932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.766932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.766932 (E_RNA)
where:
Base-Base interactions energy: -134.425
where: short stacking energy: -74.754
Base-Backbone interact. energy: -0.078
local terms energy: -60.263138
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (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: 387
Temperature: 1.150000
Total energy: -190.837081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.837081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.865152 (E_RNA)
where:
Base-Base interactions energy: -122.480
where: short stacking energy: -71.312
Base-Backbone interact. energy: -0.039
local terms energy: -68.346270
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -16.211
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: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -176.569059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.569059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.594277 (E_RNA)
where:
Base-Base interactions energy: -109.723
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.457
local terms energy: -66.414310
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -14.666
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: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -163.950011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.950011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.980196 (E_RNA)
where:
Base-Base interactions energy: -98.796
where: short stacking energy: -57.216
Base-Backbone interact. energy: -1.242
local terms energy: -63.942130
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -7.742
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: 387
Temperature: 1.300000
Total energy: -153.102709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.102709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.257561 (E_RNA)
where:
Base-Base interactions energy: -93.074
where: short stacking energy: -58.098
Base-Backbone interact. energy: -0.481
local terms energy: -59.702727
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -10.670
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: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -146.427512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.427512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.121141 (E_RNA)
where:
Base-Base interactions energy: -92.488
where: short stacking energy: -60.321
Base-Backbone interact. energy: -0.346
local terms energy: -55.286734
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 1.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -233.427746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.427746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.443527 (E_RNA)
where:
Base-Base interactions energy: -149.707
where: short stacking energy: -80.877
Base-Backbone interact. energy: 1.366
local terms energy: -85.102651
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -22.635
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: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -233.590296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.590296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.781496 (E_RNA)
where:
Base-Base interactions energy: -148.810
where: short stacking energy: -82.919
Base-Backbone interact. energy: -0.007
local terms energy: -84.964763
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -21.468
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: 388
Temperature: 1.000000
Total energy: -195.309827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.309827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.687130 (E_RNA)
where:
Base-Base interactions energy: -116.580
where: short stacking energy: -74.801
Base-Backbone interact. energy: -0.001
local terms energy: -79.105910
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.377 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -195.710730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.710730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.872849 (E_RNA)
where:
Base-Base interactions energy: -113.055
where: short stacking energy: -72.000
Base-Backbone interact. energy: -1.035
local terms energy: -81.783272
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -20.012
Dist. restrs. and SS energy: 0.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -185.790102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.790102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.794555 (E_RNA)
where:
Base-Base interactions energy: -121.548
where: short stacking energy: -70.172
Base-Backbone interact. energy: -0.159
local terms energy: -64.087762
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -16.385
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: 388
Temperature: 1.150000
Total energy: -175.297169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.297169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.349731 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.030
local terms energy: -64.173326
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -12.034
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: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -179.599503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.599503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.315685 (E_RNA)
where:
Base-Base interactions energy: -124.302
where: short stacking energy: -67.183
Base-Backbone interact. energy: 2.125
local terms energy: -58.138346
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -159.665873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.665873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.691145 (E_RNA)
where:
Base-Base interactions energy: -98.970
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.066
local terms energy: -60.655392
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -9.206
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: 388
Temperature: 1.300000
Total energy: -149.739820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.739820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.797729 (E_RNA)
where:
Base-Base interactions energy: -89.871
where: short stacking energy: -50.634
Base-Backbone interact. energy: -0.996
local terms energy: -58.931234
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -12.724
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: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -140.882668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.882668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.903687 (E_RNA)
where:
Base-Base interactions energy: -81.282
where: short stacking energy: -36.649
Base-Backbone interact. energy: -0.047
local terms energy: -59.574541
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -4.195
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: 389
Temperature: 0.900000
Total energy: -230.947934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.947934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.683576 (E_RNA)
where:
Base-Base interactions energy: -150.939
where: short stacking energy: -73.819
Base-Backbone interact. energy: -0.574
local terms energy: -80.171156
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -18.825
Dist. restrs. and SS energy: 0.736 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -232.541964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.541964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.831698 (E_RNA)
where:
Base-Base interactions energy: -157.436
where: short stacking energy: -83.293
Base-Backbone interact. energy: -0.014
local terms energy: -75.382117
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -20.764
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: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -201.589990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.589990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.038263 (E_RNA)
where:
Base-Base interactions energy: -119.640
where: short stacking energy: -66.113
Base-Backbone interact. energy: -0.738
local terms energy: -81.660101
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -228.808620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.808620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.812528 (E_RNA)
where:
Base-Base interactions energy: -150.810
where: short stacking energy: -79.114
Base-Backbone interact. energy: -0.001
local terms energy: -78.001142
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -23.140
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: 389
Temperature: 1.100000
Total energy: -182.780006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.780006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.780006 (E_RNA)
where:
Base-Base interactions energy: -115.131
where: short stacking energy: -63.907
Base-Backbone interact. energy: -0.043
local terms energy: -67.605972
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (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: 389
Temperature: 1.150000
Total energy: -196.658841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.658841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.692868 (E_RNA)
where:
Base-Base interactions energy: -126.155
where: short stacking energy: -64.364
Base-Backbone interact. energy: 0.590
local terms energy: -72.128376
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 1.034 (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: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -168.926183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.926183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.985662 (E_RNA)
where:
Base-Base interactions energy: -111.845
where: short stacking energy: -54.707
Base-Backbone interact. energy: -0.149
local terms energy: -56.991784
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -10.482
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: 389
Temperature: 1.250000
Total energy: -140.685324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.685324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.773739 (E_RNA)
where:
Base-Base interactions energy: -86.283
where: short stacking energy: -43.878
Base-Backbone interact. energy: -0.081
local terms energy: -54.409994
where:
bonds (distance) C4'-P energy: -7.734
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -7.407
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: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -167.067570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.067570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.117928 (E_RNA)
where:
Base-Base interactions energy: -98.281
where: short stacking energy: -54.687
Base-Backbone interact. energy: -1.941
local terms energy: -66.896527
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -13.463
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: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -153.366843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.366843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.480700 (E_RNA)
where:
Base-Base interactions energy: -94.106
where: short stacking energy: -58.467
Base-Backbone interact. energy: 1.014
local terms energy: -60.389010
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -240.495725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.495725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.674324 (E_RNA)
where:
Base-Base interactions energy: -155.823
where: short stacking energy: -81.707
Base-Backbone interact. energy: -0.077
local terms energy: -84.773938
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -23.211
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: 390
Temperature: 0.950000
Total energy: -235.738623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.738623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.172581 (E_RNA)
where:
Base-Base interactions energy: -155.221
where: short stacking energy: -82.115
Base-Backbone interact. energy: -0.004
local terms energy: -80.947434
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -227.507918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.507918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.149562 (E_RNA)
where:
Base-Base interactions energy: -147.455
where: short stacking energy: -78.315
Base-Backbone interact. energy: -0.000
local terms energy: -80.694963
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.642 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -213.498564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.498564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.707343 (E_RNA)
where:
Base-Base interactions energy: -132.217
where: short stacking energy: -77.803
Base-Backbone interact. energy: -0.000
local terms energy: -81.490564
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -185.630795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.630795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.059179 (E_RNA)
where:
Base-Base interactions energy: -113.596
where: short stacking energy: -60.336
Base-Backbone interact. energy: 0.083
local terms energy: -72.545547
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.428 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -175.546659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.546659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.568739 (E_RNA)
where:
Base-Base interactions energy: -114.972
where: short stacking energy: -65.055
Base-Backbone interact. energy: 3.909
local terms energy: -64.505347
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -10.284
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: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -147.472800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.472800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.585874 (E_RNA)
where:
Base-Base interactions energy: -88.534
where: short stacking energy: -47.563
Base-Backbone interact. energy: -0.134
local terms energy: -58.917543
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -5.266
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: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -190.628883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.628883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.678285 (E_RNA)
where:
Base-Base interactions energy: -125.798
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.027
local terms energy: -64.853295
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -16.603
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: 390
Temperature: 1.300000
Total energy: -161.356132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.356132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.388892 (E_RNA)
where:
Base-Base interactions energy: -103.851
where: short stacking energy: -45.194
Base-Backbone interact. energy: -0.482
local terms energy: -57.055219
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -8.449
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: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -151.828708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.828708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.877136 (E_RNA)
where:
Base-Base interactions energy: -95.623
where: short stacking energy: -54.464
Base-Backbone interact. energy: -0.143
local terms energy: -56.110513
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -7.793
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: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -233.588676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.588676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.944423 (E_RNA)
where:
Base-Base interactions energy: -147.611
where: short stacking energy: -78.960
Base-Backbone interact. energy: -0.158
local terms energy: -86.174967
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -22.643
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: 2, replica: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -239.889449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.889449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.919463 (E_RNA)
where:
Base-Base interactions energy: -152.153
where: short stacking energy: -81.660
Base-Backbone interact. energy: 0.118
local terms energy: -88.885001
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -24.682
Dist. restrs. and SS energy: 1.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -228.065986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.065986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.070937 (E_RNA)
where:
Base-Base interactions energy: -150.617
where: short stacking energy: -83.172
Base-Backbone interact. energy: -0.002
local terms energy: -77.451830
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -22.567
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: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -191.910285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.910285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.226824 (E_RNA)
where:
Base-Base interactions energy: -116.372
where: short stacking energy: -65.064
Base-Backbone interact. energy: 0.316
local terms energy: -76.170250
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.317 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -176.893066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.893066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.117775 (E_RNA)
where:
Base-Base interactions energy: -106.655
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.027
local terms energy: -70.435926
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -14.349
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: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -179.401556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.401556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.542241 (E_RNA)
where:
Base-Base interactions energy: -109.613
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.034
local terms energy: -69.894868
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -170.959668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.959668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.981468 (E_RNA)
where:
Base-Base interactions energy: -110.257
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.897
local terms energy: -59.826961
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -15.785
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: 5
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -167.151021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.151021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.224977 (E_RNA)
where:
Base-Base interactions energy: -100.924
where: short stacking energy: -60.569
Base-Backbone interact. energy: 1.396
local terms energy: -67.697169
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -13.167
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: 2
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -145.929143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.929143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.476279 (E_RNA)
where:
Base-Base interactions energy: -88.922
where: short stacking energy: -48.128
Base-Backbone interact. energy: -0.303
local terms energy: -57.251765
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -4.773
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -150.632296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.632296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.720465 (E_RNA)
where:
Base-Base interactions energy: -86.475
where: short stacking energy: -46.921
Base-Backbone interact. energy: -0.046
local terms energy: -64.199349
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: -13.031
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: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -247.103007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.103007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.095783 (E_RNA)
where:
Base-Base interactions energy: -164.099
where: short stacking energy: -88.367
Base-Backbone interact. energy: -0.006
local terms energy: -83.990219
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.993 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -220.385240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.385240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.789462 (E_RNA)
where:
Base-Base interactions energy: -140.959
where: short stacking energy: -67.787
Base-Backbone interact. energy: 2.090
local terms energy: -81.920959
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -18.414
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: 3, replica: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -216.052648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.052648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.056125 (E_RNA)
where:
Base-Base interactions energy: -134.447
where: short stacking energy: -77.340
Base-Backbone interact. energy: -0.236
local terms energy: -81.373604
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -19.523
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: 392
Temperature: 1.050000
Total energy: -225.985978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.985978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.998073 (E_RNA)
where:
Base-Base interactions energy: -147.486
where: short stacking energy: -76.321
Base-Backbone interact. energy: -0.499
local terms energy: -78.012910
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -22.623
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: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -194.833693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.833693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.120324 (E_RNA)
where:
Base-Base interactions energy: -120.397
where: short stacking energy: -71.015
Base-Backbone interact. energy: 1.413
local terms energy: -76.136151
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -14.496
tors. eta vs tors. theta energy: -21.781
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: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -204.304144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.304144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.509855 (E_RNA)
where:
Base-Base interactions energy: -126.870
where: short stacking energy: -71.035
Base-Backbone interact. energy: -0.338
local terms energy: -77.301609
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -20.248
Dist. restrs. and SS energy: 0.206 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -173.886910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.886910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.934895 (E_RNA)
where:
Base-Base interactions energy: -101.186
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.740
local terms energy: -72.009057
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -15.129
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: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -160.726383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.726383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.355552 (E_RNA)
where:
Base-Base interactions energy: -93.247
where: short stacking energy: -57.725
Base-Backbone interact. energy: 0.114
local terms energy: -68.223274
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -151.906401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.906401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.187625 (E_RNA)
where:
Base-Base interactions energy: -89.874
where: short stacking energy: -50.294
Base-Backbone interact. energy: -0.633
local terms energy: -61.680374
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -7.801
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -153.576547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.576547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.849476 (E_RNA)
where:
Base-Base interactions energy: -93.096
where: short stacking energy: -56.579
Base-Backbone interact. energy: -0.291
local terms energy: -60.462371
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -9.719
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: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -239.378830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.378830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.030188 (E_RNA)
where:
Base-Base interactions energy: -153.762
where: short stacking energy: -83.871
Base-Backbone interact. energy: -0.246
local terms energy: -87.022115
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -24.492
Dist. restrs. and SS energy: 1.651 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -231.229506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.229506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.580160 (E_RNA)
where:
Base-Base interactions energy: -158.895
where: short stacking energy: -81.788
Base-Backbone interact. energy: -0.061
local terms energy: -72.624161
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -235.775098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.775098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.605103 (E_RNA)
where:
Base-Base interactions energy: -152.983
where: short stacking energy: -76.445
Base-Backbone interact. energy: -0.043
local terms energy: -83.578311
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -22.917
Dist. restrs. and SS energy: 0.830 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -198.735566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.735566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.303371 (E_RNA)
where:
Base-Base interactions energy: -123.727
where: short stacking energy: -69.431
Base-Backbone interact. energy: 0.113
local terms energy: -75.690041
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -187.073867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.073867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.114292 (E_RNA)
where:
Base-Base interactions energy: -121.026
where: short stacking energy: -64.708
Base-Backbone interact. energy: -1.086
local terms energy: -65.002444
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -17.771
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: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -177.991756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.991756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.991756 (E_RNA)
where:
Base-Base interactions energy: -112.731
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.449
local terms energy: -64.811753
where:
bonds (distance) C4'-P energy: -11.410
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -12.277
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: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -190.770782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.770782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.993193 (E_RNA)
where:
Base-Base interactions energy: -129.251
where: short stacking energy: -56.916
Base-Backbone interact. energy: -0.154
local terms energy: -61.588600
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -161.004530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.004530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.219022 (E_RNA)
where:
Base-Base interactions energy: -103.599
where: short stacking energy: -62.074
Base-Backbone interact. energy: -0.026
local terms energy: -57.594142
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -9.976
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: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -171.674671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.674671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.701325 (E_RNA)
where:
Base-Base interactions energy: -106.593
where: short stacking energy: -62.675
Base-Backbone interact. energy: -0.004
local terms energy: -65.104571
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -9.326
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -19.159
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: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -163.715895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.715895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.894001 (E_RNA)
where:
Base-Base interactions energy: -97.682
where: short stacking energy: -58.797
Base-Backbone interact. energy: -0.023
local terms energy: -66.188663
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -11.392
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: 394
Temperature: 0.900000
Total energy: -238.983770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.983770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.758107 (E_RNA)
where:
Base-Base interactions energy: -153.662
where: short stacking energy: -82.753
Base-Backbone interact. energy: -0.754
local terms energy: -85.342817
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -229.285640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.285640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.348804 (E_RNA)
where:
Base-Base interactions energy: -145.657
where: short stacking energy: -78.623
Base-Backbone interact. energy: -0.140
local terms energy: -83.551840
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -22.545
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -212.139265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.139265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.228875 (E_RNA)
where:
Base-Base interactions energy: -142.276
where: short stacking energy: -78.098
Base-Backbone interact. energy: -0.002
local terms energy: -69.950271
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -181.290721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.290721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.332031 (E_RNA)
where:
Base-Base interactions energy: -109.944
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.317
local terms energy: -71.070114
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -16.569
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: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -190.762878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.762878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.795753 (E_RNA)
where:
Base-Base interactions energy: -112.935
where: short stacking energy: -71.395
Base-Backbone interact. energy: -0.290
local terms energy: -77.571467
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -20.109
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: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -180.031824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.031824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.133267 (E_RNA)
where:
Base-Base interactions energy: -107.647
where: short stacking energy: -62.694
Base-Backbone interact. energy: -0.290
local terms energy: -72.196406
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -17.264
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -167.515031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.515031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.542654 (E_RNA)
where:
Base-Base interactions energy: -101.298
where: short stacking energy: -56.082
Base-Backbone interact. energy: -0.189
local terms energy: -66.056075
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -13.029
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: 394
Temperature: 1.250000
Total energy: -161.721733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.721733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.884663 (E_RNA)
where:
Base-Base interactions energy: -97.414
where: short stacking energy: -54.950
Base-Backbone interact. energy: -0.303
local terms energy: -64.167297
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -7.418
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: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -169.408220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.408220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.164281 (E_RNA)
where:
Base-Base interactions energy: -108.559
where: short stacking energy: -64.427
Base-Backbone interact. energy: -0.914
local terms energy: -60.691417
where:
bonds (distance) C4'-P energy: -8.785
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -159.936899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.936899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.019224 (E_RNA)
where:
Base-Base interactions energy: -101.225
where: short stacking energy: -58.996
Base-Backbone interact. energy: -0.146
local terms energy: -58.648314
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -12.380
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: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -240.794999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.794999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.581775 (E_RNA)
where:
Base-Base interactions energy: -157.391
where: short stacking energy: -82.157
Base-Backbone interact. energy: -0.000
local terms energy: -84.190045
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -14.880
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -225.428089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.428089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.523849 (E_RNA)
where:
Base-Base interactions energy: -146.799
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.039
local terms energy: -78.685349
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -19.537
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: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -216.979559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.979559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.411340 (E_RNA)
where:
Base-Base interactions energy: -144.179
where: short stacking energy: -68.808
Base-Backbone interact. energy: -0.132
local terms energy: -73.099770
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -189.591910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.591910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.020653 (E_RNA)
where:
Base-Base interactions energy: -109.279
where: short stacking energy: -73.400
Base-Backbone interact. energy: -0.096
local terms energy: -80.646212
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.429 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -173.927437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.927437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.927437 (E_RNA)
where:
Base-Base interactions energy: -109.117
where: short stacking energy: -60.616
Base-Backbone interact. energy: -0.498
local terms energy: -64.311884
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (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: 395
Temperature: 1.150000
Total energy: -187.178231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.178231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.368756 (E_RNA)
where:
Base-Base interactions energy: -114.072
where: short stacking energy: -70.333
Base-Backbone interact. energy: -0.463
local terms energy: -72.834005
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -180.785005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.785005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.460479 (E_RNA)
where:
Base-Base interactions energy: -115.450
where: short stacking energy: -54.099
Base-Backbone interact. energy: -0.047
local terms energy: -65.962840
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -154.379428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.379428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.413118 (E_RNA)
where:
Base-Base interactions energy: -87.351
where: short stacking energy: -47.858
Base-Backbone interact. energy: -0.218
local terms energy: -66.844305
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -9.162
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: 395
Temperature: 1.300000
Total energy: -161.009712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.009712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.035141 (E_RNA)
where:
Base-Base interactions energy: -107.473
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.332
local terms energy: -53.230508
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -5.038
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -147.149560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.149560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.149560 (E_RNA)
where:
Base-Base interactions energy: -94.616
where: short stacking energy: -53.482
Base-Backbone interact. energy: 0.208
local terms energy: -52.740732
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -3.663
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (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: 396
Temperature: 0.900000
Total energy: -249.172732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.172732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.212518 (E_RNA)
where:
Base-Base interactions energy: -164.151
where: short stacking energy: -93.985
Base-Backbone interact. energy: -0.003
local terms energy: -85.058671
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -234.087090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.087090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.148326 (E_RNA)
where:
Base-Base interactions energy: -147.340
where: short stacking energy: -74.820
Base-Backbone interact. energy: -0.301
local terms energy: -86.508161
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -24.701
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: 6
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -219.876738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.876738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.637858 (E_RNA)
where:
Base-Base interactions energy: -149.579
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.537
local terms energy: -70.521332
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.761 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -197.665114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.665114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.682402 (E_RNA)
where:
Base-Base interactions energy: -120.726
where: short stacking energy: -65.921
Base-Backbone interact. energy: -0.372
local terms energy: -76.583989
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -178.545079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.545079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.551032 (E_RNA)
where:
Base-Base interactions energy: -109.447
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.678
local terms energy: -68.425687
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -15.738
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: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -171.683058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.683058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.683350 (E_RNA)
where:
Base-Base interactions energy: -108.315
where: short stacking energy: -65.712
Base-Backbone interact. energy: -0.166
local terms energy: -63.202550
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -9.618
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: 7, replica: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -170.150530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.150530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.490652 (E_RNA)
where:
Base-Base interactions energy: -102.228
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.527
local terms energy: -67.736002
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.340 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -149.269582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.269582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.506026 (E_RNA)
where:
Base-Base interactions energy: -92.413
where: short stacking energy: -54.167
Base-Backbone interact. energy: 0.972
local terms energy: -58.065120
where:
bonds (distance) C4'-P energy: -7.291
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -11.648
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: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -172.178145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.178145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.178145 (E_RNA)
where:
Base-Base interactions energy: -104.578
where: short stacking energy: -49.283
Base-Backbone interact. energy: -0.507
local terms energy: -67.092560
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (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: 396
Temperature: 1.350000
Total energy: -161.040907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.040907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.175274 (E_RNA)
where:
Base-Base interactions energy: -101.408
where: short stacking energy: -52.197
Base-Backbone interact. energy: 4.352
local terms energy: -64.119583
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -17.392
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: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -244.386161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.386161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.448400 (E_RNA)
where:
Base-Base interactions energy: -161.239
where: short stacking energy: -87.005
Base-Backbone interact. energy: -0.019
local terms energy: -83.190057
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -17.659
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -23.562
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: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -238.576525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.576525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.745218 (E_RNA)
where:
Base-Base interactions energy: -150.251
where: short stacking energy: -82.248
Base-Backbone interact. energy: -0.000
local terms energy: -88.493505
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -24.607
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: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -230.201862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.201862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.970239 (E_RNA)
where:
Base-Base interactions energy: -150.712
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.152
local terms energy: -80.106631
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -198.548454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.548454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.616221 (E_RNA)
where:
Base-Base interactions energy: -123.813
where: short stacking energy: -79.670
Base-Backbone interact. energy: -0.417
local terms energy: -74.386920
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -18.344
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: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -169.635571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.635571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.791506 (E_RNA)
where:
Base-Base interactions energy: -104.791
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.556
local terms energy: -64.444230
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -13.836
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -13.852
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: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -184.276992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.276992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.300200 (E_RNA)
where:
Base-Base interactions energy: -112.152
where: short stacking energy: -67.625
Base-Backbone interact. energy: -0.192
local terms energy: -71.955809
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -18.349
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: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -169.157256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.157256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.211190 (E_RNA)
where:
Base-Base interactions energy: -96.658
where: short stacking energy: -50.985
Base-Backbone interact. energy: -0.360
local terms energy: -72.193488
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -14.721
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: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -172.264080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.264080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.264080 (E_RNA)
where:
Base-Base interactions energy: -104.347
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.201
local terms energy: -67.716877
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -13.294
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: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -150.300784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.300784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.303583 (E_RNA)
where:
Base-Base interactions energy: -91.778
where: short stacking energy: -52.794
Base-Backbone interact. energy: -0.432
local terms energy: -58.093722
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.540
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: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -151.472137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.472137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.544182 (E_RNA)
where:
Base-Base interactions energy: -97.249
where: short stacking energy: -47.249
Base-Backbone interact. energy: -0.603
local terms energy: -53.691731
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -15.780
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -8.741
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: 398
Temperature: 0.900000
Total energy: -240.875548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.875548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.884480 (E_RNA)
where:
Base-Base interactions energy: -158.522
where: short stacking energy: -86.495
Base-Backbone interact. energy: -1.111
local terms energy: -81.250683
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -21.194
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: 398
Temperature: 0.950000
Total energy: -230.570949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.570949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.581815 (E_RNA)
where:
Base-Base interactions energy: -151.230
where: short stacking energy: -79.224
Base-Backbone interact. energy: -0.171
local terms energy: -79.180966
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -20.443
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: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -219.232931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.232931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.631637 (E_RNA)
where:
Base-Base interactions energy: -138.753
where: short stacking energy: -70.708
Base-Backbone interact. energy: -1.022
local terms energy: -79.856540
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -179.258614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.258614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.258614 (E_RNA)
where:
Base-Base interactions energy: -109.497
where: short stacking energy: -68.889
Base-Backbone interact. energy: -0.036
local terms energy: -69.724879
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: -0.000 (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: 398
Temperature: 1.100000
Total energy: -175.762152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.935619 (E_RNA)
where:
Base-Base interactions energy: -105.084
where: short stacking energy: -56.142
Base-Backbone interact. energy: -0.139
local terms energy: -70.712267
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -167.929956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.929956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.918800 (E_RNA)
where:
Base-Base interactions energy: -94.535
where: short stacking energy: -66.307
Base-Backbone interact. energy: -0.625
local terms energy: -73.758712
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.989 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -168.507468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.507468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.550981 (E_RNA)
where:
Base-Base interactions energy: -113.203
where: short stacking energy: -63.103
Base-Backbone interact. energy: 2.088
local terms energy: -57.436047
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -12.312
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: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -158.310834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.310834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.451218 (E_RNA)
where:
Base-Base interactions energy: -92.154
where: short stacking energy: -50.513
Base-Backbone interact. energy: -0.473
local terms energy: -65.824340
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -10.328
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: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -157.425678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.425678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.425678 (E_RNA)
where:
Base-Base interactions energy: -94.906
where: short stacking energy: -52.438
Base-Backbone interact. energy: -0.128
local terms energy: -62.391861
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (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: 398
Temperature: 1.350000
Total energy: -143.691147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.691147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.805592 (E_RNA)
where:
Base-Base interactions energy: -84.930
where: short stacking energy: -42.771
Base-Backbone interact. energy: -1.303
local terms energy: -57.572533
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -238.352552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.352552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.368133 (E_RNA)
where:
Base-Base interactions energy: -153.279
where: short stacking energy: -77.120
Base-Backbone interact. energy: -0.023
local terms energy: -85.066805
where:
bonds (distance) C4'-P energy: -18.440
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -21.292
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: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -233.772076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.772076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.428284 (E_RNA)
where:
Base-Base interactions energy: -151.331
where: short stacking energy: -82.041
Base-Backbone interact. energy: -0.032
local terms energy: -84.064750
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -9.718
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 1.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -235.917530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.917530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.918638 (E_RNA)
where:
Base-Base interactions energy: -153.608
where: short stacking energy: -82.032
Base-Backbone interact. energy: -0.024
local terms energy: -82.287175
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -21.438
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: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -195.668127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.668127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.668127 (E_RNA)
where:
Base-Base interactions energy: -118.362
where: short stacking energy: -70.934
Base-Backbone interact. energy: -0.172
local terms energy: -77.133677
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -15.847
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: 399
Temperature: 1.100000
Total energy: -197.732284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.732284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.754495 (E_RNA)
where:
Base-Base interactions energy: -123.157
where: short stacking energy: -71.473
Base-Backbone interact. energy: -0.320
local terms energy: -74.277897
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -19.083
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: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -182.350993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.350993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.390425 (E_RNA)
where:
Base-Base interactions energy: -104.746
where: short stacking energy: -65.909
Base-Backbone interact. energy: -0.009
local terms energy: -77.635281
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -13.634
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: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -166.614572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.614572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.518982 (E_RNA)
where:
Base-Base interactions energy: -99.748
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.165
local terms energy: -67.605558
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.904 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -171.448933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.448933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.011921 (E_RNA)
where:
Base-Base interactions energy: -104.410
where: short stacking energy: -59.117
Base-Backbone interact. energy: -0.002
local terms energy: -67.599367
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -11.445
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -160.895519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.895519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.918311 (E_RNA)
where:
Base-Base interactions energy: -103.467
where: short stacking energy: -49.695
Base-Backbone interact. energy: 0.628
local terms energy: -58.078921
where:
bonds (distance) C4'-P energy: -6.912
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -8.639
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: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -170.975304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.975304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.665143 (E_RNA)
where:
Base-Base interactions energy: -110.373
where: short stacking energy: -60.923
Base-Backbone interact. energy: -0.726
local terms energy: -60.565229
where:
bonds (distance) C4'-P energy: -7.411
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.690 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -244.689336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.689336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.748180 (E_RNA)
where:
Base-Base interactions energy: -158.735
where: short stacking energy: -87.166
Base-Backbone interact. energy: 0.276
local terms energy: -86.289327
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -22.296
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: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -238.116533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.116533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.138025 (E_RNA)
where:
Base-Base interactions energy: -149.892
where: short stacking energy: -80.931
Base-Backbone interact. energy: -0.979
local terms energy: -87.267097
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -22.117
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: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -236.897484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.897484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.921624 (E_RNA)
where:
Base-Base interactions energy: -154.431
where: short stacking energy: -83.129
Base-Backbone interact. energy: -0.070
local terms energy: -82.420034
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -22.020
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: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -195.670596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.670596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.733297 (E_RNA)
where:
Base-Base interactions energy: -122.308
where: short stacking energy: -60.825
Base-Backbone interact. energy: -1.032
local terms energy: -72.394042
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -11.226
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: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -203.350528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.350528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.758593 (E_RNA)
where:
Base-Base interactions energy: -128.652
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.016
local terms energy: -76.089872
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 1.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -180.928802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.928802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.120831 (E_RNA)
where:
Base-Base interactions energy: -109.345
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.139
local terms energy: -71.635939
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -10.389
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: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -180.112949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.112949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.169532 (E_RNA)
where:
Base-Base interactions energy: -109.649
where: short stacking energy: -68.752
Base-Backbone interact. energy: -0.740
local terms energy: -69.780659
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -16.155
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: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -164.038982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.038982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.052209 (E_RNA)
where:
Base-Base interactions energy: -105.259
where: short stacking energy: -59.557
Base-Backbone interact. energy: -0.071
local terms energy: -58.722459
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -12.213
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: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -188.865899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.865899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988449 (E_RNA)
where:
Base-Base interactions energy: -116.766
where: short stacking energy: -64.301
Base-Backbone interact. energy: -0.540
local terms energy: -71.681852
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -20.400
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: 400
Temperature: 1.350000
Total energy: -147.624107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.624107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.652629 (E_RNA)
where:
Base-Base interactions energy: -87.329
where: short stacking energy: -50.539
Base-Backbone interact. energy: -0.720
local terms energy: -59.603839
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -16.053
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: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -240.319106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.319106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.410588 (E_RNA)
where:
Base-Base interactions energy: -159.103
where: short stacking energy: -84.630
Base-Backbone interact. energy: -0.239
local terms energy: -81.068164
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -22.315
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: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -245.156037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.156037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.189314 (E_RNA)
where:
Base-Base interactions energy: -160.390
where: short stacking energy: -89.671
Base-Backbone interact. energy: -0.000
local terms energy: -84.798745
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -23.508
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: 401
Temperature: 1.000000
Total energy: -233.492883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.492883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.584499 (E_RNA)
where:
Base-Base interactions energy: -155.545
where: short stacking energy: -89.512
Base-Backbone interact. energy: -0.718
local terms energy: -77.321439
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -22.328
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: 4
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -207.895130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.895130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.007939 (E_RNA)
where:
Base-Base interactions energy: -129.714
where: short stacking energy: -67.271
Base-Backbone interact. energy: -0.045
local terms energy: -78.248139
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -193.747509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.747509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.648491 (E_RNA)
where:
Base-Base interactions energy: -122.913
where: short stacking energy: -71.101
Base-Backbone interact. energy: -0.008
local terms energy: -71.727332
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -193.929633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.929633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.226049 (E_RNA)
where:
Base-Base interactions energy: -123.217
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.019
local terms energy: -70.989465
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -18.673
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: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -161.755204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.755204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.049086 (E_RNA)
where:
Base-Base interactions energy: -96.097
where: short stacking energy: -58.164
Base-Backbone interact. energy: -0.084
local terms energy: -65.867915
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -18.581
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -158.992198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.992198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.099595 (E_RNA)
where:
Base-Base interactions energy: -94.379
where: short stacking energy: -49.820
Base-Backbone interact. energy: 0.893
local terms energy: -65.613537
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -11.904
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: 401
Temperature: 1.300000
Total energy: -168.875805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.875805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.014749 (E_RNA)
where:
Base-Base interactions energy: -106.661
where: short stacking energy: -61.879
Base-Backbone interact. energy: 0.048
local terms energy: -62.402105
where:
bonds (distance) C4'-P energy: -6.805
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -12.356
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: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -152.227134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.227134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.430646 (E_RNA)
where:
Base-Base interactions energy: -84.688
where: short stacking energy: -46.359
Base-Backbone interact. energy: -0.200
local terms energy: -67.542794
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -237.827124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.827124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.839948 (E_RNA)
where:
Base-Base interactions energy: -161.020
where: short stacking energy: -89.712
Base-Backbone interact. energy: -0.001
local terms energy: -76.819675
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -14.123
tors. eta vs tors. theta energy: -21.549
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: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -238.571042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.571042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.574831 (E_RNA)
where:
Base-Base interactions energy: -153.782
where: short stacking energy: -84.555
Base-Backbone interact. energy: -0.001
local terms energy: -84.792498
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -20.590
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: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -231.861661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.861661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.080886 (E_RNA)
where:
Base-Base interactions energy: -154.105
where: short stacking energy: -84.841
Base-Backbone interact. energy: -0.085
local terms energy: -77.890826
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -22.109
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: 4
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -224.938373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.938373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.903299 (E_RNA)
where:
Base-Base interactions energy: -151.597
where: short stacking energy: -77.194
Base-Backbone interact. energy: -0.177
local terms energy: -74.129367
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -22.266
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -180.469845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.469845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.524810 (E_RNA)
where:
Base-Base interactions energy: -109.633
where: short stacking energy: -66.019
Base-Backbone interact. energy: -0.712
local terms energy: -70.179603
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -16.670
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -201.013881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.013881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.349862 (E_RNA)
where:
Base-Base interactions energy: -128.111
where: short stacking energy: -71.686
Base-Backbone interact. energy: -0.087
local terms energy: -73.151728
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -17.197
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: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -182.304820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.304820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.309250 (E_RNA)
where:
Base-Base interactions energy: -116.900
where: short stacking energy: -58.748
Base-Backbone interact. energy: -0.212
local terms energy: -65.196747
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.275
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -14.540
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: 402
Temperature: 1.250000
Total energy: -143.387242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.387242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.544801 (E_RNA)
where:
Base-Base interactions energy: -95.102
where: short stacking energy: -51.052
Base-Backbone interact. energy: -0.348
local terms energy: -48.094799
where:
bonds (distance) C4'-P energy: -6.723
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -9.680
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: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -174.704593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.704593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.847992 (E_RNA)
where:
Base-Base interactions energy: -104.398
where: short stacking energy: -56.217
Base-Backbone interact. energy: -1.423
local terms energy: -69.026974
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -18.751
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -148.312887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.312887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.446029 (E_RNA)
where:
Base-Base interactions energy: -86.072
where: short stacking energy: -50.405
Base-Backbone interact. energy: -0.059
local terms energy: -62.315660
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -8.070
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -244.252586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.252586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.290113 (E_RNA)
where:
Base-Base interactions energy: -160.068
where: short stacking energy: -86.656
Base-Backbone interact. energy: -0.005
local terms energy: -84.216998
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -22.856
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: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -232.970216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.970216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.573601 (E_RNA)
where:
Base-Base interactions energy: -155.931
where: short stacking energy: -70.973
Base-Backbone interact. energy: -0.252
local terms energy: -77.391285
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.603 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -227.311330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.315384 (E_RNA)
where:
Base-Base interactions energy: -145.073
where: short stacking energy: -86.752
Base-Backbone interact. energy: -0.183
local terms energy: -82.059055
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -24.237
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: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -208.602959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.602959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.175006 (E_RNA)
where:
Base-Base interactions energy: -137.752
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.016
local terms energy: -71.406535
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.572 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -182.119304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.119304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.069440 (E_RNA)
where:
Base-Base interactions energy: -115.598
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.258
local terms energy: -67.213726
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -178.961626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.961626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.163025 (E_RNA)
where:
Base-Base interactions energy: -111.665
where: short stacking energy: -69.298
Base-Backbone interact. energy: -0.575
local terms energy: -66.922577
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -15.242
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: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -197.404467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.404467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.596850 (E_RNA)
where:
Base-Base interactions energy: -125.531
where: short stacking energy: -67.083
Base-Backbone interact. energy: -0.606
local terms energy: -71.459780
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -15.735
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: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -176.620680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.620680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.678059 (E_RNA)
where:
Base-Base interactions energy: -108.097
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.975
local terms energy: -67.606065
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -15.473
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: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -155.147277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.147277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.208982 (E_RNA)
where:
Base-Base interactions energy: -91.961
where: short stacking energy: -52.697
Base-Backbone interact. energy: -0.019
local terms energy: -63.228946
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -11.017
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: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -148.506421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.506421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.521233 (E_RNA)
where:
Base-Base interactions energy: -93.996
where: short stacking energy: -56.806
Base-Backbone interact. energy: -0.105
local terms energy: -54.420188
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -10.434
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: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -236.309266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.309266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.418043 (E_RNA)
where:
Base-Base interactions energy: -157.733
where: short stacking energy: -82.976
Base-Backbone interact. energy: -0.001
local terms energy: -78.683283
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -219.889647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.889647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.298609 (E_RNA)
where:
Base-Base interactions energy: -146.933
where: short stacking energy: -81.115
Base-Backbone interact. energy: -0.309
local terms energy: -74.056811
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 1.409 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -234.803205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.803205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.901443 (E_RNA)
where:
Base-Base interactions energy: -147.331
where: short stacking energy: -80.441
Base-Backbone interact. energy: -0.071
local terms energy: -87.500026
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -22.911
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: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -204.567160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.567160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.637603 (E_RNA)
where:
Base-Base interactions energy: -127.459
where: short stacking energy: -69.454
Base-Backbone interact. energy: -0.218
local terms energy: -76.960064
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -14.652
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: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -184.724474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.724474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.147257 (E_RNA)
where:
Base-Base interactions energy: -112.521
where: short stacking energy: -64.818
Base-Backbone interact. energy: -0.055
local terms energy: -72.571276
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -168.507326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.507326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.509708 (E_RNA)
where:
Base-Base interactions energy: -100.834
where: short stacking energy: -59.551
Base-Backbone interact. energy: -0.047
local terms energy: -67.628904
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -17.012
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -11.274
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: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -171.264282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.264282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.666216 (E_RNA)
where:
Base-Base interactions energy: -105.727
where: short stacking energy: -64.369
Base-Backbone interact. energy: -0.069
local terms energy: -65.870631
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -15.311
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: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -164.462057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.462057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.775535 (E_RNA)
where:
Base-Base interactions energy: -99.219
where: short stacking energy: -57.860
Base-Backbone interact. energy: -1.460
local terms energy: -64.095828
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -13.387
Dist. restrs. and SS energy: 0.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -160.611420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.611420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.726328 (E_RNA)
where:
Base-Base interactions energy: -103.119
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.099
local terms energy: -57.508569
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -12.117
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: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -149.368931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.368931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.430957 (E_RNA)
where:
Base-Base interactions energy: -90.668
where: short stacking energy: -53.497
Base-Backbone interact. energy: -0.310
local terms energy: -58.452460
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -7.646
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: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -218.004888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.004888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.060118 (E_RNA)
where:
Base-Base interactions energy: -141.214
where: short stacking energy: -69.646
Base-Backbone interact. energy: -0.633
local terms energy: -76.213207
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -19.401
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: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -235.895711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.895711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.895711 (E_RNA)
where:
Base-Base interactions energy: -150.423
where: short stacking energy: -79.195
Base-Backbone interact. energy: -0.044
local terms energy: -85.428863
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -21.507
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: 3, replica: 7
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -213.530960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.530960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.303728 (E_RNA)
where:
Base-Base interactions energy: -139.651
where: short stacking energy: -66.100
Base-Backbone interact. energy: -0.736
local terms energy: -74.916613
where:
bonds (distance) C4'-P energy: -14.445
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -18.080
Dist. restrs. and SS energy: 1.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -187.055557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.055557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.187977 (E_RNA)
where:
Base-Base interactions energy: -114.526
where: short stacking energy: -73.477
Base-Backbone interact. energy: -1.455
local terms energy: -71.206765
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -16.867
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: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -182.504419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.504419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.460669 (E_RNA)
where:
Base-Base interactions energy: -109.873
where: short stacking energy: -61.699
Base-Backbone interact. energy: -0.013
local terms energy: -73.574341
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -180.735211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.735211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.925978 (E_RNA)
where:
Base-Base interactions energy: -111.017
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.223
local terms energy: -69.686084
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -165.743668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.743668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.028910 (E_RNA)
where:
Base-Base interactions energy: -98.169
where: short stacking energy: -53.364
Base-Backbone interact. energy: 0.690
local terms energy: -68.550182
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -10.942
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: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -161.034306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.034306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.471428 (E_RNA)
where:
Base-Base interactions energy: -104.663
where: short stacking energy: -60.264
Base-Backbone interact. energy: -0.912
local terms energy: -55.896861
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -10.676
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -16.410
Dist. restrs. and SS energy: 0.437 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -151.440870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.440870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.588146 (E_RNA)
where:
Base-Base interactions energy: -96.764
where: short stacking energy: -54.911
Base-Backbone interact. energy: -0.023
local terms energy: -55.801396
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 1.147 (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: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -151.976862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.976862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.187071 (E_RNA)
where:
Base-Base interactions energy: -101.958
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.132
local terms energy: -50.096959
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -10.796
Dist. restrs. and SS energy: 0.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -224.656436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.656436 (E_RNA)
where:
Base-Base interactions energy: -148.210
where: short stacking energy: -84.572
Base-Backbone interact. energy: -0.636
local terms energy: -75.810127
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -20.164
Dist. restrs. and SS energy: -0.000 (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: 406
Temperature: 0.950000
Total energy: -226.427851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.427851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.872232 (E_RNA)
where:
Base-Base interactions energy: -152.495
where: short stacking energy: -80.555
Base-Backbone interact. energy: -0.001
local terms energy: -74.376378
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -18.202
Dist. restrs. and SS energy: 0.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -226.630556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.630556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.142193 (E_RNA)
where:
Base-Base interactions energy: -153.529
where: short stacking energy: -75.886
Base-Backbone interact. energy: -0.752
local terms energy: -73.861129
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -18.140
Dist. restrs. and SS energy: 1.512 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -180.214977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.214977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.218700 (E_RNA)
where:
Base-Base interactions energy: -117.033
where: short stacking energy: -59.888
Base-Backbone interact. energy: -1.417
local terms energy: -61.768583
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -5.423
tors. eta vs tors. theta energy: -11.939
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: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -182.035990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.035990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.499700 (E_RNA)
where:
Base-Base interactions energy: -113.385
where: short stacking energy: -61.925
Base-Backbone interact. energy: -0.047
local terms energy: -69.068110
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -173.556686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.556686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.773418 (E_RNA)
where:
Base-Base interactions energy: -99.683
where: short stacking energy: -60.895
Base-Backbone interact. energy: -0.001
local terms energy: -74.089367
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.318
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: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -179.083971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.083971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.083971 (E_RNA)
where:
Base-Base interactions energy: -108.593
where: short stacking energy: -69.339
Base-Backbone interact. energy: -0.240
local terms energy: -70.251485
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (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: -161.619624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.619624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.769222 (E_RNA)
where:
Base-Base interactions energy: -98.247
where: short stacking energy: -54.054
Base-Backbone interact. energy: 1.025
local terms energy: -64.548065
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -8.165
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: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -157.696734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.696734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.929715 (E_RNA)
where:
Base-Base interactions energy: -94.126
where: short stacking energy: -45.229
Base-Backbone interact. energy: -0.035
local terms energy: -63.769050
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -7.655
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -9.503
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: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -160.607866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.607866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.813187 (E_RNA)
where:
Base-Base interactions energy: -97.940
where: short stacking energy: -54.194
Base-Backbone interact. energy: -0.463
local terms energy: -62.410502
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -8.934
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -15.830
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -225.382394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.382394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.258515 (E_RNA)
where:
Base-Base interactions energy: -149.729
where: short stacking energy: -76.897
Base-Backbone interact. energy: -0.234
local terms energy: -76.295296
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -18.643
Dist. restrs. and SS energy: 0.876 (S_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: 407
Temperature: 0.950000
Total energy: -233.532234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.532234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.026319 (E_RNA)
where:
Base-Base interactions energy: -151.739
where: short stacking energy: -79.870
Base-Backbone interact. energy: 0.929
local terms energy: -83.216351
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -220.326997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.326997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.660627 (E_RNA)
where:
Base-Base interactions energy: -146.827
where: short stacking energy: -76.108
Base-Backbone interact. energy: -0.182
local terms energy: -74.651335
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -17.719
Dist. restrs. and SS energy: 1.334 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -189.023918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.023918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.063148 (E_RNA)
where:
Base-Base interactions energy: -118.031
where: short stacking energy: -69.554
Base-Backbone interact. energy: 1.167
local terms energy: -72.198367
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -13.718
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: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -173.137277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.137277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.137277 (E_RNA)
where:
Base-Base interactions energy: -105.608
where: short stacking energy: -54.638
Base-Backbone interact. energy: -0.840
local terms energy: -66.689611
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -10.063
Dist. restrs. and SS energy: -0.000 (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: 407
Temperature: 1.150000
Total energy: -181.283924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.283924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364173 (E_RNA)
where:
Base-Base interactions energy: -114.238
where: short stacking energy: -58.097
Base-Backbone interact. energy: -0.124
local terms energy: -67.001939
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -10.835
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: 407
Temperature: 1.200000
Total energy: -165.260234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.260234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.415605 (E_RNA)
where:
Base-Base interactions energy: -103.826
where: short stacking energy: -59.692
Base-Backbone interact. energy: -0.905
local terms energy: -60.684458
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -15.990
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: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -154.588934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.588934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.687217 (E_RNA)
where:
Base-Base interactions energy: -101.100
where: short stacking energy: -54.124
Base-Backbone interact. energy: 0.476
local terms energy: -54.063315
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -9.072
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: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -146.714674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.714674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.841501 (E_RNA)
where:
Base-Base interactions energy: -90.963
where: short stacking energy: -51.262
Base-Backbone interact. energy: -0.532
local terms energy: -55.346595
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -8.277
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: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -151.450507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.450507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.330380 (E_RNA)
where:
Base-Base interactions energy: -89.884
where: short stacking energy: -45.159
Base-Backbone interact. energy: -0.113
local terms energy: -62.333428
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.880 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -233.919807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.919807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.853977 (E_RNA)
where:
Base-Base interactions energy: -153.228
where: short stacking energy: -75.495
Base-Backbone interact. energy: 0.088
local terms energy: -81.713057
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -208.083840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.083840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.087025 (E_RNA)
where:
Base-Base interactions energy: -127.409
where: short stacking energy: -70.613
Base-Backbone interact. energy: -0.014
local terms energy: -80.664845
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -20.440
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: 408
Temperature: 1.000000
Total energy: -221.061071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.061071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.061071 (E_RNA)
where:
Base-Base interactions energy: -140.658
where: short stacking energy: -87.252
Base-Backbone interact. energy: -0.004
local terms energy: -80.399447
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: -0.000 (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: 408
Temperature: 1.050000
Total energy: -190.417524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.417524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.494712 (E_RNA)
where:
Base-Base interactions energy: -113.042
where: short stacking energy: -57.178
Base-Backbone interact. energy: -0.282
local terms energy: -78.170598
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 1.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -174.156793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.156793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.307184 (E_RNA)
where:
Base-Base interactions energy: -106.452
where: short stacking energy: -59.079
Base-Backbone interact. energy: -0.096
local terms energy: -67.758938
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -11.427
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -181.217200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.217200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.249680 (E_RNA)
where:
Base-Base interactions energy: -118.824
where: short stacking energy: -59.533
Base-Backbone interact. energy: -0.196
local terms energy: -62.230092
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -13.328
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: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -157.111282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.111282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.275032 (E_RNA)
where:
Base-Base interactions energy: -96.639
where: short stacking energy: -56.167
Base-Backbone interact. energy: 0.387
local terms energy: -61.022892
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -155.488140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.488140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.488140 (E_RNA)
where:
Base-Base interactions energy: -92.267
where: short stacking energy: -48.234
Base-Backbone interact. energy: -0.134
local terms energy: -63.086848
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: -0.000 (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: 408
Temperature: 1.300000
Total energy: -163.086011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.086011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.220715 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -57.179
Base-Backbone interact. energy: -0.185
local terms energy: -61.896775
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -9.930
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: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -152.128938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.128938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.739028 (E_RNA)
where:
Base-Base interactions energy: -100.488
where: short stacking energy: -51.735
Base-Backbone interact. energy: -0.188
local terms energy: -52.063101
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: 0.439
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -233.646475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.646475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.694030 (E_RNA)
where:
Base-Base interactions energy: -155.810
where: short stacking energy: -78.443
Base-Backbone interact. energy: -0.576
local terms energy: -77.307455
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -21.909
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: 409
Temperature: 0.950000
Total energy: -230.019550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.019550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.560716 (E_RNA)
where:
Base-Base interactions energy: -149.757
where: short stacking energy: -76.271
Base-Backbone interact. energy: -0.035
local terms energy: -80.768323
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -19.342
Dist. restrs. and SS energy: 0.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -205.184311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.184311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.061317 (E_RNA)
where:
Base-Base interactions energy: -134.267
where: short stacking energy: -71.892
Base-Backbone interact. energy: -0.307
local terms energy: -71.486855
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -201.776126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.776126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.019157 (E_RNA)
where:
Base-Base interactions energy: -124.080
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.010
local terms energy: -78.928971
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -18.626
Dist. restrs. and SS energy: 1.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -169.502950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.502950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.515412 (E_RNA)
where:
Base-Base interactions energy: -103.633
where: short stacking energy: -59.545
Base-Backbone interact. energy: 0.676
local terms energy: -66.558380
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -11.745
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: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -169.148132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.148132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.175886 (E_RNA)
where:
Base-Base interactions energy: -105.651
where: short stacking energy: -61.298
Base-Backbone interact. energy: -1.573
local terms energy: -61.951019
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -12.257
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: 409
Temperature: 1.200000
Total energy: -172.703799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.703799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.745127 (E_RNA)
where:
Base-Base interactions energy: -104.658
where: short stacking energy: -63.186
Base-Backbone interact. energy: 0.021
local terms energy: -68.107520
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -12.834
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: 5
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -156.975185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.975185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.085757 (E_RNA)
where:
Base-Base interactions energy: -99.976
where: short stacking energy: -52.036
Base-Backbone interact. energy: -0.771
local terms energy: -56.338703
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -10.808
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: 409
Temperature: 1.300000
Total energy: -149.262747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.262747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.725244 (E_RNA)
where:
Base-Base interactions energy: -89.250
where: short stacking energy: -44.339
Base-Backbone interact. energy: 0.654
local terms energy: -61.129534
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -9.401
Dist. restrs. and SS energy: 0.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -157.291693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.291693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.529584 (E_RNA)
where:
Base-Base interactions energy: -92.124
where: short stacking energy: -57.596
Base-Backbone interact. energy: -0.031
local terms energy: -65.374221
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.282
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -236.128003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.128003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.896341 (E_RNA)
where:
Base-Base interactions energy: -151.212
where: short stacking energy: -81.196
Base-Backbone interact. energy: -0.002
local terms energy: -85.682638
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -22.443
Dist. restrs. and SS energy: 0.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -222.601288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.601288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.730951 (E_RNA)
where:
Base-Base interactions energy: -144.095
where: short stacking energy: -72.974
Base-Backbone interact. energy: -0.001
local terms energy: -79.635062
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 1.130 (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: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -210.487629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.487629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.063791 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -71.465
Base-Backbone interact. energy: -0.520
local terms energy: -80.160873
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -20.567
Dist. restrs. and SS energy: 2.576 (S_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: 410
Temperature: 1.050000
Total energy: -195.648581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.648581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.550120 (E_RNA)
where:
Base-Base interactions energy: -130.508
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.033
local terms energy: -66.008878
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.902 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -175.557415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.557415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.766711 (E_RNA)
where:
Base-Base interactions energy: -109.742
where: short stacking energy: -58.478
Base-Backbone interact. energy: 1.340
local terms energy: -67.364434
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -176.382438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.382438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.768864 (E_RNA)
where:
Base-Base interactions energy: -106.769
where: short stacking energy: -74.603
Base-Backbone interact. energy: -0.230
local terms energy: -69.769743
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -15.667
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: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -172.612975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.612975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.694702 (E_RNA)
where:
Base-Base interactions energy: -106.362
where: short stacking energy: -57.931
Base-Backbone interact. energy: 0.058
local terms energy: -66.391094
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -162.437086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.437086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.619859 (E_RNA)
where:
Base-Base interactions energy: -101.372
where: short stacking energy: -62.004
Base-Backbone interact. energy: -0.007
local terms energy: -61.241005
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -162.367086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.367086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.743177 (E_RNA)
where:
Base-Base interactions energy: -95.643
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.003
local terms energy: -69.097355
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 2.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -139.178430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.178430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.320434 (E_RNA)
where:
Base-Base interactions energy: -92.373
where: short stacking energy: -47.652
Base-Backbone interact. energy: 3.058
local terms energy: -52.005024
where:
bonds (distance) C4'-P energy: -10.887
bonds (distance) P-C4' energy: -6.862
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 2.142 (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: 10
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -237.376593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.376593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.403053 (E_RNA)
where:
Base-Base interactions energy: -151.311
where: short stacking energy: -82.259
Base-Backbone interact. energy: -0.022
local terms energy: -86.069729
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -20.912
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: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -228.945911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.945911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.947062 (E_RNA)
where:
Base-Base interactions energy: -148.131
where: short stacking energy: -81.284
Base-Backbone interact. energy: -0.105
local terms energy: -81.710872
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 1.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -227.186379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.186379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.438106 (E_RNA)
where:
Base-Base interactions energy: -148.737
where: short stacking energy: -81.250
Base-Backbone interact. energy: -0.152
local terms energy: -79.549066
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -20.391
Dist. restrs. and SS energy: 1.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -181.817394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.817394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.034748 (E_RNA)
where:
Base-Base interactions energy: -109.722
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.261
local terms energy: -72.052406
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -12.015
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: 4
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -200.227143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.227143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.666959 (E_RNA)
where:
Base-Base interactions energy: -131.408
where: short stacking energy: -70.103
Base-Backbone interact. energy: -0.321
local terms energy: -68.938135
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -181.133640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.133640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.600033 (E_RNA)
where:
Base-Base interactions energy: -108.888
where: short stacking energy: -61.096
Base-Backbone interact. energy: -0.075
local terms energy: -72.637118
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -14.914
Dist. restrs. and SS energy: 0.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -157.582013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.582013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.603377 (E_RNA)
where:
Base-Base interactions energy: -90.896
where: short stacking energy: -44.063
Base-Backbone interact. energy: 1.025
local terms energy: -67.732917
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -7.991
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: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -177.747870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.747870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.817789 (E_RNA)
where:
Base-Base interactions energy: -115.691
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.010
local terms energy: -62.117124
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -10.174
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -16.830
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: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -161.554553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.554553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.669081 (E_RNA)
where:
Base-Base interactions energy: -97.048
where: short stacking energy: -50.781
Base-Backbone interact. energy: -0.166
local terms energy: -64.455245
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -12.016
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: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -147.135148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.135148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.184216 (E_RNA)
where:
Base-Base interactions energy: -91.453
where: short stacking energy: -47.839
Base-Backbone interact. energy: -0.051
local terms energy: -55.680531
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -8.908
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: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -237.949044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.949044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.226448 (E_RNA)
where:
Base-Base interactions energy: -158.867
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.306
local terms energy: -80.052919
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -232.270675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.270675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.270675 (E_RNA)
where:
Base-Base interactions energy: -147.947
where: short stacking energy: -69.825
Base-Backbone interact. energy: -0.986
local terms energy: -83.337465
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -15.477
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: -0.000 (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: 412
Temperature: 1.000000
Total energy: -224.054874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.054874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.485651 (E_RNA)
where:
Base-Base interactions energy: -145.166
where: short stacking energy: -71.587
Base-Backbone interact. energy: -0.000
local terms energy: -79.319493
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -177.233778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.233778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.808595 (E_RNA)
where:
Base-Base interactions energy: -106.136
where: short stacking energy: -69.015
Base-Backbone interact. energy: -0.674
local terms energy: -70.997973
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -15.167
Dist. restrs. and SS energy: 0.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -184.772474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.772474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.208076 (E_RNA)
where:
Base-Base interactions energy: -107.996
where: short stacking energy: -65.634
Base-Backbone interact. energy: -2.507
local terms energy: -74.705729
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -14.217
Dist. restrs. and SS energy: 0.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -206.405148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.405148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.961233 (E_RNA)
where:
Base-Base interactions energy: -136.425
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.001
local terms energy: -70.535901
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -166.463854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.463854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.744509 (E_RNA)
where:
Base-Base interactions energy: -102.821
where: short stacking energy: -60.963
Base-Backbone interact. energy: -0.038
local terms energy: -63.885894
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -144.895322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.895322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.971303 (E_RNA)
where:
Base-Base interactions energy: -83.932
where: short stacking energy: -46.900
Base-Backbone interact. energy: -0.189
local terms energy: -60.850274
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -11.854
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: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -144.124735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.124735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.133426 (E_RNA)
where:
Base-Base interactions energy: -86.703
where: short stacking energy: -39.591
Base-Backbone interact. energy: -0.393
local terms energy: -57.036858
where:
bonds (distance) C4'-P energy: -12.072
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -4.951
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: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -149.643937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.643937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.902528 (E_RNA)
where:
Base-Base interactions energy: -86.228
where: short stacking energy: -51.102
Base-Backbone interact. energy: 3.211
local terms energy: -66.884844
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.259 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -240.043850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.043850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.597061 (E_RNA)
where:
Base-Base interactions energy: -159.163
where: short stacking energy: -82.465
Base-Backbone interact. energy: -0.007
local terms energy: -82.427301
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 1.553 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -237.612578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.612578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.682263 (E_RNA)
where:
Base-Base interactions energy: -154.785
where: short stacking energy: -88.284
Base-Backbone interact. energy: 0.206
local terms energy: -83.103290
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -23.490
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: 7
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -218.152661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.152661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.468484 (E_RNA)
where:
Base-Base interactions energy: -134.223
where: short stacking energy: -75.269
Base-Backbone interact. energy: -1.532
local terms energy: -84.714051
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 2.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -188.056504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.056504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.230846 (E_RNA)
where:
Base-Base interactions energy: -116.989
where: short stacking energy: -76.826
Base-Backbone interact. energy: -0.054
local terms energy: -71.188029
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -190.493571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.493571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.563408 (E_RNA)
where:
Base-Base interactions energy: -112.459
where: short stacking energy: -73.750
Base-Backbone interact. energy: -0.010
local terms energy: -78.094702
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -17.484
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: 413
Temperature: 1.150000
Total energy: -190.206713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.206713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.776638 (E_RNA)
where:
Base-Base interactions energy: -120.611
where: short stacking energy: -63.080
Base-Backbone interact. energy: -0.143
local terms energy: -70.023046
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.570 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -157.666839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.666839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.685351 (E_RNA)
where:
Base-Base interactions energy: -91.988
where: short stacking energy: -49.163
Base-Backbone interact. energy: -0.112
local terms energy: -65.585346
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -9.716
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: 413
Temperature: 1.250000
Total energy: -152.998069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.998069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.114095 (E_RNA)
where:
Base-Base interactions energy: -96.994
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.414
local terms energy: -55.706082
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -150.309984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.309984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.422155 (E_RNA)
where:
Base-Base interactions energy: -92.870
where: short stacking energy: -46.885
Base-Backbone interact. energy: 0.294
local terms energy: -57.845989
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -9.229
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -11.656
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: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -150.971690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.971690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.105430 (E_RNA)
where:
Base-Base interactions energy: -87.648
where: short stacking energy: -43.536
Base-Backbone interact. energy: -0.003
local terms energy: -63.454577
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -5.047
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -233.206170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.206170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.619497 (E_RNA)
where:
Base-Base interactions energy: -148.890
where: short stacking energy: -82.850
Base-Backbone interact. energy: -0.156
local terms energy: -85.573673
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 1.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -240.302618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.302618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.342828 (E_RNA)
where:
Base-Base interactions energy: -160.402
where: short stacking energy: -92.472
Base-Backbone interact. energy: -0.020
local terms energy: -79.920829
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -20.877
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: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -200.857717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.857717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.870996 (E_RNA)
where:
Base-Base interactions energy: -124.159
where: short stacking energy: -62.814
Base-Backbone interact. energy: -1.366
local terms energy: -75.345688
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -17.907
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: 7
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -195.022495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.022495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.791279 (E_RNA)
where:
Base-Base interactions energy: -140.376
where: short stacking energy: -67.951
Base-Backbone interact. energy: -0.936
local terms energy: -54.479248
where:
bonds (distance) C4'-P energy: -5.205
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.769 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -182.546446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.546446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.599026 (E_RNA)
where:
Base-Base interactions energy: -119.797
where: short stacking energy: -50.281
Base-Backbone interact. energy: -0.641
local terms energy: -62.161086
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -3.541
tors. eta vs tors. theta energy: -10.828
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: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -185.791548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.791548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.288718 (E_RNA)
where:
Base-Base interactions energy: -110.894
where: short stacking energy: -68.514
Base-Backbone interact. energy: -0.592
local terms energy: -74.802787
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.497 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -178.379511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.379511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.993500 (E_RNA)
where:
Base-Base interactions energy: -109.621
where: short stacking energy: -58.291
Base-Backbone interact. energy: 0.195
local terms energy: -69.568073
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -163.110659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.110659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.845393 (E_RNA)
where:
Base-Base interactions energy: -106.657
where: short stacking energy: -59.680
Base-Backbone interact. energy: -0.022
local terms energy: -58.166137
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 1.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -158.976548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.976548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.560411 (E_RNA)
where:
Base-Base interactions energy: -92.652
where: short stacking energy: -46.539
Base-Backbone interact. energy: -0.280
local terms energy: -66.629201
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -9.214
Dist. restrs. and SS energy: 0.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -153.319519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.319519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.383787 (E_RNA)
where:
Base-Base interactions energy: -90.927
where: short stacking energy: -51.784
Base-Backbone interact. energy: -0.183
local terms energy: -62.274493
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -12.935
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: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -228.856706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.856706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.762833 (E_RNA)
where:
Base-Base interactions energy: -156.873
where: short stacking energy: -84.698
Base-Backbone interact. energy: -0.145
local terms energy: -72.744919
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -238.298745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.298745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.343796 (E_RNA)
where:
Base-Base interactions energy: -163.454
where: short stacking energy: -93.373
Base-Backbone interact. energy: -0.008
local terms energy: -74.882280
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -8.922
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -190.613527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.613527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.718298 (E_RNA)
where:
Base-Base interactions energy: -111.640
where: short stacking energy: -64.632
Base-Backbone interact. energy: -0.598
local terms energy: -78.479917
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -15.650
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: 7
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -193.004228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.004228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.048929 (E_RNA)
where:
Base-Base interactions energy: -121.822
where: short stacking energy: -71.574
Base-Backbone interact. energy: -0.054
local terms energy: -72.172930
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 1.045 (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: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -180.202149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.202149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.479551 (E_RNA)
where:
Base-Base interactions energy: -104.565
where: short stacking energy: -61.851
Base-Backbone interact. energy: -0.047
local terms energy: -75.867769
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -200.261957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.261957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.288933 (E_RNA)
where:
Base-Base interactions energy: -125.890
where: short stacking energy: -71.451
Base-Backbone interact. energy: -0.001
local terms energy: -74.398458
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -22.873
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: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -173.791012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.791012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.870109 (E_RNA)
where:
Base-Base interactions energy: -106.346
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.954
local terms energy: -66.570507
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -14.246
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: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -155.074431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.074431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.083641 (E_RNA)
where:
Base-Base interactions energy: -90.923
where: short stacking energy: -46.380
Base-Backbone interact. energy: 1.227
local terms energy: -65.388199
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -6.542
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: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -149.734244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.734244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.844395 (E_RNA)
where:
Base-Base interactions energy: -94.497
where: short stacking energy: -41.689
Base-Backbone interact. energy: -1.028
local terms energy: -54.319338
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -2.908
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: 5
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -148.577707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.577707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.193613 (E_RNA)
where:
Base-Base interactions energy: -93.635
where: short stacking energy: -50.044
Base-Backbone interact. energy: -0.057
local terms energy: -56.501787
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -7.345
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 1.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -231.834664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.834664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.111588 (E_RNA)
where:
Base-Base interactions energy: -155.524
where: short stacking energy: -76.727
Base-Backbone interact. energy: -0.084
local terms energy: -77.503558
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -14.529
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 1.277 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -235.706742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.706742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.591706 (E_RNA)
where:
Base-Base interactions energy: -150.232
where: short stacking energy: -81.970
Base-Backbone interact. energy: -0.009
local terms energy: -87.350309
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -18.418
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 1.885 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -211.312985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.312985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.317974 (E_RNA)
where:
Base-Base interactions energy: -129.638
where: short stacking energy: -71.345
Base-Backbone interact. energy: -2.039
local terms energy: -79.640309
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -190.512798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.512798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.556680 (E_RNA)
where:
Base-Base interactions energy: -112.887
where: short stacking energy: -60.043
Base-Backbone interact. energy: -1.145
local terms energy: -76.524852
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -16.300
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: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -185.503038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.503038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.589817 (E_RNA)
where:
Base-Base interactions energy: -115.943
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.446
local terms energy: -69.201486
where:
bonds (distance) C4'-P energy: -14.825
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -16.645
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -174.166189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.166189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.525731 (E_RNA)
where:
Base-Base interactions energy: -109.750
where: short stacking energy: -68.384
Base-Backbone interact. energy: -0.102
local terms energy: -64.674120
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -3.907
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -166.006049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.006049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.019816 (E_RNA)
where:
Base-Base interactions energy: -98.551
where: short stacking energy: -56.289
Base-Backbone interact. energy: -0.613
local terms energy: -66.855307
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -11.692
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: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -160.462715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.462715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.640397 (E_RNA)
where:
Base-Base interactions energy: -99.070
where: short stacking energy: -47.906
Base-Backbone interact. energy: 0.032
local terms energy: -61.602264
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -15.114
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: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -165.627160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.627160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.679959 (E_RNA)
where:
Base-Base interactions energy: -93.066
where: short stacking energy: -55.107
Base-Backbone interact. energy: -0.765
local terms energy: -71.849655
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -15.022
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: 416
Temperature: 1.350000
Total energy: -155.122433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.122433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.192344 (E_RNA)
where:
Base-Base interactions energy: -102.766
where: short stacking energy: -58.468
Base-Backbone interact. energy: 0.313
local terms energy: -52.740049
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -12.935
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: 417
Temperature: 0.900000
Total energy: -212.208011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.208011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.535002 (E_RNA)
where:
Base-Base interactions energy: -135.670
where: short stacking energy: -68.636
Base-Backbone interact. energy: -0.594
local terms energy: -78.271265
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -14.446
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 2.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -223.342745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.342745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.403060 (E_RNA)
where:
Base-Base interactions energy: -148.548
where: short stacking energy: -78.078
Base-Backbone interact. energy: -1.201
local terms energy: -74.654471
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 1.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -236.871830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.871830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.128169 (E_RNA)
where:
Base-Base interactions energy: -150.698
where: short stacking energy: -82.227
Base-Backbone interact. energy: -0.017
local terms energy: -86.412708
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -24.815
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: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -181.790678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.790678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.567413 (E_RNA)
where:
Base-Base interactions energy: -118.503
where: short stacking energy: -64.794
Base-Backbone interact. energy: -0.085
local terms energy: -64.978427
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 1.777 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -215.259362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.259362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.369574 (E_RNA)
where:
Base-Base interactions energy: -139.534
where: short stacking energy: -74.693
Base-Backbone interact. energy: -1.047
local terms energy: -74.788565
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -21.705
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: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -183.746873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.746873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.205894 (E_RNA)
where:
Base-Base interactions energy: -115.537
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.475
local terms energy: -68.193511
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -13.992
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: 7, replica: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -180.801737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.801737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.582247 (E_RNA)
where:
Base-Base interactions energy: -118.133
where: short stacking energy: -57.771
Base-Backbone interact. energy: -0.684
local terms energy: -62.764584
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -3.002
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 0.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -163.587227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.587227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.651676 (E_RNA)
where:
Base-Base interactions energy: -110.003
where: short stacking energy: -63.955
Base-Backbone interact. energy: -0.038
local terms energy: -53.610104
where:
bonds (distance) C4'-P energy: -11.770
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -13.119
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: 417
Temperature: 1.300000
Total energy: -160.298030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.298030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.325789 (E_RNA)
where:
Base-Base interactions energy: -102.823
where: short stacking energy: -46.483
Base-Backbone interact. energy: -0.043
local terms energy: -58.460082
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 1.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -150.255103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.255103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.255103 (E_RNA)
where:
Base-Base interactions energy: -95.550
where: short stacking energy: -53.937
Base-Backbone interact. energy: -0.192
local terms energy: -54.513592
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -12.306
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: 1, replica: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -241.059280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.059280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.272084 (E_RNA)
where:
Base-Base interactions energy: -159.529
where: short stacking energy: -80.520
Base-Backbone interact. energy: -0.289
local terms energy: -82.454491
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 1.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -209.030137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.030137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.523737 (E_RNA)
where:
Base-Base interactions energy: -133.816
where: short stacking energy: -77.879
Base-Backbone interact. energy: -0.292
local terms energy: -75.416078
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.494 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -220.342101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.342101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.342904 (E_RNA)
where:
Base-Base interactions energy: -142.430
where: short stacking energy: -82.945
Base-Backbone interact. energy: -0.179
local terms energy: -77.734701
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -21.854
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: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -220.145619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.145619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.145619 (E_RNA)
where:
Base-Base interactions energy: -138.039
where: short stacking energy: -75.109
Base-Backbone interact. energy: -0.044
local terms energy: -82.062463
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -21.397
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: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -174.584672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.584672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.673423 (E_RNA)
where:
Base-Base interactions energy: -108.663
where: short stacking energy: -66.909
Base-Backbone interact. energy: -0.160
local terms energy: -65.850803
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -11.327
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: 418
Temperature: 1.150000
Total energy: -177.697909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.697909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.786752 (E_RNA)
where:
Base-Base interactions energy: -112.380
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.127
local terms energy: -65.279500
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -6.990
tors. eta vs tors. theta energy: -16.111
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -190.313660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.313660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.403845 (E_RNA)
where:
Base-Base interactions energy: -119.328
where: short stacking energy: -58.216
Base-Backbone interact. energy: -0.434
local terms energy: -71.641961
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 1.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -150.698929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.698929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.761223 (E_RNA)
where:
Base-Base interactions energy: -92.601
where: short stacking energy: -53.317
Base-Backbone interact. energy: -0.118
local terms energy: -58.042252
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -9.307
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: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -158.506124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.506124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.672479 (E_RNA)
where:
Base-Base interactions energy: -103.260
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.130
local terms energy: -55.282292
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -12.152
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: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -161.072772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.072772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.095429 (E_RNA)
where:
Base-Base interactions energy: -108.945
where: short stacking energy: -62.630
Base-Backbone interact. energy: -0.118
local terms energy: -52.032570
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -7.087
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: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -211.588071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.588071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.131118 (E_RNA)
where:
Base-Base interactions energy: -134.549
where: short stacking energy: -78.210
Base-Backbone interact. energy: -0.000
local terms energy: -77.581559
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -19.672
Dist. restrs. and SS energy: 0.543 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -220.831774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.831774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.557108 (E_RNA)
where:
Base-Base interactions energy: -139.106
where: short stacking energy: -78.306
Base-Backbone interact. energy: -0.011
local terms energy: -82.439689
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -17.953
Dist. restrs. and SS energy: 0.725 (S_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: -212.922168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.922168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.062476 (E_RNA)
where:
Base-Base interactions energy: -137.620
where: short stacking energy: -62.623
Base-Backbone interact. energy: -0.414
local terms energy: -75.028762
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -194.159152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.159152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.197821 (E_RNA)
where:
Base-Base interactions energy: -120.276
where: short stacking energy: -75.545
Base-Backbone interact. energy: -0.000
local terms energy: -73.921421
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -17.214
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: 419
Temperature: 1.100000
Total energy: -189.388506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.388506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.403016 (E_RNA)
where:
Base-Base interactions energy: -119.273
where: short stacking energy: -68.941
Base-Backbone interact. energy: 0.614
local terms energy: -70.744089
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -20.809
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: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -174.421261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.421261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.540494 (E_RNA)
where:
Base-Base interactions energy: -103.729
where: short stacking energy: -53.498
Base-Backbone interact. energy: 0.695
local terms energy: -71.505750
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -12.476
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: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -192.765074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.765074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.009502 (E_RNA)
where:
Base-Base interactions energy: -122.674
where: short stacking energy: -72.488
Base-Backbone interact. energy: -0.075
local terms energy: -70.260658
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -162.639703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.639703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.744430 (E_RNA)
where:
Base-Base interactions energy: -101.890
where: short stacking energy: -62.341
Base-Backbone interact. energy: -0.279
local terms energy: -60.575327
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -10.389
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: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -156.637027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.637027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.662086 (E_RNA)
where:
Base-Base interactions energy: -101.894
where: short stacking energy: -52.835
Base-Backbone interact. energy: 0.027
local terms energy: -54.794757
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -9.841
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: 419
Temperature: 1.350000
Total energy: -147.136877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.136877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.301040 (E_RNA)
where:
Base-Base interactions energy: -90.347
where: short stacking energy: -53.618
Base-Backbone interact. energy: -0.786
local terms energy: -57.168683
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 1.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -206.375893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.375893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.384539 (E_RNA)
where:
Base-Base interactions energy: -132.017
where: short stacking energy: -71.563
Base-Backbone interact. energy: 0.316
local terms energy: -74.682885
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -16.707
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: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -239.632596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.632596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.637899 (E_RNA)
where:
Base-Base interactions energy: -157.091
where: short stacking energy: -82.968
Base-Backbone interact. energy: -0.001
local terms energy: -82.546086
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -20.812
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: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -231.743251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.743251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.844407 (E_RNA)
where:
Base-Base interactions energy: -152.177
where: short stacking energy: -87.934
Base-Backbone interact. energy: -0.337
local terms energy: -79.329751
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -21.800
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: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -191.435180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.435180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.455121 (E_RNA)
where:
Base-Base interactions energy: -116.488
where: short stacking energy: -74.009
Base-Backbone interact. energy: -0.020
local terms energy: -74.946832
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -16.183
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: 420
Temperature: 1.100000
Total energy: -195.010613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.010613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.177132 (E_RNA)
where:
Base-Base interactions energy: -121.184
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.026
local terms energy: -73.967456
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -197.067445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.067445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.067445 (E_RNA)
where:
Base-Base interactions energy: -123.857
where: short stacking energy: -78.482
Base-Backbone interact. energy: -0.093
local terms energy: -73.117460
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -18.607
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: 7, replica: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -184.954433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.954433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.527897 (E_RNA)
where:
Base-Base interactions energy: -113.318
where: short stacking energy: -67.642
Base-Backbone interact. energy: -1.089
local terms energy: -72.121472
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 1.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -162.534888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.534888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.601882 (E_RNA)
where:
Base-Base interactions energy: -99.358
where: short stacking energy: -53.940
Base-Backbone interact. energy: -0.661
local terms energy: -62.583136
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -156.858910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.858910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.079579 (E_RNA)
where:
Base-Base interactions energy: -98.615
where: short stacking energy: -48.207
Base-Backbone interact. energy: 0.130
local terms energy: -58.594400
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -5.969
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: 420
Temperature: 1.350000
Total energy: -164.096513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.096513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.150844 (E_RNA)
where:
Base-Base interactions energy: -105.595
where: short stacking energy: -58.860
Base-Backbone interact. energy: 0.200
local terms energy: -58.755273
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -12.515
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -0.217
tors. eta vs tors. theta energy: -16.123
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: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -224.623960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.623960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.364804 (E_RNA)
where:
Base-Base interactions energy: -146.727
where: short stacking energy: -77.996
Base-Backbone interact. energy: -0.338
local terms energy: -78.300234
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -239.908061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.908061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.002717 (E_RNA)
where:
Base-Base interactions energy: -159.496
where: short stacking energy: -92.506
Base-Backbone interact. energy: -0.000
local terms energy: -80.506202
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -22.620
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: 421
Temperature: 1.000000
Total energy: -231.548636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.548636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.548636 (E_RNA)
where:
Base-Base interactions energy: -152.703
where: short stacking energy: -81.443
Base-Backbone interact. energy: -0.031
local terms energy: -78.814542
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -22.497
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: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -189.749149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.749149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.751981 (E_RNA)
where:
Base-Base interactions energy: -112.413
where: short stacking energy: -67.546
Base-Backbone interact. energy: -0.036
local terms energy: -77.303433
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -15.866
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: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -184.536683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.536683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.611459 (E_RNA)
where:
Base-Base interactions energy: -111.595
where: short stacking energy: -69.153
Base-Backbone interact. energy: -0.012
local terms energy: -73.004537
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -19.383
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: 421
Temperature: 1.150000
Total energy: -191.855758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.855758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.949565 (E_RNA)
where:
Base-Base interactions energy: -123.544
where: short stacking energy: -62.967
Base-Backbone interact. energy: -0.543
local terms energy: -67.862361
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -187.094848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.094848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.165834 (E_RNA)
where:
Base-Base interactions energy: -120.188
where: short stacking energy: -68.830
Base-Backbone interact. energy: -0.034
local terms energy: -68.944246
where:
bonds (distance) C4'-P energy: -8.779
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 2.071 (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: 421
Temperature: 1.250000
Total energy: -170.289607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.289607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.294604 (E_RNA)
where:
Base-Base interactions energy: -101.036
where: short stacking energy: -58.905
Base-Backbone interact. energy: -0.704
local terms energy: -68.554643
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -17.309
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: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -151.321098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.321098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.792415 (E_RNA)
where:
Base-Base interactions energy: -96.747
where: short stacking energy: -55.305
Base-Backbone interact. energy: -0.003
local terms energy: -55.042297
where:
bonds (distance) C4'-P energy: -9.815
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.471 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -159.712723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.712723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.014886 (E_RNA)
where:
Base-Base interactions energy: -91.503
where: short stacking energy: -53.338
Base-Backbone interact. energy: -0.184
local terms energy: -68.328655
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -12.756
Dist. restrs. and SS energy: 0.302 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -238.945455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.945455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.945455 (E_RNA)
where:
Base-Base interactions energy: -161.761
where: short stacking energy: -90.428
Base-Backbone interact. energy: -0.006
local terms energy: -77.178272
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -22.773
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: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -231.293465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.293465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.580055 (E_RNA)
where:
Base-Base interactions energy: -147.632
where: short stacking energy: -79.368
Base-Backbone interact. energy: -0.181
local terms energy: -83.766825
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -20.949
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: 3, replica: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -221.379863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.379863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.948269 (E_RNA)
where:
Base-Base interactions energy: -152.538
where: short stacking energy: -79.401
Base-Backbone interact. energy: -0.046
local terms energy: -69.364183
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -184.086587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.086587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.086587 (E_RNA)
where:
Base-Base interactions energy: -112.885
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.775
local terms energy: -70.426221
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -12.507
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: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -193.722449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.722449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.860916 (E_RNA)
where:
Base-Base interactions energy: -115.315
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.050
local terms energy: -78.495588
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -17.189
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: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -174.260538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.260538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.269039 (E_RNA)
where:
Base-Base interactions energy: -101.350
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.801
local terms energy: -72.118162
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -11.610
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: 422
Temperature: 1.200000
Total energy: -165.675147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.675147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.686935 (E_RNA)
where:
Base-Base interactions energy: -104.440
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.079
local terms energy: -61.168404
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -13.331
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -153.682667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.682667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.740800 (E_RNA)
where:
Base-Base interactions energy: -99.156
where: short stacking energy: -57.709
Base-Backbone interact. energy: 0.840
local terms energy: -55.424226
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -5.994
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: 422
Temperature: 1.300000
Total energy: -151.755423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.755423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.831289 (E_RNA)
where:
Base-Base interactions energy: -90.290
where: short stacking energy: -49.988
Base-Backbone interact. energy: -0.330
local terms energy: -61.211113
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -10.605
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -164.781166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.781166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.890507 (E_RNA)
where:
Base-Base interactions energy: -104.836
where: short stacking energy: -60.342
Base-Backbone interact. energy: -0.126
local terms energy: -59.928678
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -12.994
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: 10
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -248.989935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.989935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.055998 (E_RNA)
where:
Base-Base interactions energy: -160.670
where: short stacking energy: -89.504
Base-Backbone interact. energy: -0.001
local terms energy: -88.384868
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -22.551
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: 423
Temperature: 0.950000
Total energy: -232.364266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.364266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.812134 (E_RNA)
where:
Base-Base interactions energy: -159.765
where: short stacking energy: -76.930
Base-Backbone interact. energy: 0.349
local terms energy: -74.395523
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 1.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -229.278711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.278711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.718481 (E_RNA)
where:
Base-Base interactions energy: -151.387
where: short stacking energy: -84.593
Base-Backbone interact. energy: -0.014
local terms energy: -78.318027
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.440 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -194.535183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.535183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.609222 (E_RNA)
where:
Base-Base interactions energy: -119.661
where: short stacking energy: -60.966
Base-Backbone interact. energy: -0.373
local terms energy: -74.575711
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -17.417
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: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -196.320319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.320319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.527861 (E_RNA)
where:
Base-Base interactions energy: -127.496
where: short stacking energy: -73.106
Base-Backbone interact. energy: 1.870
local terms energy: -70.901922
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -15.348
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: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -173.781664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.781664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.818749 (E_RNA)
where:
Base-Base interactions energy: -107.360
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.006
local terms energy: -66.451871
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -12.056
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: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -183.511457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.511457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.597281 (E_RNA)
where:
Base-Base interactions energy: -116.700
where: short stacking energy: -67.500
Base-Backbone interact. energy: 2.619
local terms energy: -69.516180
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -19.037
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: 423
Temperature: 1.250000
Total energy: -152.912699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.912699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.405062 (E_RNA)
where:
Base-Base interactions energy: -89.681
where: short stacking energy: -50.781
Base-Backbone interact. energy: -0.048
local terms energy: -63.676524
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -10.690
Dist. restrs. and SS energy: 0.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -151.327052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.327052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.499105 (E_RNA)
where:
Base-Base interactions energy: -95.078
where: short stacking energy: -55.907
Base-Backbone interact. energy: 0.281
local terms energy: -56.702146
where:
bonds (distance) C4'-P energy: -7.361
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -9.940
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: 5
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -147.876797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.876797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.981362 (E_RNA)
where:
Base-Base interactions energy: -85.516
where: short stacking energy: -41.994
Base-Backbone interact. energy: -0.083
local terms energy: -62.382045
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -7.031
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: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -241.202144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.202144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.285843 (E_RNA)
where:
Base-Base interactions energy: -152.131
where: short stacking energy: -85.140
Base-Backbone interact. energy: -0.714
local terms energy: -88.441562
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -24.107
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -231.878371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.878371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.265392 (E_RNA)
where:
Base-Base interactions energy: -150.608
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.365
local terms energy: -82.292046
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -222.491037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.491037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.806433 (E_RNA)
where:
Base-Base interactions energy: -143.760
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.000
local terms energy: -80.046389
where:
bonds (distance) C4'-P energy: -14.862
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -24.140
Dist. restrs. and SS energy: 1.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -198.111552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.111552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.800790 (E_RNA)
where:
Base-Base interactions energy: -122.610
where: short stacking energy: -78.921
Base-Backbone interact. energy: -0.003
local terms energy: -76.187256
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -22.096
Dist. restrs. and SS energy: 0.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -181.644586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.644586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.852437 (E_RNA)
where:
Base-Base interactions energy: -121.859
where: short stacking energy: -69.421
Base-Backbone interact. energy: -0.094
local terms energy: -59.899675
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -13.316
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: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -185.097966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.097966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.126623 (E_RNA)
where:
Base-Base interactions energy: -106.408
where: short stacking energy: -67.731
Base-Backbone interact. energy: -0.110
local terms energy: -78.608460
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -21.322
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: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -174.655704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.655704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.704043 (E_RNA)
where:
Base-Base interactions energy: -105.956
where: short stacking energy: -64.463
Base-Backbone interact. energy: -0.001
local terms energy: -68.746753
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -16.749
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: 6
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -168.959971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.959971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.959971 (E_RNA)
where:
Base-Base interactions energy: -103.103
where: short stacking energy: -49.987
Base-Backbone interact. energy: -1.135
local terms energy: -64.721952
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -12.266
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: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -158.927776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.927776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.028627 (E_RNA)
where:
Base-Base interactions energy: -96.419
where: short stacking energy: -53.123
Base-Backbone interact. energy: -0.249
local terms energy: -62.360143
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -6.829
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: 424
Temperature: 1.350000
Total energy: -153.790725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.790725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.862430 (E_RNA)
where:
Base-Base interactions energy: -98.963
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.093
local terms energy: -54.806167
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -9.163
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -236.903088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.903088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.752030 (E_RNA)
where:
Base-Base interactions energy: -154.700
where: short stacking energy: -87.381
Base-Backbone interact. energy: -0.021
local terms energy: -83.031726
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -22.737
Dist. restrs. and SS energy: 0.849 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -235.280099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.280099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.788039 (E_RNA)
where:
Base-Base interactions energy: -150.600
where: short stacking energy: -82.316
Base-Backbone interact. energy: -0.721
local terms energy: -84.467155
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -24.227
Dist. restrs. and SS energy: 0.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -228.824920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.824920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.105174 (E_RNA)
where:
Base-Base interactions energy: -154.938
where: short stacking energy: -84.992
Base-Backbone interact. energy: -0.011
local terms energy: -74.155492
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -201.533717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.533717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.533717 (E_RNA)
where:
Base-Base interactions energy: -125.817
where: short stacking energy: -65.361
Base-Backbone interact. energy: -0.012
local terms energy: -75.703774
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: -0.000 (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: 425
Temperature: 1.100000
Total energy: -190.256710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.256710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.643055 (E_RNA)
where:
Base-Base interactions energy: -123.177
where: short stacking energy: -63.052
Base-Backbone interact. energy: -0.157
local terms energy: -67.309284
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -14.376
Dist. restrs. and SS energy: 0.386 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -168.182607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.182607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.267432 (E_RNA)
where:
Base-Base interactions energy: -98.256
where: short stacking energy: -48.748
Base-Backbone interact. energy: 1.200
local terms energy: -71.210962
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -12.124
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: 425
Temperature: 1.200000
Total energy: -186.076804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.076804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.233180 (E_RNA)
where:
Base-Base interactions energy: -118.111
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.050
local terms energy: -68.072509
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -16.287
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: 8, replica: 5
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -148.486730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.486730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.331602 (E_RNA)
where:
Base-Base interactions energy: -94.919
where: short stacking energy: -47.888
Base-Backbone interact. energy: -0.232
local terms energy: -54.180977
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -7.907
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -10.054
Dist. restrs. and SS energy: 0.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -156.398805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.398805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.530591 (E_RNA)
where:
Base-Base interactions energy: -90.657
where: short stacking energy: -55.887
Base-Backbone interact. energy: -0.023
local terms energy: -65.850784
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -153.850737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.850737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.932211 (E_RNA)
where:
Base-Base interactions energy: -95.200
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.586
local terms energy: -58.145613
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -5.031
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -12.364
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: 7
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -243.872025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.872025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.894291 (E_RNA)
where:
Base-Base interactions energy: -156.570
where: short stacking energy: -85.800
Base-Backbone interact. energy: -0.002
local terms energy: -87.322473
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -20.979
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: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -244.692042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.692042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.706850 (E_RNA)
where:
Base-Base interactions energy: -160.777
where: short stacking energy: -87.442
Base-Backbone interact. energy: -0.001
local terms energy: -83.929105
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -20.779
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: 426
Temperature: 1.000000
Total energy: -221.496212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.496212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.569436 (E_RNA)
where:
Base-Base interactions energy: -140.832
where: short stacking energy: -79.801
Base-Backbone interact. energy: -0.080
local terms energy: -81.657541
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 1.073 (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: 426
Temperature: 1.050000
Total energy: -195.260946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.260946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.335935 (E_RNA)
where:
Base-Base interactions energy: -124.684
where: short stacking energy: -74.781
Base-Backbone interact. energy: -0.311
local terms energy: -70.340281
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -15.079
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: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -222.088514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.088514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.328815 (E_RNA)
where:
Base-Base interactions energy: -140.880
where: short stacking energy: -77.270
Base-Backbone interact. energy: -0.008
local terms energy: -81.440371
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -24.233
Dist. restrs. and SS energy: 0.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -187.039837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.039837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.171718 (E_RNA)
where:
Base-Base interactions energy: -115.847
where: short stacking energy: -73.551
Base-Backbone interact. energy: -0.020
local terms energy: -71.304783
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -19.522
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: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -177.420386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.420386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.504236 (E_RNA)
where:
Base-Base interactions energy: -108.625
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.271
local terms energy: -68.608925
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -16.090
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: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -171.914867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.914867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.009503 (E_RNA)
where:
Base-Base interactions energy: -106.014
where: short stacking energy: -66.664
Base-Backbone interact. energy: -0.199
local terms energy: -65.796151
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -17.243
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: 8
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -177.895730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.895730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.872490 (E_RNA)
where:
Base-Base interactions energy: -113.434
where: short stacking energy: -66.778
Base-Backbone interact. energy: -0.011
local terms energy: -65.427715
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -151.582028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.582028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.763910 (E_RNA)
where:
Base-Base interactions energy: -97.518
where: short stacking energy: -48.463
Base-Backbone interact. energy: 1.798
local terms energy: -56.043848
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -7.838
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -246.650465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.650465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.650465 (E_RNA)
where:
Base-Base interactions energy: -161.142
where: short stacking energy: -91.581
Base-Backbone interact. energy: -0.973
local terms energy: -84.534624
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -21.868
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: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -237.653467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.653467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.146796 (E_RNA)
where:
Base-Base interactions energy: -153.827
where: short stacking energy: -81.770
Base-Backbone interact. energy: -0.001
local terms energy: -84.319296
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -21.671
Dist. restrs. and SS energy: 0.493 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -209.424993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.424993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.598185 (E_RNA)
where:
Base-Base interactions energy: -128.334
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.201
local terms energy: -81.063495
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -17.950
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: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -217.579726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.579726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.460732 (E_RNA)
where:
Base-Base interactions energy: -138.282
where: short stacking energy: -67.613
Base-Backbone interact. energy: -0.417
local terms energy: -79.761936
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.881 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -182.844851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.844851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.101260 (E_RNA)
where:
Base-Base interactions energy: -112.219
where: short stacking energy: -68.197
Base-Backbone interact. energy: -0.006
local terms energy: -70.875812
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -214.040681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.040681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.218690 (E_RNA)
where:
Base-Base interactions energy: -135.547
where: short stacking energy: -74.536
Base-Backbone interact. energy: -0.073
local terms energy: -80.598700
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 2.178 (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: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -176.709711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.709711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.098511 (E_RNA)
where:
Base-Base interactions energy: -105.264
where: short stacking energy: -67.996
Base-Backbone interact. energy: -0.921
local terms energy: -70.913849
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -182.254543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.254543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.421384 (E_RNA)
where:
Base-Base interactions energy: -109.615
where: short stacking energy: -59.815
Base-Backbone interact. energy: -0.006
local terms energy: -72.800850
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -18.042
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: 9, replica: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -172.061860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.061860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.145886 (E_RNA)
where:
Base-Base interactions energy: -101.425
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.498
local terms energy: -70.223215
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -17.241
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: 427
Temperature: 1.350000
Total energy: -159.136446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.136446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.178954 (E_RNA)
where:
Base-Base interactions energy: -97.403
where: short stacking energy: -58.244
Base-Backbone interact. energy: 0.022
local terms energy: -61.798216
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -13.120
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: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -241.660811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.660811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.024064 (E_RNA)
where:
Base-Base interactions energy: -157.214
where: short stacking energy: -85.000
Base-Backbone interact. energy: -0.001
local terms energy: -85.809411
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 1.363 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -240.273345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.273345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.273345 (E_RNA)
where:
Base-Base interactions energy: -160.774
where: short stacking energy: -88.639
Base-Backbone interact. energy: -0.004
local terms energy: -79.494444
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -22.282
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: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -219.461602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.461602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.215039 (E_RNA)
where:
Base-Base interactions energy: -150.496
where: short stacking energy: -80.082
Base-Backbone interact. energy: -0.460
local terms energy: -70.258763
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 1.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -206.101509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.101509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.179515 (E_RNA)
where:
Base-Base interactions energy: -129.553
where: short stacking energy: -75.310
Base-Backbone interact. energy: -0.029
local terms energy: -76.597360
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -17.074
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: 428
Temperature: 1.100000
Total energy: -200.023533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.023533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.040258 (E_RNA)
where:
Base-Base interactions energy: -128.756
where: short stacking energy: -74.741
Base-Backbone interact. energy: 0.690
local terms energy: -71.974474
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -17.156
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: 428
Temperature: 1.150000
Total energy: -175.733790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.733790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.738418 (E_RNA)
where:
Base-Base interactions energy: -112.512
where: short stacking energy: -60.624
Base-Backbone interact. energy: 0.519
local terms energy: -63.745132
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -18.058
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: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -180.818062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.818062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.826534 (E_RNA)
where:
Base-Base interactions energy: -110.178
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.040
local terms energy: -70.608297
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -19.193
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: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -164.766994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.766994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.860822 (E_RNA)
where:
Base-Base interactions energy: -98.836
where: short stacking energy: -54.759
Base-Backbone interact. energy: -0.114
local terms energy: -65.911368
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -15.594
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: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -150.296779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.296779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.349952 (E_RNA)
where:
Base-Base interactions energy: -85.904
where: short stacking energy: -48.892
Base-Backbone interact. energy: -0.094
local terms energy: -65.351722
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -15.910
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: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -157.358319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.358319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.449661 (E_RNA)
where:
Base-Base interactions energy: -94.921
where: short stacking energy: -53.400
Base-Backbone interact. energy: -0.636
local terms energy: -61.892780
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -10.528
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -236.956369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.956369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.608179 (E_RNA)
where:
Base-Base interactions energy: -153.372
where: short stacking energy: -85.704
Base-Backbone interact. energy: -0.009
local terms energy: -85.226985
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -23.098
Dist. restrs. and SS energy: 1.652 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -237.108123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.108123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.467973 (E_RNA)
where:
Base-Base interactions energy: -154.730
where: short stacking energy: -85.330
Base-Backbone interact. energy: -0.000
local terms energy: -82.737830
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -236.119394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.119394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.778897 (E_RNA)
where:
Base-Base interactions energy: -153.429
where: short stacking energy: -79.852
Base-Backbone interact. energy: -0.004
local terms energy: -83.345717
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -205.834134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.834134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.834134 (E_RNA)
where:
Base-Base interactions energy: -130.852
where: short stacking energy: -74.001
Base-Backbone interact. energy: -0.942
local terms energy: -74.040160
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (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: 429
Temperature: 1.100000
Total energy: -226.270202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.270202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.387701 (E_RNA)
where:
Base-Base interactions energy: -151.924
where: short stacking energy: -83.386
Base-Backbone interact. energy: -0.165
local terms energy: -74.298692
where:
bonds (distance) C4'-P energy: -7.510
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -198.963270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.963270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.603801 (E_RNA)
where:
Base-Base interactions energy: -120.584
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.020
local terms energy: -78.999874
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: 0.641 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -170.533760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.533760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.915930 (E_RNA)
where:
Base-Base interactions energy: -113.101
where: short stacking energy: -64.008
Base-Backbone interact. energy: -0.016
local terms energy: -58.799254
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 1.382 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -166.474056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.474056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.558905 (E_RNA)
where:
Base-Base interactions energy: -105.216
where: short stacking energy: -62.699
Base-Backbone interact. energy: 0.019
local terms energy: -62.361845
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -15.739
Dist. restrs. and SS energy: 1.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -155.595708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.595708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.699099 (E_RNA)
where:
Base-Base interactions energy: -91.024
where: short stacking energy: -50.932
Base-Backbone interact. energy: 1.251
local terms energy: -65.925972
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -8.989
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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -133.063198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.063198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.160444 (E_RNA)
where:
Base-Base interactions energy: -80.381
where: short stacking energy: -38.308
Base-Backbone interact. energy: -0.138
local terms energy: -52.641345
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -0.861
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: 430
Temperature: 0.900000
Total energy: -239.872787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.872787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.812345 (E_RNA)
where:
Base-Base interactions energy: -156.998
where: short stacking energy: -85.105
Base-Backbone interact. energy: -0.624
local terms energy: -84.190176
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 1.940 (S_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: 430
Temperature: 0.950000
Total energy: -232.554261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.554261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.744855 (E_RNA)
where:
Base-Base interactions energy: -149.297
where: short stacking energy: -79.303
Base-Backbone interact. energy: -0.001
local terms energy: -83.446998
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -22.696
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: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -239.255542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.255542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.972962 (E_RNA)
where:
Base-Base interactions energy: -155.638
where: short stacking energy: -85.032
Base-Backbone interact. energy: -0.420
local terms energy: -83.914488
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -210.073167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.073167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.560577 (E_RNA)
where:
Base-Base interactions energy: -129.096
where: short stacking energy: -67.162
Base-Backbone interact. energy: -0.693
local terms energy: -81.771517
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 1.487 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -200.710821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.710821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.256168 (E_RNA)
where:
Base-Base interactions energy: -137.055
where: short stacking energy: -73.687
Base-Backbone interact. energy: -0.338
local terms energy: -63.863388
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: -21.298
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: 3
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -212.463507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.463507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.648525 (E_RNA)
where:
Base-Base interactions energy: -138.514
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.013
local terms energy: -75.121358
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 1.185 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -173.735658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.735658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.977814 (E_RNA)
where:
Base-Base interactions energy: -110.124
where: short stacking energy: -58.793
Base-Backbone interact. energy: -0.060
local terms energy: -63.794163
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -12.692
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -154.626336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.626336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.882627 (E_RNA)
where:
Base-Base interactions energy: -97.438
where: short stacking energy: -46.680
Base-Backbone interact. energy: -0.098
local terms energy: -57.345711
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -8.522
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -156.086087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.086087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.803509 (E_RNA)
where:
Base-Base interactions energy: -95.035
where: short stacking energy: -50.317
Base-Backbone interact. energy: -0.088
local terms energy: -61.680194
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -9.867
Dist. restrs. and SS energy: 0.717 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -153.182597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.182597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.411323 (E_RNA)
where:
Base-Base interactions energy: -101.831
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.127
local terms energy: -51.453360
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -11.910
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -10.769
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: 1, replica: 10
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -235.149768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.149768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.209675 (E_RNA)
where:
Base-Base interactions energy: -158.226
where: short stacking energy: -80.943
Base-Backbone interact. energy: -0.417
local terms energy: -76.567405
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -20.608
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: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -235.614618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.614618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.962245 (E_RNA)
where:
Base-Base interactions energy: -156.926
where: short stacking energy: -85.269
Base-Backbone interact. energy: -0.011
local terms energy: -79.025357
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -20.766
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: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -221.965149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.965149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.996533 (E_RNA)
where:
Base-Base interactions energy: -138.133
where: short stacking energy: -72.777
Base-Backbone interact. energy: -0.952
local terms energy: -82.912087
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -19.107
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: 431
Temperature: 1.050000
Total energy: -214.922284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.922284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.713786 (E_RNA)
where:
Base-Base interactions energy: -146.076
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.005
local terms energy: -70.632980
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 1.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -217.577162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.577162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.683311 (E_RNA)
where:
Base-Base interactions energy: -142.144
where: short stacking energy: -79.722
Base-Backbone interact. energy: -0.046
local terms energy: -75.493237
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -21.203
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: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -172.284868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.284868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.900640 (E_RNA)
where:
Base-Base interactions energy: -107.095
where: short stacking energy: -54.047
Base-Backbone interact. energy: -0.043
local terms energy: -65.762375
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -181.579102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.579102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.704091 (E_RNA)
where:
Base-Base interactions energy: -107.534
where: short stacking energy: -56.594
Base-Backbone interact. energy: -0.093
local terms energy: -74.076291
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -11.957
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: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -151.566750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.566750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.716951 (E_RNA)
where:
Base-Base interactions energy: -88.095
where: short stacking energy: -50.838
Base-Backbone interact. energy: 1.209
local terms energy: -64.831507
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -9.395
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: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -165.975229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.975229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.975229 (E_RNA)
where:
Base-Base interactions energy: -98.341
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.101
local terms energy: -67.532809
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: -0.000 (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: 431
Temperature: 1.350000
Total energy: -150.575749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.575749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.858375 (E_RNA)
where:
Base-Base interactions energy: -86.514
where: short stacking energy: -42.380
Base-Backbone interact. energy: -0.204
local terms energy: -64.140009
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -8.135
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: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -239.718447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.718447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.169083 (E_RNA)
where:
Base-Base interactions energy: -154.838
where: short stacking energy: -81.012
Base-Backbone interact. energy: -0.000
local terms energy: -85.330361
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -23.131
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -233.482127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.482127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.481578 (E_RNA)
where:
Base-Base interactions energy: -149.842
where: short stacking energy: -77.678
Base-Backbone interact. energy: -0.004
local terms energy: -84.635628
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -24.489
Dist. restrs. and SS energy: 0.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -212.258850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.258850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.884049 (E_RNA)
where:
Base-Base interactions energy: -139.728
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.004
local terms energy: -73.152359
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -213.525663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.525663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.667643 (E_RNA)
where:
Base-Base interactions energy: -145.490
where: short stacking energy: -72.451
Base-Backbone interact. energy: -0.293
local terms energy: -68.883699
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 1.142 (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: 5
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -209.403689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.403689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.790963 (E_RNA)
where:
Base-Base interactions energy: -139.492
where: short stacking energy: -71.881
Base-Backbone interact. energy: -0.023
local terms energy: -71.275922
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 1.387 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -184.101461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.101461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.658048 (E_RNA)
where:
Base-Base interactions energy: -109.554
where: short stacking energy: -68.472
Base-Backbone interact. energy: -0.430
local terms energy: -75.674055
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 1.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -173.452190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.452190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.601911 (E_RNA)
where:
Base-Base interactions energy: -100.723
where: short stacking energy: -52.589
Base-Backbone interact. energy: -0.654
local terms energy: -72.224975
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -8.660
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: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -161.121875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.121875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.146881 (E_RNA)
where:
Base-Base interactions energy: -104.861
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.004
local terms energy: -56.281454
where:
bonds (distance) C4'-P energy: -5.043
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -12.955
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: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -152.519917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.519917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.640646 (E_RNA)
where:
Base-Base interactions energy: -91.103
where: short stacking energy: -52.971
Base-Backbone interact. energy: -1.594
local terms energy: -59.943030
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -12.942
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: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -155.865108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.865108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.922800 (E_RNA)
where:
Base-Base interactions energy: -96.506
where: short stacking energy: -44.046
Base-Backbone interact. energy: -0.050
local terms energy: -59.367367
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -8.350
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: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -243.139028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.139028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.556175 (E_RNA)
where:
Base-Base interactions energy: -160.832
where: short stacking energy: -84.712
Base-Backbone interact. energy: 0.202
local terms energy: -83.925538
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -21.103
Dist. restrs. and SS energy: 1.417 (S_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: 433
Temperature: 0.950000
Total energy: -229.877369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.877369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.889164 (E_RNA)
where:
Base-Base interactions energy: -158.226
where: short stacking energy: -76.570
Base-Backbone interact. energy: -0.308
local terms energy: -71.355866
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -214.047751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.047751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.811912 (E_RNA)
where:
Base-Base interactions energy: -143.614
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.071
local terms energy: -71.126667
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -20.031
Dist. restrs. and SS energy: 0.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -184.487230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.487230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.385364 (E_RNA)
where:
Base-Base interactions energy: -127.804
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.527
local terms energy: -57.054200
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -11.942
Dist. restrs. and SS energy: 0.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -215.699404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.699404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.098581 (E_RNA)
where:
Base-Base interactions energy: -143.677
where: short stacking energy: -80.166
Base-Backbone interact. energy: -0.004
local terms energy: -72.417521
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.399 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -172.401492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.401492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.484904 (E_RNA)
where:
Base-Base interactions energy: -102.325
where: short stacking energy: -56.771
Base-Backbone interact. energy: -0.749
local terms energy: -69.411219
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -10.550
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: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -162.969084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.969084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.091041 (E_RNA)
where:
Base-Base interactions energy: -101.392
where: short stacking energy: -62.140
Base-Backbone interact. energy: -0.248
local terms energy: -61.451225
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -3.100
tors. eta vs tors. theta energy: -18.559
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: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -166.596798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.596798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.683821 (E_RNA)
where:
Base-Base interactions energy: -99.710
where: short stacking energy: -61.194
Base-Backbone interact. energy: -1.163
local terms energy: -65.811191
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -15.462
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: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -136.768584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.768584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.925971 (E_RNA)
where:
Base-Base interactions energy: -81.570
where: short stacking energy: -44.012
Base-Backbone interact. energy: -0.203
local terms energy: -55.153017
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -148.063362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.063362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.158121 (E_RNA)
where:
Base-Base interactions energy: -86.239
where: short stacking energy: -49.592
Base-Backbone interact. energy: -0.139
local terms energy: -63.779748
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -13.589
Dist. restrs. and SS energy: 2.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -243.342034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.342034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.365417 (E_RNA)
where:
Base-Base interactions energy: -153.478
where: short stacking energy: -88.938
Base-Backbone interact. energy: -0.271
local terms energy: -89.616219
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -23.743
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: 434
Temperature: 0.950000
Total energy: -238.990057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.990057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.011047 (E_RNA)
where:
Base-Base interactions energy: -152.942
where: short stacking energy: -82.209
Base-Backbone interact. energy: -0.005
local terms energy: -86.063895
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -21.079
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: 434
Temperature: 1.000000
Total energy: -206.699291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.699291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.259476 (E_RNA)
where:
Base-Base interactions energy: -136.788
where: short stacking energy: -71.855
Base-Backbone interact. energy: -2.454
local terms energy: -69.018118
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -18.115
Dist. restrs. and SS energy: 1.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -213.107153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.107153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.243198 (E_RNA)
where:
Base-Base interactions energy: -132.448
where: short stacking energy: -81.331
Base-Backbone interact. energy: -0.019
local terms energy: -80.776044
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -17.974
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: 434
Temperature: 1.100000
Total energy: -172.530770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.530770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.549316 (E_RNA)
where:
Base-Base interactions energy: -107.209
where: short stacking energy: -64.541
Base-Backbone interact. energy: -0.156
local terms energy: -65.184526
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -15.531
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: 2
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -190.145227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.145227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.217317 (E_RNA)
where:
Base-Base interactions energy: -126.117
where: short stacking energy: -71.013
Base-Backbone interact. energy: -0.022
local terms energy: -64.077990
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -5.382
tors. eta vs tors. theta energy: -16.913
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: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -158.831255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.831255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.077523 (E_RNA)
where:
Base-Base interactions energy: -102.248
where: short stacking energy: -57.940
Base-Backbone interact. energy: 0.463
local terms energy: -57.292691
where:
bonds (distance) C4'-P energy: -6.050
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.246 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -158.852169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.852169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.017044 (E_RNA)
where:
Base-Base interactions energy: -101.882
where: short stacking energy: -55.270
Base-Backbone interact. energy: -0.945
local terms energy: -56.190653
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -7.291
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: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -159.578311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.578311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.600289 (E_RNA)
where:
Base-Base interactions energy: -98.782
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.233
local terms energy: -60.585118
where:
bonds (distance) C4'-P energy: -6.848
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -10.237
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: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -141.675316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.675316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.290663 (E_RNA)
where:
Base-Base interactions energy: -83.657
where: short stacking energy: -52.155
Base-Backbone interact. energy: -0.178
local terms energy: -58.455977
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -8.232
Dist. restrs. and SS energy: 0.615 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -243.932671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.932671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.277839 (E_RNA)
where:
Base-Base interactions energy: -155.065
where: short stacking energy: -88.783
Base-Backbone interact. energy: -0.012
local terms energy: -89.200914
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -22.384
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: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -238.645670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.645670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.808577 (E_RNA)
where:
Base-Base interactions energy: -152.479
where: short stacking energy: -82.983
Base-Backbone interact. energy: -0.026
local terms energy: -86.303934
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -23.089
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: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -230.464322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.464322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.685530 (E_RNA)
where:
Base-Base interactions energy: -152.657
where: short stacking energy: -78.566
Base-Backbone interact. energy: -0.077
local terms energy: -77.952455
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -211.025382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.025382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.303771 (E_RNA)
where:
Base-Base interactions energy: -133.813
where: short stacking energy: -67.675
Base-Backbone interact. energy: -0.671
local terms energy: -77.819684
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 1.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -195.430594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.430594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.430594 (E_RNA)
where:
Base-Base interactions energy: -123.754
where: short stacking energy: -64.168
Base-Backbone interact. energy: -0.098
local terms energy: -71.578217
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -14.709
Dist. restrs. and SS energy: 0.000 (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: 435
Temperature: 1.150000
Total energy: -181.191208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.191208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.373489 (E_RNA)
where:
Base-Base interactions energy: -110.990
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.024
local terms energy: -70.359190
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -17.418
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: 2
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -189.463778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.463778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.816441 (E_RNA)
where:
Base-Base interactions energy: -123.612
where: short stacking energy: -65.799
Base-Backbone interact. energy: 1.264
local terms energy: -67.468953
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -20.174
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: 8, replica: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -160.458552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.458552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.529964 (E_RNA)
where:
Base-Base interactions energy: -104.726
where: short stacking energy: -59.110
Base-Backbone interact. energy: -0.415
local terms energy: -55.389514
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -9.641
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: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -149.312634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.312634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.728333 (E_RNA)
where:
Base-Base interactions energy: -95.283
where: short stacking energy: -46.701
Base-Backbone interact. energy: -0.570
local terms energy: -53.875994
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -8.053
Dist. restrs. and SS energy: 0.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -149.329866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.329866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.329866 (E_RNA)
where:
Base-Base interactions energy: -89.443
where: short stacking energy: -49.258
Base-Backbone interact. energy: 0.376
local terms energy: -60.262352
where:
bonds (distance) C4'-P energy: -10.218
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.562
tors. eta vs tors. theta energy: -10.059
Dist. restrs. and SS energy: -0.000 (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: 436
Temperature: 0.900000
Total energy: -239.694104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.694104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.700140 (E_RNA)
where:
Base-Base interactions energy: -154.658
where: short stacking energy: -91.569
Base-Backbone interact. energy: -0.005
local terms energy: -85.037249
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -23.606
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: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -236.679024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.679024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.679024 (E_RNA)
where:
Base-Base interactions energy: -156.742
where: short stacking energy: -91.233
Base-Backbone interact. energy: -0.006
local terms energy: -79.931716
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -23.183
Dist. restrs. and SS energy: -0.000 (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: 436
Temperature: 1.000000
Total energy: -235.195865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.195865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.212464 (E_RNA)
where:
Base-Base interactions energy: -155.966
where: short stacking energy: -73.856
Base-Backbone interact. energy: -0.001
local terms energy: -79.245110
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -214.463654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.463654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.935805 (E_RNA)
where:
Base-Base interactions energy: -141.277
where: short stacking energy: -69.396
Base-Backbone interact. energy: -0.101
local terms energy: -73.557476
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -187.269835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.269835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.938261 (E_RNA)
where:
Base-Base interactions energy: -123.054
where: short stacking energy: -63.723
Base-Backbone interact. energy: -0.834
local terms energy: -64.049728
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -172.252514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.252514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.383631 (E_RNA)
where:
Base-Base interactions energy: -107.611
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.058
local terms energy: -64.714600
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -173.284433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.284433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.359715 (E_RNA)
where:
Base-Base interactions energy: -106.152
where: short stacking energy: -64.253
Base-Backbone interact. energy: -0.515
local terms energy: -66.691901
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -17.767
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: 436
Temperature: 1.250000
Total energy: -159.479225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.479225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.486245 (E_RNA)
where:
Base-Base interactions energy: -95.068
where: short stacking energy: -57.589
Base-Backbone interact. energy: -1.267
local terms energy: -63.151336
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -11.346
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: 436
Temperature: 1.300000
Total energy: -167.268264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.268264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.314333 (E_RNA)
where:
Base-Base interactions energy: -106.129
where: short stacking energy: -63.794
Base-Backbone interact. energy: 0.016
local terms energy: -61.201100
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -13.891
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: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -145.987290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.987290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.089919 (E_RNA)
where:
Base-Base interactions energy: -85.577
where: short stacking energy: -46.342
Base-Backbone interact. energy: -0.093
local terms energy: -60.419964
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -11.559
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: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -242.311730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.311730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.326587 (E_RNA)
where:
Base-Base interactions energy: -157.557
where: short stacking energy: -82.847
Base-Backbone interact. energy: -0.003
local terms energy: -84.766571
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -21.814
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: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -243.453034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.453034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.571107 (E_RNA)
where:
Base-Base interactions energy: -160.254
where: short stacking energy: -71.807
Base-Backbone interact. energy: -0.150
local terms energy: -83.167439
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -230.580603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.580603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.741037 (E_RNA)
where:
Base-Base interactions energy: -153.736
where: short stacking energy: -79.286
Base-Backbone interact. energy: -0.113
local terms energy: -76.891809
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -20.399
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -210.068229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.068229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.174069 (E_RNA)
where:
Base-Base interactions energy: -133.109
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.088
local terms energy: -76.976090
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -205.269180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.269180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.174442 (E_RNA)
where:
Base-Base interactions energy: -139.853
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.329
local terms energy: -65.992313
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -15.971
Dist. restrs. and SS energy: 0.905 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -207.305495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.305495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.307704 (E_RNA)
where:
Base-Base interactions energy: -132.991
where: short stacking energy: -67.350
Base-Backbone interact. energy: -0.581
local terms energy: -73.735932
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -20.451
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: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -185.787593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.787593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.927805 (E_RNA)
where:
Base-Base interactions energy: -116.179
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.067
local terms energy: -69.681817
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -20.763
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: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -177.435924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.435924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.435924 (E_RNA)
where:
Base-Base interactions energy: -104.747
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.013
local terms energy: -72.676487
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -10.935
tors. eta vs tors. theta energy: -19.216
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: 9, replica: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -149.765153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.765153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.319058 (E_RNA)
where:
Base-Base interactions energy: -90.989
where: short stacking energy: -50.673
Base-Backbone interact. energy: -1.727
local terms energy: -57.602307
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -7.903
Dist. restrs. and SS energy: 0.554 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -155.993471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.993471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.337510 (E_RNA)
where:
Base-Base interactions energy: -90.098
where: short stacking energy: -52.286
Base-Backbone interact. energy: -0.226
local terms energy: -66.012647
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -13.365
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: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -245.968759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.968759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.007557 (E_RNA)
where:
Base-Base interactions energy: -156.214
where: short stacking energy: -88.717
Base-Backbone interact. energy: -0.247
local terms energy: -89.546553
where:
bonds (distance) C4'-P energy: -17.525
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -26.024
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: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -241.056084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.056084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.056084 (E_RNA)
where:
Base-Base interactions energy: -157.515
where: short stacking energy: -85.106
Base-Backbone interact. energy: -0.181
local terms energy: -83.360401
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -24.801
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: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -234.429423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.429423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.601688 (E_RNA)
where:
Base-Base interactions energy: -157.037
where: short stacking energy: -84.480
Base-Backbone interact. energy: -0.004
local terms energy: -77.560335
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -20.909
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: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -200.644887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.644887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.644887 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -70.515
Base-Backbone interact. energy: -0.230
local terms energy: -59.167415
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -18.223
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: 2
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -216.250967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.250967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.610192 (E_RNA)
where:
Base-Base interactions energy: -141.020
where: short stacking energy: -82.044
Base-Backbone interact. energy: -0.001
local terms energy: -76.589252
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 1.359 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -189.844594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.844594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.001370 (E_RNA)
where:
Base-Base interactions energy: -111.424
where: short stacking energy: -56.419
Base-Backbone interact. energy: 1.232
local terms energy: -79.809435
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -19.152
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: 438
Temperature: 1.200000
Total energy: -165.842763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.842763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.847242 (E_RNA)
where:
Base-Base interactions energy: -93.454
where: short stacking energy: -51.574
Base-Backbone interact. energy: -0.321
local terms energy: -72.071672
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -14.929
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: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -163.399546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.399546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.756425 (E_RNA)
where:
Base-Base interactions energy: -102.609
where: short stacking energy: -57.374
Base-Backbone interact. energy: -0.021
local terms energy: -61.126499
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -149.758516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.758516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.079046 (E_RNA)
where:
Base-Base interactions energy: -83.705
where: short stacking energy: -41.046
Base-Backbone interact. energy: -0.198
local terms energy: -66.175818
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.321 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -141.992181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.992181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.175604 (E_RNA)
where:
Base-Base interactions energy: -88.420
where: short stacking energy: -46.776
Base-Backbone interact. energy: -0.114
local terms energy: -53.641559
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -4.661
tors. eta vs tors. theta energy: -8.102
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: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -241.469477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.469477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.469477 (E_RNA)
where:
Base-Base interactions energy: -167.216
where: short stacking energy: -93.011
Base-Backbone interact. energy: 1.097
local terms energy: -75.350739
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -21.947
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: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -234.045182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.045182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.119487 (E_RNA)
where:
Base-Base interactions energy: -154.696
where: short stacking energy: -88.591
Base-Backbone interact. energy: -1.723
local terms energy: -77.700721
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -25.546
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -241.664963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.664963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.690786 (E_RNA)
where:
Base-Base interactions energy: -152.356
where: short stacking energy: -81.170
Base-Backbone interact. energy: -0.022
local terms energy: -89.313119
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -19.484
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -26.650
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -216.684283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.684283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.183657 (E_RNA)
where:
Base-Base interactions energy: -146.183
where: short stacking energy: -60.320
Base-Backbone interact. energy: -0.165
local terms energy: -70.836012
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.499 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -198.490915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.490915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.460087 (E_RNA)
where:
Base-Base interactions energy: -135.618
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.002
local terms energy: -63.840857
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -181.749625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.749625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.798875 (E_RNA)
where:
Base-Base interactions energy: -113.868
where: short stacking energy: -71.724
Base-Backbone interact. energy: -0.247
local terms energy: -67.683531
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -13.178
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: 7
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -162.880485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.880485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.506390 (E_RNA)
where:
Base-Base interactions energy: -95.515
where: short stacking energy: -53.534
Base-Backbone interact. energy: -0.009
local terms energy: -68.982771
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 1.626 (S_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: 439
Temperature: 1.250000
Total energy: -168.458674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.458674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.473076 (E_RNA)
where:
Base-Base interactions energy: -97.988
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.135
local terms energy: -70.349798
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -15.999
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: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -147.037669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.037669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.093537 (E_RNA)
where:
Base-Base interactions energy: -84.035
where: short stacking energy: -44.148
Base-Backbone interact. energy: -0.580
local terms energy: -62.478586
where:
bonds (distance) C4'-P energy: -15.617
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -3.256
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: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -143.301266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.301266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.414221 (E_RNA)
where:
Base-Base interactions energy: -86.212
where: short stacking energy: -47.287
Base-Backbone interact. energy: -0.325
local terms energy: -56.876919
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -4.103
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: 1
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -238.793456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.793456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.813494 (E_RNA)
where:
Base-Base interactions energy: -155.777
where: short stacking energy: -88.429
Base-Backbone interact. energy: -0.083
local terms energy: -82.953778
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -20.965
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: 440
Temperature: 0.950000
Total energy: -227.395435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.395435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.578047 (E_RNA)
where:
Base-Base interactions energy: -151.348
where: short stacking energy: -85.215
Base-Backbone interact. energy: -0.026
local terms energy: -76.204206
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -21.600
Dist. restrs. and SS energy: 0.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -230.656826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.656826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.714213 (E_RNA)
where:
Base-Base interactions energy: -145.964
where: short stacking energy: -84.385
Base-Backbone interact. energy: -0.014
local terms energy: -84.735815
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -24.151
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: 440
Temperature: 1.050000
Total energy: -204.769595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.769595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.102876 (E_RNA)
where:
Base-Base interactions energy: -133.647
where: short stacking energy: -69.258
Base-Backbone interact. energy: -0.644
local terms energy: -70.812243
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -210.677534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.677534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.771680 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -70.021
Base-Backbone interact. energy: -1.693
local terms energy: -75.688120
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -22.541
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -160.423756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.423756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.523207 (E_RNA)
where:
Base-Base interactions energy: -101.405
where: short stacking energy: -51.809
Base-Backbone interact. energy: -1.836
local terms energy: -57.282477
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -10.232
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -10.661
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: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -169.705816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.705816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.292790 (E_RNA)
where:
Base-Base interactions energy: -102.481
where: short stacking energy: -59.560
Base-Backbone interact. energy: -0.002
local terms energy: -67.809640
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -13.460
Dist. restrs. and SS energy: 0.587 (S_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: 440
Temperature: 1.250000
Total energy: -173.954427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.954427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.983540 (E_RNA)
where:
Base-Base interactions energy: -116.550
where: short stacking energy: -65.725
Base-Backbone interact. energy: -0.020
local terms energy: -57.413206
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -16.099
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: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -163.171258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.171258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.452703 (E_RNA)
where:
Base-Base interactions energy: -101.902
where: short stacking energy: -61.523
Base-Backbone interact. energy: 0.215
local terms energy: -61.765788
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -10.865
Dist. restrs. and SS energy: 0.281 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -152.081297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.081297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.758960 (E_RNA)
where:
Base-Base interactions energy: -97.032
where: short stacking energy: -60.076
Base-Backbone interact. energy: -0.074
local terms energy: -55.653869
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -8.965
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.678 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -242.462490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.462490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.485619 (E_RNA)
where:
Base-Base interactions energy: -158.229
where: short stacking energy: -90.682
Base-Backbone interact. energy: -0.030
local terms energy: -84.226657
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -22.724
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: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -222.584693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.584693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.171656 (E_RNA)
where:
Base-Base interactions energy: -144.796
where: short stacking energy: -77.701
Base-Backbone interact. energy: -0.547
local terms energy: -78.828163
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 1.587 (S_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: 441
Temperature: 1.000000
Total energy: -231.422396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.422396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.546887 (E_RNA)
where:
Base-Base interactions energy: -153.435
where: short stacking energy: -88.946
Base-Backbone interact. energy: -0.642
local terms energy: -77.470005
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -21.084
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: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -204.028097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.028097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.761456 (E_RNA)
where:
Base-Base interactions energy: -127.620
where: short stacking energy: -69.566
Base-Backbone interact. energy: -0.017
local terms energy: -77.124627
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -229.835846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.835846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.879443 (E_RNA)
where:
Base-Base interactions energy: -149.906
where: short stacking energy: -78.493
Base-Backbone interact. energy: -0.001
local terms energy: -79.972134
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -20.596
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: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -179.265316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.265316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.464883 (E_RNA)
where:
Base-Base interactions energy: -109.596
where: short stacking energy: -68.686
Base-Backbone interact. energy: -0.003
local terms energy: -69.865534
where:
bonds (distance) C4'-P energy: -9.879
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -18.099
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -159.041319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.041319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.437602 (E_RNA)
where:
Base-Base interactions energy: -94.988
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.255
local terms energy: -64.194514
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -13.306
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -160.914072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.914072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.044384 (E_RNA)
where:
Base-Base interactions energy: -101.714
where: short stacking energy: -58.151
Base-Backbone interact. energy: 0.088
local terms energy: -59.418247
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: -8.397
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -156.269039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.269039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.841964 (E_RNA)
where:
Base-Base interactions energy: -91.999
where: short stacking energy: -46.430
Base-Backbone interact. energy: -0.034
local terms energy: -64.809020
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -8.898
Dist. restrs. and SS energy: 0.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -157.628896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.628896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.193365 (E_RNA)
where:
Base-Base interactions energy: -97.759
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.129
local terms energy: -60.305410
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.564 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -238.678795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.678795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.681497 (E_RNA)
where:
Base-Base interactions energy: -160.448
where: short stacking energy: -86.258
Base-Backbone interact. energy: -0.052
local terms energy: -78.181872
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -22.647
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: 10
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -225.219464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.219464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.547127 (E_RNA)
where:
Base-Base interactions energy: -139.694
where: short stacking energy: -79.118
Base-Backbone interact. energy: -1.847
local terms energy: -84.006291
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -24.003
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: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -236.660381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.660381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.702094 (E_RNA)
where:
Base-Base interactions energy: -151.771
where: short stacking energy: -85.403
Base-Backbone interact. energy: 0.153
local terms energy: -85.083833
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -22.759
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: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -183.069733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.069733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.275056 (E_RNA)
where:
Base-Base interactions energy: -114.167
where: short stacking energy: -63.648
Base-Backbone interact. energy: -0.007
local terms energy: -69.100663
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -12.387
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: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -227.224539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.224539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.242102 (E_RNA)
where:
Base-Base interactions energy: -149.534
where: short stacking energy: -81.634
Base-Backbone interact. energy: -0.012
local terms energy: -77.696626
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -21.365
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: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -177.418763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.418763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.432010 (E_RNA)
where:
Base-Base interactions energy: -102.127
where: short stacking energy: -54.363
Base-Backbone interact. energy: -0.094
local terms energy: -75.210749
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -16.897
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: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -168.115320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.115320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.731180 (E_RNA)
where:
Base-Base interactions energy: -101.698
where: short stacking energy: -62.649
Base-Backbone interact. energy: 0.186
local terms energy: -67.219128
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -176.062515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.062515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.598655 (E_RNA)
where:
Base-Base interactions energy: -108.750
where: short stacking energy: -65.081
Base-Backbone interact. energy: -0.169
local terms energy: -67.679548
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.536 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -147.022963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.022963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.548999 (E_RNA)
where:
Base-Base interactions energy: -85.998
where: short stacking energy: -49.806
Base-Backbone interact. energy: -0.183
local terms energy: -61.367905
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -152.901999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.901999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.964417 (E_RNA)
where:
Base-Base interactions energy: -95.649
where: short stacking energy: -51.606
Base-Backbone interact. energy: -0.200
local terms energy: -57.115408
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -9.316
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: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -222.643715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.643715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.236361 (E_RNA)
where:
Base-Base interactions energy: -144.198
where: short stacking energy: -77.755
Base-Backbone interact. energy: -0.096
local terms energy: -78.942779
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -238.691114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.691114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.703499 (E_RNA)
where:
Base-Base interactions energy: -151.377
where: short stacking energy: -80.934
Base-Backbone interact. energy: -0.001
local terms energy: -87.325326
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -22.672
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: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -222.230623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.230623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.726339 (E_RNA)
where:
Base-Base interactions energy: -148.922
where: short stacking energy: -60.093
Base-Backbone interact. energy: -0.198
local terms energy: -74.606188
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 1.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -190.132128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.132128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.152170 (E_RNA)
where:
Base-Base interactions energy: -117.321
where: short stacking energy: -71.809
Base-Backbone interact. energy: -0.037
local terms energy: -72.793762
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -16.530
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: 443
Temperature: 1.100000
Total energy: -172.080629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.080629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.080629 (E_RNA)
where:
Base-Base interactions energy: -108.580
where: short stacking energy: -63.224
Base-Backbone interact. energy: 0.296
local terms energy: -63.795947
where:
bonds (distance) C4'-P energy: -8.369
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -11.850
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: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -169.950739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.950739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.028732 (E_RNA)
where:
Base-Base interactions energy: -94.283
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.023
local terms energy: -75.722693
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -14.865
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: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -185.842069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.842069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.096653 (E_RNA)
where:
Base-Base interactions energy: -120.163
where: short stacking energy: -67.587
Base-Backbone interact. energy: -0.642
local terms energy: -65.291537
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.255 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -168.856129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.856129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.320010 (E_RNA)
where:
Base-Base interactions energy: -112.665
where: short stacking energy: -70.681
Base-Backbone interact. energy: -0.199
local terms energy: -57.455993
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -9.525
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 1.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -180.404106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.404106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.404106 (E_RNA)
where:
Base-Base interactions energy: -110.994
where: short stacking energy: -62.314
Base-Backbone interact. energy: -0.071
local terms energy: -69.338240
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -6.780
tors. eta vs tors. theta energy: -17.369
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: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -145.921599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.921599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.933501 (E_RNA)
where:
Base-Base interactions energy: -86.748
where: short stacking energy: -41.103
Base-Backbone interact. energy: -0.409
local terms energy: -58.775859
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -6.274
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: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -240.275142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.275142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.297088 (E_RNA)
where:
Base-Base interactions energy: -150.184
where: short stacking energy: -87.618
Base-Backbone interact. energy: -0.097
local terms energy: -90.016324
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -24.493
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: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -222.429652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.429652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.595368 (E_RNA)
where:
Base-Base interactions energy: -141.408
where: short stacking energy: -77.436
Base-Backbone interact. energy: -0.335
local terms energy: -80.852456
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -200.662804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.662804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.980741 (E_RNA)
where:
Base-Base interactions energy: -126.357
where: short stacking energy: -58.470
Base-Backbone interact. energy: -0.215
local terms energy: -74.408132
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -12.946
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: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -192.136587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.136587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.178910 (E_RNA)
where:
Base-Base interactions energy: -114.651
where: short stacking energy: -68.918
Base-Backbone interact. energy: -0.036
local terms energy: -77.492288
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -175.652765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.652765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.810955 (E_RNA)
where:
Base-Base interactions energy: -99.353
where: short stacking energy: -61.536
Base-Backbone interact. energy: -1.067
local terms energy: -75.390905
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -188.084921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.084921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.632167 (E_RNA)
where:
Base-Base interactions energy: -120.063
where: short stacking energy: -53.361
Base-Backbone interact. energy: -0.176
local terms energy: -68.393319
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -174.575553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.575553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.743924 (E_RNA)
where:
Base-Base interactions energy: -103.055
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.144
local terms energy: -71.544934
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -14.947
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: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -188.256558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.256558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.283789 (E_RNA)
where:
Base-Base interactions energy: -121.523
where: short stacking energy: -72.134
Base-Backbone interact. energy: -0.091
local terms energy: -66.669701
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -18.665
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: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -155.443023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.443023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.493201 (E_RNA)
where:
Base-Base interactions energy: -94.743
where: short stacking energy: -47.659
Base-Backbone interact. energy: -1.358
local terms energy: -59.392870
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -9.711
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: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -151.503485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.503485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.793786 (E_RNA)
where:
Base-Base interactions energy: -91.068
where: short stacking energy: -47.871
Base-Backbone interact. energy: 2.424
local terms energy: -64.149587
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 1.290 (S_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: 445
Temperature: 0.900000
Total energy: -245.192272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.192272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.277822 (E_RNA)
where:
Base-Base interactions energy: -157.883
where: short stacking energy: -90.340
Base-Backbone interact. energy: -0.044
local terms energy: -87.350644
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -23.439
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: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -240.734611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.734611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.775431 (E_RNA)
where:
Base-Base interactions energy: -155.095
where: short stacking energy: -81.857
Base-Backbone interact. energy: -0.010
local terms energy: -85.671288
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -23.522
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: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -203.005138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.005138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.651087 (E_RNA)
where:
Base-Base interactions energy: -138.379
where: short stacking energy: -59.842
Base-Backbone interact. energy: -0.102
local terms energy: -65.169643
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -11.218
Dist. restrs. and SS energy: 0.646 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -178.493674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.493674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.914358 (E_RNA)
where:
Base-Base interactions energy: -108.438
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.753
local terms energy: -69.723428
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.727
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -180.415418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.415418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.462349 (E_RNA)
where:
Base-Base interactions energy: -113.984
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.004
local terms energy: -66.473837
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -13.841
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: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -188.039000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.039000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.039000 (E_RNA)
where:
Base-Base interactions energy: -116.125
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.211
local terms energy: -71.702580
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (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: 445
Temperature: 1.200000
Total energy: -168.655158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.655158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.003947 (E_RNA)
where:
Base-Base interactions energy: -108.136
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.403
local terms energy: -60.465537
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -11.643
Dist. restrs. and SS energy: 0.349 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -155.925421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.925421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.981047 (E_RNA)
where:
Base-Base interactions energy: -97.379
where: short stacking energy: -53.353
Base-Backbone interact. energy: -0.001
local terms energy: -58.600920
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -12.227
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: 445
Temperature: 1.300000
Total energy: -160.352743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.352743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.526281 (E_RNA)
where:
Base-Base interactions energy: -103.300
where: short stacking energy: -55.028
Base-Backbone interact. energy: -0.096
local terms energy: -57.130928
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -13.056
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -158.665674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.665674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.731343 (E_RNA)
where:
Base-Base interactions energy: -92.590
where: short stacking energy: -49.344
Base-Backbone interact. energy: -0.808
local terms energy: -65.333907
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -14.722
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: 446
Temperature: 0.900000
Total energy: -239.616674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.616674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.174091 (E_RNA)
where:
Base-Base interactions energy: -155.582
where: short stacking energy: -79.645
Base-Backbone interact. energy: -0.562
local terms energy: -84.030666
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -23.376
Dist. restrs. and SS energy: 0.557 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -237.349349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.349349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.438896 (E_RNA)
where:
Base-Base interactions energy: -152.448
where: short stacking energy: -83.847
Base-Backbone interact. energy: -0.005
local terms energy: -84.986125
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -23.143
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -196.004535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.004535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.208905 (E_RNA)
where:
Base-Base interactions energy: -130.198
where: short stacking energy: -56.203
Base-Backbone interact. energy: -0.103
local terms energy: -66.907590
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 1.204 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -193.215423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.215423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.299473 (E_RNA)
where:
Base-Base interactions energy: -115.212
where: short stacking energy: -73.984
Base-Backbone interact. energy: 0.690
local terms energy: -78.777578
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -20.413
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: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -192.316721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.316721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.344463 (E_RNA)
where:
Base-Base interactions energy: -124.509
where: short stacking energy: -71.765
Base-Backbone interact. energy: -0.147
local terms energy: -67.688866
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -15.775
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: 8
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -187.933222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.933222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.174553 (E_RNA)
where:
Base-Base interactions energy: -112.534
where: short stacking energy: -72.607
Base-Backbone interact. energy: -0.033
local terms energy: -75.607828
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -19.054
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: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -194.819537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.819537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.104941 (E_RNA)
where:
Base-Base interactions energy: -125.236
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.000
local terms energy: -70.868803
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 1.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -177.991925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.991925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.041863 (E_RNA)
where:
Base-Base interactions energy: -121.525
where: short stacking energy: -62.426
Base-Backbone interact. energy: -0.631
local terms energy: -55.886106
where:
bonds (distance) C4'-P energy: -5.945
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -9.277
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: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -163.338560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.338560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.130354 (E_RNA)
where:
Base-Base interactions energy: -105.211
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.218
local terms energy: -58.700877
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -152.756886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.756886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.229451 (E_RNA)
where:
Base-Base interactions energy: -94.911
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.469
local terms energy: -57.849147
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -7.501
Dist. restrs. and SS energy: 0.473 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -239.341339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.341339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.392936 (E_RNA)
where:
Base-Base interactions energy: -154.713
where: short stacking energy: -78.417
Base-Backbone interact. energy: 0.040
local terms energy: -85.720527
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 1.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -232.037501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.037501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.218846 (E_RNA)
where:
Base-Base interactions energy: -149.694
where: short stacking energy: -75.502
Base-Backbone interact. energy: -0.004
local terms energy: -82.521567
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -229.333605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.333605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.434140 (E_RNA)
where:
Base-Base interactions energy: -148.162
where: short stacking energy: -80.472
Base-Backbone interact. energy: -0.024
local terms energy: -81.248659
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -21.498
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: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -179.651784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.651784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.682206 (E_RNA)
where:
Base-Base interactions energy: -112.688
where: short stacking energy: -72.211
Base-Backbone interact. energy: -0.090
local terms energy: -66.904291
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -13.336
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: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -202.898602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.898602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.953016 (E_RNA)
where:
Base-Base interactions energy: -139.441
where: short stacking energy: -76.649
Base-Backbone interact. energy: -0.031
local terms energy: -63.480782
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -8.518
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -18.147
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: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -175.689928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.689928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.924087 (E_RNA)
where:
Base-Base interactions energy: -106.397
where: short stacking energy: -67.328
Base-Backbone interact. energy: -0.000
local terms energy: -69.526695
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -14.556
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: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -182.429636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.429636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.449919 (E_RNA)
where:
Base-Base interactions energy: -114.570
where: short stacking energy: -62.727
Base-Backbone interact. energy: -0.184
local terms energy: -67.695991
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -15.782
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: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -171.710036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.710036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.719268 (E_RNA)
where:
Base-Base interactions energy: -101.174
where: short stacking energy: -58.975
Base-Backbone interact. energy: -0.002
local terms energy: -70.543217
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -15.541
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: 447
Temperature: 1.300000
Total energy: -165.973991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.973991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.261342 (E_RNA)
where:
Base-Base interactions energy: -106.964
where: short stacking energy: -64.079
Base-Backbone interact. energy: -0.098
local terms energy: -59.199875
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -13.178
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: 447
Temperature: 1.350000
Total energy: -134.413035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.413035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.678715 (E_RNA)
where:
Base-Base interactions energy: -83.838
where: short stacking energy: -45.434
Base-Backbone interact. energy: -0.415
local terms energy: -50.425714
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -8.443
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: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -245.660466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.660466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.663963 (E_RNA)
where:
Base-Base interactions energy: -159.490
where: short stacking energy: -84.882
Base-Backbone interact. energy: -0.000
local terms energy: -86.174031
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -21.477
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: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -226.223944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.223944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.812803 (E_RNA)
where:
Base-Base interactions energy: -142.474
where: short stacking energy: -73.740
Base-Backbone interact. energy: -0.334
local terms energy: -84.004584
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -19.816
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -232.234670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.234670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.274870 (E_RNA)
where:
Base-Base interactions energy: -149.733
where: short stacking energy: -80.217
Base-Backbone interact. energy: -0.075
local terms energy: -82.467313
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -25.782
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: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -197.382254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.382254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.423035 (E_RNA)
where:
Base-Base interactions energy: -123.072
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.002
local terms energy: -74.348769
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -18.023
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: 2
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -206.222368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.222368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.230141 (E_RNA)
where:
Base-Base interactions energy: -132.572
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.712
local terms energy: -72.946566
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -15.416
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -17.367
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: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -170.795871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.795871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.890478 (E_RNA)
where:
Base-Base interactions energy: -101.999
where: short stacking energy: -48.891
Base-Backbone interact. energy: -0.167
local terms energy: -68.724689
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -13.179
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: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -174.581688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.581688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.701962 (E_RNA)
where:
Base-Base interactions energy: -100.216
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.163
local terms energy: -74.322894
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -16.977
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: 448
Temperature: 1.250000
Total energy: -161.166608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.166608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.235278 (E_RNA)
where:
Base-Base interactions energy: -93.314
where: short stacking energy: -50.107
Base-Backbone interact. energy: -0.226
local terms energy: -67.694548
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -13.079
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: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -153.059919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.059919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.094102 (E_RNA)
where:
Base-Base interactions energy: -91.370
where: short stacking energy: -44.354
Base-Backbone interact. energy: -0.941
local terms energy: -60.782643
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -6.819
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: 10, replica: 4
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -155.360400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.360400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.442483 (E_RNA)
where:
Base-Base interactions energy: -84.967
where: short stacking energy: -36.556
Base-Backbone interact. energy: -1.428
local terms energy: -69.047927
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -7.346
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: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -246.522328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.522328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.531027 (E_RNA)
where:
Base-Base interactions energy: -162.175
where: short stacking energy: -82.584
Base-Backbone interact. energy: -0.486
local terms energy: -83.870272
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -21.075
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: 449
Temperature: 0.950000
Total energy: -233.230461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.230461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.295766 (E_RNA)
where:
Base-Base interactions energy: -151.160
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.078
local terms energy: -82.057629
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -20.216
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: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -195.008524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.008524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.813785 (E_RNA)
where:
Base-Base interactions energy: -129.247
where: short stacking energy: -73.876
Base-Backbone interact. energy: -0.014
local terms energy: -66.552714
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.805 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -206.165928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.165928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.401977 (E_RNA)
where:
Base-Base interactions energy: -135.633
where: short stacking energy: -69.627
Base-Backbone interact. energy: -0.826
local terms energy: -69.943348
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -11.738
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -18.481
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -199.166219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.166219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.352440 (E_RNA)
where:
Base-Base interactions energy: -116.614
where: short stacking energy: -62.797
Base-Backbone interact. energy: -0.523
local terms energy: -82.215316
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -186.106751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.106751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.157480 (E_RNA)
where:
Base-Base interactions energy: -117.569
where: short stacking energy: -73.383
Base-Backbone interact. energy: -0.012
local terms energy: -68.577024
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -16.730
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: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -172.221910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.221910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.245723 (E_RNA)
where:
Base-Base interactions energy: -107.298
where: short stacking energy: -59.835
Base-Backbone interact. energy: -0.553
local terms energy: -64.394897
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -15.816
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: 3
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -154.020690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.020690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.668674 (E_RNA)
where:
Base-Base interactions energy: -86.358
where: short stacking energy: -45.539
Base-Backbone interact. energy: -0.311
local terms energy: -68.000026
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -8.493
Dist. restrs. and SS energy: 0.648 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -149.830731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.830731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.874552 (E_RNA)
where:
Base-Base interactions energy: -92.443
where: short stacking energy: -53.894
Base-Backbone interact. energy: -0.165
local terms energy: -57.266796
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -9.974
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: 4
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -159.065746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.065746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.209284 (E_RNA)
where:
Base-Base interactions energy: -93.099
where: short stacking energy: -46.778
Base-Backbone interact. energy: 1.074
local terms energy: -67.184478
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -9.229
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: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -233.100313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.100313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.375516 (E_RNA)
where:
Base-Base interactions energy: -148.745
where: short stacking energy: -81.395
Base-Backbone interact. energy: -0.001
local terms energy: -84.630114
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.275 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -228.065732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.065732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.640095 (E_RNA)
where:
Base-Base interactions energy: -144.255
where: short stacking energy: -80.695
Base-Backbone interact. energy: -0.679
local terms energy: -85.706719
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -21.240
Dist. restrs. and SS energy: 2.574 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -219.087711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.087711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.170762 (E_RNA)
where:
Base-Base interactions energy: -138.558
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.022
local terms energy: -81.590712
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -20.256
Dist. restrs. and SS energy: 1.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -199.508389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.508389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.473025 (E_RNA)
where:
Base-Base interactions energy: -123.928
where: short stacking energy: -56.364
Base-Backbone interact. energy: -0.004
local terms energy: -76.540503
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.965 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -202.858943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.858943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.858943 (E_RNA)
where:
Base-Base interactions energy: -125.363
where: short stacking energy: -80.500
Base-Backbone interact. energy: -0.031
local terms energy: -77.465821
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -17.851
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: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -174.924761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.924761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.941333 (E_RNA)
where:
Base-Base interactions energy: -111.039
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.105
local terms energy: -63.796972
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -11.457
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: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -165.382685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.382685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.437456 (E_RNA)
where:
Base-Base interactions energy: -99.806
where: short stacking energy: -52.606
Base-Backbone interact. energy: -0.974
local terms energy: -64.657570
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -10.378
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: 3
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -163.142310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.142310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.155510 (E_RNA)
where:
Base-Base interactions energy: -97.592
where: short stacking energy: -48.718
Base-Backbone interact. energy: -0.830
local terms energy: -64.733510
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -12.300
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: 6
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -172.903787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.903787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.948586 (E_RNA)
where:
Base-Base interactions energy: -108.798
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.048
local terms energy: -64.102359
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -8.047
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -15.540
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: 4
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -161.709780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.709780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.709780 (E_RNA)
where:
Base-Base interactions energy: -93.132
where: short stacking energy: -53.414
Base-Backbone interact. energy: -1.679
local terms energy: -66.898424
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -11.827
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: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -243.798821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.798821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.798821 (E_RNA)
where:
Base-Base interactions energy: -158.344
where: short stacking energy: -87.173
Base-Backbone interact. energy: -0.659
local terms energy: -84.795750
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -20.791
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: 451
Temperature: 0.950000
Total energy: -236.835495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.835495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.842163 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -86.577
Base-Backbone interact. energy: -0.012
local terms energy: -84.182746
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -25.074
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: 451
Temperature: 1.000000
Total energy: -204.710792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.710792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.803078 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -69.607
Base-Backbone interact. energy: -0.109
local terms energy: -81.209656
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 1.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -213.321102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.321102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.341943 (E_RNA)
where:
Base-Base interactions energy: -132.656
where: short stacking energy: -70.255
Base-Backbone interact. energy: -0.424
local terms energy: -80.262279
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -18.844
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: 451
Temperature: 1.100000
Total energy: -183.577779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.577779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.586143 (E_RNA)
where:
Base-Base interactions energy: -112.867
where: short stacking energy: -70.648
Base-Backbone interact. energy: -0.628
local terms energy: -70.091294
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -17.305
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: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -164.801025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.801025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.245790 (E_RNA)
where:
Base-Base interactions energy: -100.189
where: short stacking energy: -52.934
Base-Backbone interact. energy: -0.820
local terms energy: -64.236142
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -170.270287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.270287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.425251 (E_RNA)
where:
Base-Base interactions energy: -99.063
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.019
local terms energy: -71.343076
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -14.627
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: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -157.108343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.108343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.238705 (E_RNA)
where:
Base-Base interactions energy: -102.032
where: short stacking energy: -45.790
Base-Backbone interact. energy: -0.135
local terms energy: -55.071511
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -155.379118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.379118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.571079 (E_RNA)
where:
Base-Base interactions energy: -98.384
where: short stacking energy: -52.031
Base-Backbone interact. energy: -0.150
local terms energy: -57.037702
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -5.500
tors. eta vs tors. theta energy: -8.765
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: 4
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -153.060604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.060604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.125961 (E_RNA)
where:
Base-Base interactions energy: -91.435
where: short stacking energy: -51.676
Base-Backbone interact. energy: -0.087
local terms energy: -61.604326
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -10.712
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: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -243.971274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.971274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.165918 (E_RNA)
where:
Base-Base interactions energy: -157.476
where: short stacking energy: -86.242
Base-Backbone interact. energy: -0.033
local terms energy: -86.656841
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -25.372
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: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -238.083882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.083882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.093792 (E_RNA)
where:
Base-Base interactions energy: -157.886
where: short stacking energy: -85.061
Base-Backbone interact. energy: -0.219
local terms energy: -79.989051
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -22.120
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: 452
Temperature: 1.000000
Total energy: -226.423592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.423592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.477109 (E_RNA)
where:
Base-Base interactions energy: -152.615
where: short stacking energy: -69.096
Base-Backbone interact. energy: -0.296
local terms energy: -73.566347
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -185.999909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.999909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.031808 (E_RNA)
where:
Base-Base interactions energy: -119.916
where: short stacking energy: -63.483
Base-Backbone interact. energy: -0.643
local terms energy: -65.473039
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -11.825
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: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -183.773580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.773580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.773580 (E_RNA)
where:
Base-Base interactions energy: -121.067
where: short stacking energy: -66.215
Base-Backbone interact. energy: -0.063
local terms energy: -62.644053
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (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: 452
Temperature: 1.150000
Total energy: -173.324467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.324467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.569332 (E_RNA)
where:
Base-Base interactions energy: -108.757
where: short stacking energy: -67.523
Base-Backbone interact. energy: -0.849
local terms energy: -63.963161
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -16.414
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: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -187.076539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.076539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.668362 (E_RNA)
where:
Base-Base interactions energy: -122.511
where: short stacking energy: -52.064
Base-Backbone interact. energy: -0.439
local terms energy: -64.719001
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -11.646
Dist. restrs. and SS energy: 0.592 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -161.635397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.635397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.815046 (E_RNA)
where:
Base-Base interactions energy: -97.471
where: short stacking energy: -52.892
Base-Backbone interact. energy: 0.347
local terms energy: -64.690875
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -13.728
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: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -150.411456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.411456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.438761 (E_RNA)
where:
Base-Base interactions energy: -85.813
where: short stacking energy: -42.507
Base-Backbone interact. energy: -0.029
local terms energy: -64.597129
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -11.680
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: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -147.399025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.399025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.066364 (E_RNA)
where:
Base-Base interactions energy: -88.368
where: short stacking energy: -44.371
Base-Backbone interact. energy: -0.392
local terms energy: -59.307086
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -6.407
Dist. restrs. and SS energy: 0.667 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -243.612457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.612457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.653087 (E_RNA)
where:
Base-Base interactions energy: -159.937
where: short stacking energy: -92.129
Base-Backbone interact. energy: -0.088
local terms energy: -83.628245
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -24.175
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: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -236.237059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.237059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.275989 (E_RNA)
where:
Base-Base interactions energy: -151.079
where: short stacking energy: -81.397
Base-Backbone interact. energy: -0.078
local terms energy: -85.118425
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -22.657
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: 453
Temperature: 1.000000
Total energy: -212.049094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.049094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.663273 (E_RNA)
where:
Base-Base interactions energy: -137.251
where: short stacking energy: -73.463
Base-Backbone interact. energy: -0.008
local terms energy: -75.403946
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -19.961
Dist. restrs. and SS energy: 0.614 (S_DIST_RNA)
chem. 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: -185.673722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.673722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.863050 (E_RNA)
where:
Base-Base interactions energy: -113.404
where: short stacking energy: -76.903
Base-Backbone interact. energy: -0.047
local terms energy: -72.412357
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -19.308
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: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -173.458213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.458213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.491595 (E_RNA)
where:
Base-Base interactions energy: -108.605
where: short stacking energy: -68.891
Base-Backbone interact. energy: -0.310
local terms energy: -64.576264
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -12.763
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: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -170.344112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.344112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.407105 (E_RNA)
where:
Base-Base interactions energy: -102.054
where: short stacking energy: -62.803
Base-Backbone interact. energy: -1.566
local terms energy: -66.786519
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -16.161
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: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -169.828368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.828368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.982010 (E_RNA)
where:
Base-Base interactions energy: -107.836
where: short stacking energy: -66.979
Base-Backbone interact. energy: 0.211
local terms energy: -62.356928
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -12.261
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: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -161.293481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.293481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.298988 (E_RNA)
where:
Base-Base interactions energy: -94.910
where: short stacking energy: -51.589
Base-Backbone interact. energy: -0.199
local terms energy: -66.190155
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -9.341
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: 453
Temperature: 1.300000
Total energy: -147.608145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.608145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.836508 (E_RNA)
where:
Base-Base interactions energy: -92.886
where: short stacking energy: -47.303
Base-Backbone interact. energy: -0.216
local terms energy: -54.734406
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -4.952
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: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -180.484602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.484602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.489186 (E_RNA)
where:
Base-Base interactions energy: -112.928
where: short stacking energy: -57.747
Base-Backbone interact. energy: 0.605
local terms energy: -69.166068
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 1.005 (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: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -234.396503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.396503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.526651 (E_RNA)
where:
Base-Base interactions energy: -158.389
where: short stacking energy: -87.055
Base-Backbone interact. energy: -0.042
local terms energy: -76.095714
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -21.393
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: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -244.996692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.996692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.011215 (E_RNA)
where:
Base-Base interactions energy: -158.154
where: short stacking energy: -85.108
Base-Backbone interact. energy: -1.332
local terms energy: -85.525671
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -23.544
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: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -197.953474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.953474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.060598 (E_RNA)
where:
Base-Base interactions energy: -118.285
where: short stacking energy: -73.922
Base-Backbone interact. energy: -0.493
local terms energy: -79.283293
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -227.303465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.303465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.376573 (E_RNA)
where:
Base-Base interactions energy: -154.887
where: short stacking energy: -77.014
Base-Backbone interact. energy: -0.001
local terms energy: -72.488808
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -20.208
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: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -156.592853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.592853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.402790 (E_RNA)
where:
Base-Base interactions energy: -89.359
where: short stacking energy: -47.793
Base-Backbone interact. energy: 3.495
local terms energy: -71.538653
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.810 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -185.799600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.799600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.556070 (E_RNA)
where:
Base-Base interactions energy: -117.520
where: short stacking energy: -60.259
Base-Backbone interact. energy: -0.097
local terms energy: -68.938262
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -12.401
Dist. restrs. and SS energy: 0.756 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -188.203516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.203516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.204841 (E_RNA)
where:
Base-Base interactions energy: -118.182
where: short stacking energy: -50.312
Base-Backbone interact. energy: -0.278
local terms energy: -69.745321
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -11.038
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: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -171.380627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.380627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.646858 (E_RNA)
where:
Base-Base interactions energy: -100.667
where: short stacking energy: -63.643
Base-Backbone interact. energy: -0.303
local terms energy: -70.676516
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -13.447
tors. eta vs tors. theta energy: -17.794
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: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -158.254194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.254194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.323739 (E_RNA)
where:
Base-Base interactions energy: -96.511
where: short stacking energy: -54.233
Base-Backbone interact. energy: -0.114
local terms energy: -61.698393
where:
bonds (distance) C4'-P energy: -5.565
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -12.595
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: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -150.445776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.445776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.533585 (E_RNA)
where:
Base-Base interactions energy: -92.109
where: short stacking energy: -37.993
Base-Backbone interact. energy: -0.608
local terms energy: -57.816110
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -6.736
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: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -247.899522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.899522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.119221 (E_RNA)
where:
Base-Base interactions energy: -159.661
where: short stacking energy: -79.526
Base-Backbone interact. energy: -1.489
local terms energy: -86.969534
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -226.253156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.253156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.276929 (E_RNA)
where:
Base-Base interactions energy: -146.170
where: short stacking energy: -72.630
Base-Backbone interact. energy: -0.275
local terms energy: -79.832044
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -21.080
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: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -205.437036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.437036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.517782 (E_RNA)
where:
Base-Base interactions energy: -136.161
where: short stacking energy: -54.187
Base-Backbone interact. energy: -0.183
local terms energy: -70.173541
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 1.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -229.650649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.650649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.712656 (E_RNA)
where:
Base-Base interactions energy: -147.333
where: short stacking energy: -76.290
Base-Backbone interact. energy: -0.238
local terms energy: -82.140827
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -167.511127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.511127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.689762 (E_RNA)
where:
Base-Base interactions energy: -95.037
where: short stacking energy: -55.178
Base-Backbone interact. energy: -0.732
local terms energy: -71.920644
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 0.179 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -177.024782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.024782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.086604 (E_RNA)
where:
Base-Base interactions energy: -103.447
where: short stacking energy: -66.549
Base-Backbone interact. energy: -0.110
local terms energy: -73.529747
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -15.147
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: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -179.450333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.341403 (E_RNA)
where:
Base-Base interactions energy: -119.065
where: short stacking energy: -57.291
Base-Backbone interact. energy: -0.091
local terms energy: -62.185859
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 1.891 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -174.152221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.152221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.277378 (E_RNA)
where:
Base-Base interactions energy: -106.118
where: short stacking energy: -64.864
Base-Backbone interact. energy: -0.317
local terms energy: -67.842321
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -20.003
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: 6
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -157.920439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.920439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.342992 (E_RNA)
where:
Base-Base interactions energy: -97.147
where: short stacking energy: -62.018
Base-Backbone interact. energy: -0.041
local terms energy: -61.155647
where:
bonds (distance) C4'-P energy: -8.212
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -12.422
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -143.734751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.734751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.781086 (E_RNA)
where:
Base-Base interactions energy: -91.860
where: short stacking energy: -49.439
Base-Backbone interact. energy: -0.036
local terms energy: -51.885355
where:
bonds (distance) C4'-P energy: -8.455
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -9.999
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: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -245.204831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.204831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.336037 (E_RNA)
where:
Base-Base interactions energy: -156.154
where: short stacking energy: -89.150
Base-Backbone interact. energy: -0.007
local terms energy: -89.174629
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -23.186
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: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -230.613793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.613793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.014721 (E_RNA)
where:
Base-Base interactions energy: -150.211
where: short stacking energy: -86.215
Base-Backbone interact. energy: -0.014
local terms energy: -81.789559
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 1.401 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -221.793292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.793292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.627337 (E_RNA)
where:
Base-Base interactions energy: -144.791
where: short stacking energy: -83.760
Base-Backbone interact. energy: 1.306
local terms energy: -79.142273
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -218.029020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.029020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.594814 (E_RNA)
where:
Base-Base interactions energy: -144.280
where: short stacking energy: -72.751
Base-Backbone interact. energy: -0.078
local terms energy: -74.236676
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -19.228
Dist. restrs. and SS energy: 0.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -179.021317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.021317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.083388 (E_RNA)
where:
Base-Base interactions energy: -107.251
where: short stacking energy: -59.362
Base-Backbone interact. energy: -0.040
local terms energy: -71.792940
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -11.912
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: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -168.456068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.456068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.653393 (E_RNA)
where:
Base-Base interactions energy: -109.640
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.006
local terms energy: -59.007757
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -10.100
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: 7, replica: 2
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -154.704659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.704659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.875614 (E_RNA)
where:
Base-Base interactions energy: -92.802
where: short stacking energy: -51.732
Base-Backbone interact. energy: -0.358
local terms energy: -63.715548
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 2.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -168.650222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.650222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.724319 (E_RNA)
where:
Base-Base interactions energy: -99.199
where: short stacking energy: -51.452
Base-Backbone interact. energy: -0.032
local terms energy: -69.493643
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -12.823
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: 456
Temperature: 1.300000
Total energy: -156.216118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.216118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.343795 (E_RNA)
where:
Base-Base interactions energy: -94.609
where: short stacking energy: -55.166
Base-Backbone interact. energy: -0.024
local terms energy: -61.711361
where:
bonds (distance) C4'-P energy: -8.989
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -13.827
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: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -151.034495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.034495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.236161 (E_RNA)
where:
Base-Base interactions energy: -88.156
where: short stacking energy: -54.014
Base-Backbone interact. energy: -0.438
local terms energy: -62.642233
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -16.487
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -8.584
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: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -247.487081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.487081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.487081 (E_RNA)
where:
Base-Base interactions energy: -161.530
where: short stacking energy: -88.022
Base-Backbone interact. energy: 1.601
local terms energy: -87.558276
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -23.213
Dist. restrs. and SS energy: -0.000 (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: 457
Temperature: 0.950000
Total energy: -230.825701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.825701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.825701 (E_RNA)
where:
Base-Base interactions energy: -148.437
where: short stacking energy: -82.310
Base-Backbone interact. energy: -0.042
local terms energy: -82.347223
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -19.356
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: 3, replica: 9
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -224.104954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.104954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.307590 (E_RNA)
where:
Base-Base interactions energy: -145.784
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.963
local terms energy: -78.560500
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 1.203 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -215.626037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.626037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.844096 (E_RNA)
where:
Base-Base interactions energy: -145.119
where: short stacking energy: -80.049
Base-Backbone interact. energy: -0.238
local terms energy: -70.487107
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -7.509
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -22.400
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: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -175.577535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.577535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.611119 (E_RNA)
where:
Base-Base interactions energy: -107.261
where: short stacking energy: -62.811
Base-Backbone interact. energy: -0.085
local terms energy: -68.264844
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -15.434
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: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -164.744908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.744908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.846711 (E_RNA)
where:
Base-Base interactions energy: -96.644
where: short stacking energy: -52.166
Base-Backbone interact. energy: -0.845
local terms energy: -67.357882
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -8.372
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: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -165.017538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.017538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.022887 (E_RNA)
where:
Base-Base interactions energy: -104.608
where: short stacking energy: -53.587
Base-Backbone interact. energy: -1.818
local terms energy: -58.596593
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -11.430
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: 457
Temperature: 1.250000
Total energy: -175.236611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.236611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.457042 (E_RNA)
where:
Base-Base interactions energy: -107.543
where: short stacking energy: -60.649
Base-Backbone interact. energy: -1.080
local terms energy: -66.833777
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -14.829
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: 457
Temperature: 1.300000
Total energy: -168.057113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.057113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.742309 (E_RNA)
where:
Base-Base interactions energy: -109.996
where: short stacking energy: -58.262
Base-Backbone interact. energy: -0.018
local terms energy: -58.728588
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -10.728
Dist. restrs. and SS energy: 0.685 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -168.014949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.014949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.140825 (E_RNA)
where:
Base-Base interactions energy: -100.213
where: short stacking energy: -47.874
Base-Backbone interact. energy: 0.030
local terms energy: -67.957328
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -9.475
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: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -244.248612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.248612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.934909 (E_RNA)
where:
Base-Base interactions energy: -161.063
where: short stacking energy: -90.397
Base-Backbone interact. energy: 0.330
local terms energy: -84.202148
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -236.008251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.008251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.032287 (E_RNA)
where:
Base-Base interactions energy: -155.189
where: short stacking energy: -84.524
Base-Backbone interact. energy: 0.936
local terms energy: -81.779432
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -22.538
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: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -222.829694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.829694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.885116 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -77.910
Base-Backbone interact. energy: -0.608
local terms energy: -80.645365
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -21.777
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: 9
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -205.038870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.038870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.524390 (E_RNA)
where:
Base-Base interactions energy: -134.237
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.249
local terms energy: -72.038364
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 1.486 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -187.468007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.468007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.516464 (E_RNA)
where:
Base-Base interactions energy: -110.028
where: short stacking energy: -54.252
Base-Backbone interact. energy: -0.744
local terms energy: -76.744320
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -17.013
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: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -170.020678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.020678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.028505 (E_RNA)
where:
Base-Base interactions energy: -99.728
where: short stacking energy: -59.508
Base-Backbone interact. energy: -0.031
local terms energy: -70.269432
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -14.721
tors. eta vs tors. theta energy: -12.843
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: 458
Temperature: 1.200000
Total energy: -167.052933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.052933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.087694 (E_RNA)
where:
Base-Base interactions energy: -102.842
where: short stacking energy: -46.187
Base-Backbone interact. energy: -1.235
local terms energy: -63.010189
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -7.096
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: 458
Temperature: 1.250000
Total energy: -160.447903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.447903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.634983 (E_RNA)
where:
Base-Base interactions energy: -96.438
where: short stacking energy: -55.684
Base-Backbone interact. energy: -0.003
local terms energy: -64.193594
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -9.470
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: 3
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -153.249740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.249740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.284508 (E_RNA)
where:
Base-Base interactions energy: -94.202
where: short stacking energy: -43.448
Base-Backbone interact. energy: -2.043
local terms energy: -57.039243
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -8.398
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: 458
Temperature: 1.350000
Total energy: -156.438579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.438579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.446952 (E_RNA)
where:
Base-Base interactions energy: -93.284
where: short stacking energy: -52.218
Base-Backbone interact. energy: -0.198
local terms energy: -62.964636
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -11.807
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: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -232.580352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.580352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.782783 (E_RNA)
where:
Base-Base interactions energy: -157.798
where: short stacking energy: -86.288
Base-Backbone interact. energy: -0.006
local terms energy: -75.979098
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 1.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -229.190135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.190135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.226121 (E_RNA)
where:
Base-Base interactions energy: -148.672
where: short stacking energy: -82.914
Base-Backbone interact. energy: -0.018
local terms energy: -80.536536
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -22.679
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: 3, replica: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -197.345918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.345918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.131954 (E_RNA)
where:
Base-Base interactions energy: -117.672
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.053
local terms energy: -80.406834
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -219.255660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.255660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.484450 (E_RNA)
where:
Base-Base interactions energy: -138.464
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.288
local terms energy: -80.732943
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -22.187
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -192.728459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.728459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.765862 (E_RNA)
where:
Base-Base interactions energy: -122.911
where: short stacking energy: -60.661
Base-Backbone interact. energy: 0.258
local terms energy: -70.112757
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -14.407
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: 459
Temperature: 1.150000
Total energy: -176.610219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.610219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.624778 (E_RNA)
where:
Base-Base interactions energy: -106.832
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.172
local terms energy: -69.620848
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -15.023
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: 459
Temperature: 1.200000
Total energy: -176.751903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.751903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.814617 (E_RNA)
where:
Base-Base interactions energy: -113.146
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.039
local terms energy: -63.629764
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -4.771
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -16.681
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: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -162.645498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.645498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.875972 (E_RNA)
where:
Base-Base interactions energy: -94.253
where: short stacking energy: -54.875
Base-Backbone interact. energy: -0.079
local terms energy: -68.544096
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -151.655506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.660538 (E_RNA)
where:
Base-Base interactions energy: -91.059
where: short stacking energy: -45.283
Base-Backbone interact. energy: 1.160
local terms energy: -61.761952
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -9.556
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: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -138.863920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.863920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.879213 (E_RNA)
where:
Base-Base interactions energy: -84.490
where: short stacking energy: -41.057
Base-Backbone interact. energy: -0.186
local terms energy: -54.203051
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -7.292
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -7.716
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: 10
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -239.168917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.168917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.276140 (E_RNA)
where:
Base-Base interactions energy: -157.336
where: short stacking energy: -77.874
Base-Backbone interact. energy: -0.020
local terms energy: -82.919518
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 1.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -231.455358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.455358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.433452 (E_RNA)
where:
Base-Base interactions energy: -148.535
where: short stacking energy: -83.537
Base-Backbone interact. energy: -0.010
local terms energy: -83.888689
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.978 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -234.229806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.229806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.249470 (E_RNA)
where:
Base-Base interactions energy: -153.210
where: short stacking energy: -80.595
Base-Backbone interact. energy: -0.005
local terms energy: -81.034595
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -24.019
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: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -207.986822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.986822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.017607 (E_RNA)
where:
Base-Base interactions energy: -132.794
where: short stacking energy: -73.266
Base-Backbone interact. energy: -1.016
local terms energy: -74.207654
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -15.415
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: 5, replica: 2
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -175.742179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.742179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.957680 (E_RNA)
where:
Base-Base interactions energy: -112.440
where: short stacking energy: -64.859
Base-Backbone interact. energy: -0.770
local terms energy: -62.748139
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -6.708
tors. eta vs tors. theta energy: -12.970
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: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -164.882188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.882188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.933483 (E_RNA)
where:
Base-Base interactions energy: -104.228
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.147
local terms energy: -60.558256
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -12.780
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: 460
Temperature: 1.200000
Total energy: -162.493137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.493137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.670147 (E_RNA)
where:
Base-Base interactions energy: -92.503
where: short stacking energy: -56.243
Base-Backbone interact. energy: -0.657
local terms energy: -69.510191
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -13.369
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: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -171.784819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.784819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.844703 (E_RNA)
where:
Base-Base interactions energy: -106.884
where: short stacking energy: -56.064
Base-Backbone interact. energy: -1.288
local terms energy: -63.672705
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -13.271
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: 6
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -156.197543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.197543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.267000 (E_RNA)
where:
Base-Base interactions energy: -99.047
where: short stacking energy: -53.186
Base-Backbone interact. energy: -0.048
local terms energy: -57.171749
where:
bonds (distance) C4'-P energy: -7.591
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -12.506
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: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -160.734899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.734899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.803868 (E_RNA)
where:
Base-Base interactions energy: -104.069
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.354
local terms energy: -56.380887
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -3.620
tors. eta vs tors. theta energy: -13.926
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: 10
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -232.944648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.944648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.125353 (E_RNA)
where:
Base-Base interactions energy: -147.766
where: short stacking energy: -81.753
Base-Backbone interact. energy: -0.001
local terms energy: -85.358445
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -243.896981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.896981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.896981 (E_RNA)
where:
Base-Base interactions energy: -160.477
where: short stacking energy: -91.894
Base-Backbone interact. energy: -0.005
local terms energy: -83.415213
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -23.453
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: 3, replica: 5
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -236.884210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.884210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.758166 (E_RNA)
where:
Base-Base interactions energy: -157.633
where: short stacking energy: -80.414
Base-Backbone interact. energy: -0.062
local terms energy: -81.063433
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -19.855
Dist. restrs. and SS energy: 1.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -192.731373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.731373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.738521 (E_RNA)
where:
Base-Base interactions energy: -123.071
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.331
local terms energy: -69.336530
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -6.618
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -15.819
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: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -168.511096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.511096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.889138 (E_RNA)
where:
Base-Base interactions energy: -107.671
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.260
local terms energy: -61.958108
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -8.302
Dist. restrs. and SS energy: 1.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -169.671312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.671312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.680144 (E_RNA)
where:
Base-Base interactions energy: -104.263
where: short stacking energy: -58.550
Base-Backbone interact. energy: 1.538
local terms energy: -66.954989
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -10.343
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: 4
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -174.214375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.214375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.239801 (E_RNA)
where:
Base-Base interactions energy: -106.984
where: short stacking energy: -57.890
Base-Backbone interact. energy: -0.288
local terms energy: -66.966958
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -14.430
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: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -170.240508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.240508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.362044 (E_RNA)
where:
Base-Base interactions energy: -106.098
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.315
local terms energy: -63.948885
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -16.408
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: 6
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -140.118803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.118803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.121556 (E_RNA)
where:
Base-Base interactions energy: -86.586
where: short stacking energy: -46.206
Base-Backbone interact. energy: 0.955
local terms energy: -54.490594
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -9.554
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -7.244
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: 461
Temperature: 1.350000
Total energy: -147.000278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.000278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.000278 (E_RNA)
where:
Base-Base interactions energy: -86.816
where: short stacking energy: -42.547
Base-Backbone interact. energy: -0.201
local terms energy: -59.983144
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: -0.000 (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: 462
Temperature: 0.900000
Total energy: -245.987216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.987216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.047862 (E_RNA)
where:
Base-Base interactions energy: -159.997
where: short stacking energy: -89.672
Base-Backbone interact. energy: -0.608
local terms energy: -85.442204
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -232.895726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.895726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.850528 (E_RNA)
where:
Base-Base interactions energy: -147.352
where: short stacking energy: -78.613
Base-Backbone interact. energy: -0.039
local terms energy: -86.459041
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.955 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -226.392533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.392533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.812598 (E_RNA)
where:
Base-Base interactions energy: -151.094
where: short stacking energy: -84.431
Base-Backbone interact. energy: -0.738
local terms energy: -76.980885
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -20.739
Dist. restrs. and SS energy: 2.420 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -215.469053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.469053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.516402 (E_RNA)
where:
Base-Base interactions energy: -146.608
where: short stacking energy: -78.484
Base-Backbone interact. energy: -0.394
local terms energy: -68.514008
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -18.445
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: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -169.935408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.935408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.207013 (E_RNA)
where:
Base-Base interactions energy: -108.565
where: short stacking energy: -69.398
Base-Backbone interact. energy: -0.085
local terms energy: -61.556772
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -12.418
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: 6, replica: 2
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -168.129219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.129219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.264026 (E_RNA)
where:
Base-Base interactions energy: -104.279
where: short stacking energy: -58.469
Base-Backbone interact. energy: -0.692
local terms energy: -63.292454
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -9.616
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: 462
Temperature: 1.200000
Total energy: -173.295318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.295318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.617179 (E_RNA)
where:
Base-Base interactions energy: -109.191
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.247
local terms energy: -64.178992
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -13.394
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: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -166.453532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.453532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.036487 (E_RNA)
where:
Base-Base interactions energy: -100.592
where: short stacking energy: -51.328
Base-Backbone interact. energy: 0.259
local terms energy: -66.702877
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.583 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -159.652386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.652386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.652386 (E_RNA)
where:
Base-Base interactions energy: -97.651
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.319
local terms energy: -61.682914
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -9.929
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -10.170
Dist. restrs. and SS energy: -0.000 (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: 462
Temperature: 1.350000
Total energy: -162.947213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.947213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.430529 (E_RNA)
where:
Base-Base interactions energy: -95.651
where: short stacking energy: -52.884
Base-Backbone interact. energy: -0.991
local terms energy: -66.788484
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -11.441
Dist. restrs. and SS energy: 0.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -240.363608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.363608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.363608 (E_RNA)
where:
Base-Base interactions energy: -163.111
where: short stacking energy: -78.851
Base-Backbone interact. energy: -0.293
local terms energy: -76.960352
where:
bonds (distance) C4'-P energy: -14.833
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -17.405
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: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -228.277959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.277959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.186633 (E_RNA)
where:
Base-Base interactions energy: -152.774
where: short stacking energy: -78.009
Base-Backbone interact. energy: -0.141
local terms energy: -76.271644
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -208.747774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.747774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.956112 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.335
local terms energy: -74.893659
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 1.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -220.131734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.131734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.136855 (E_RNA)
where:
Base-Base interactions energy: -141.546
where: short stacking energy: -77.621
Base-Backbone interact. energy: -0.001
local terms energy: -79.589950
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -20.120
Dist. restrs. and SS energy: 1.005 (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: 463
Temperature: 1.100000
Total energy: -168.980376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.980376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.010791 (E_RNA)
where:
Base-Base interactions energy: -104.873
where: short stacking energy: -62.673
Base-Backbone interact. energy: -0.221
local terms energy: -63.917442
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -11.844
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: 463
Temperature: 1.150000
Total energy: -164.881324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.881324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.881324 (E_RNA)
where:
Base-Base interactions energy: -99.261
where: short stacking energy: -52.617
Base-Backbone interact. energy: 0.131
local terms energy: -65.750870
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -8.005
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: 7, replica: 8
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -169.454268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.454268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.595178 (E_RNA)
where:
Base-Base interactions energy: -105.685
where: short stacking energy: -52.735
Base-Backbone interact. energy: -0.415
local terms energy: -63.495285
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -11.841
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: 3
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -162.697518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.697518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.698262 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.870
local terms energy: -60.690279
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -13.951
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: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -168.769219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.769219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.976699 (E_RNA)
where:
Base-Base interactions energy: -100.520
where: short stacking energy: -61.257
Base-Backbone interact. energy: -0.006
local terms energy: -68.450793
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.207 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -154.626789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.626789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.026491 (E_RNA)
where:
Base-Base interactions energy: -101.115
where: short stacking energy: -57.693
Base-Backbone interact. energy: 0.906
local terms energy: -54.817732
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -10.023
Dist. restrs. and SS energy: 0.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -243.979837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.979837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.064911 (E_RNA)
where:
Base-Base interactions energy: -152.553
where: short stacking energy: -89.493
Base-Backbone interact. energy: -0.004
local terms energy: -91.507967
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -19.020
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -25.196
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -233.390860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.390860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.828513 (E_RNA)
where:
Base-Base interactions energy: -152.966
where: short stacking energy: -83.236
Base-Backbone interact. energy: -0.608
local terms energy: -80.254220
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.438 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -220.919680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.919680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.415682 (E_RNA)
where:
Base-Base interactions energy: -139.100
where: short stacking energy: -73.111
Base-Backbone interact. energy: -1.213
local terms energy: -81.103163
where:
bonds (distance) C4'-P energy: -12.901
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.496 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -218.152497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.152497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.184467 (E_RNA)
where:
Base-Base interactions energy: -132.289
where: short stacking energy: -81.464
Base-Backbone interact. energy: -0.004
local terms energy: -85.890942
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -22.486
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: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -182.563182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.563182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.563182 (E_RNA)
where:
Base-Base interactions energy: -111.145
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.116
local terms energy: -71.302376
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -8.134
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: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -172.805560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.805560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.928702 (E_RNA)
where:
Base-Base interactions energy: -107.869
where: short stacking energy: -56.662
Base-Backbone interact. energy: -0.158
local terms energy: -64.901399
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -10.672
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -175.130844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.130844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.130844 (E_RNA)
where:
Base-Base interactions energy: -103.634
where: short stacking energy: -60.564
Base-Backbone interact. energy: -0.948
local terms energy: -70.548294
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -15.303
Dist. restrs. and SS energy: -0.000 (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: -172.229134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.229134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.241457 (E_RNA)
where:
Base-Base interactions energy: -108.987
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.441
local terms energy: -62.813269
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -8.422
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -11.649
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: 6
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -166.708256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.708256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.461544 (E_RNA)
where:
Base-Base interactions energy: -105.881
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.032
local terms energy: -61.549013
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -152.086998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.086998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.109195 (E_RNA)
where:
Base-Base interactions energy: -94.685
where: short stacking energy: -50.196
Base-Backbone interact. energy: -0.385
local terms energy: -57.039882
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -10.907
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: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -245.513061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.513061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.533746 (E_RNA)
where:
Base-Base interactions energy: -163.705
where: short stacking energy: -93.379
Base-Backbone interact. energy: -0.002
local terms energy: -81.826741
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -23.540
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: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -235.417838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.417838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.447234 (E_RNA)
where:
Base-Base interactions energy: -158.342
where: short stacking energy: -83.546
Base-Backbone interact. energy: -1.455
local terms energy: -75.650229
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -24.188
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: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -228.858848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.858848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.861154 (E_RNA)
where:
Base-Base interactions energy: -146.540
where: short stacking energy: -76.363
Base-Backbone interact. energy: -0.738
local terms energy: -83.582500
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -21.277
Dist. restrs. and SS energy: 2.002 (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: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -198.647714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.647714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706100 (E_RNA)
where:
Base-Base interactions energy: -129.121
where: short stacking energy: -62.682
Base-Backbone interact. energy: 0.396
local terms energy: -70.980219
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 1.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -177.259028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.259028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.464379 (E_RNA)
where:
Base-Base interactions energy: -103.580
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.111
local terms energy: -73.773551
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -17.859
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: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -176.047970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.047970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.129758 (E_RNA)
where:
Base-Base interactions energy: -102.912
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.037
local terms energy: -73.180681
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -14.071
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: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -177.331918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.331918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.530311 (E_RNA)
where:
Base-Base interactions energy: -104.232
where: short stacking energy: -55.925
Base-Backbone interact. energy: -1.606
local terms energy: -71.692785
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -169.114293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.114293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.190247 (E_RNA)
where:
Base-Base interactions energy: -99.940
where: short stacking energy: -55.046
Base-Backbone interact. energy: -1.078
local terms energy: -68.171791
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -16.181
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: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -173.404844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.404844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.769447 (E_RNA)
where:
Base-Base interactions energy: -116.684
where: short stacking energy: -49.314
Base-Backbone interact. energy: -0.183
local terms energy: -56.901845
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -152.251155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.251155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.444432 (E_RNA)
where:
Base-Base interactions energy: -88.302
where: short stacking energy: -45.170
Base-Backbone interact. energy: -0.002
local terms energy: -64.140473
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -10.405
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -12.168
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -244.181510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.181510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.461916 (E_RNA)
where:
Base-Base interactions energy: -158.367
where: short stacking energy: -84.758
Base-Backbone interact. energy: -0.000
local terms energy: -86.094434
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -13.801
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.280 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -237.711606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.711606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.093013 (E_RNA)
where:
Base-Base interactions energy: -155.216
where: short stacking energy: -79.965
Base-Backbone interact. energy: -0.011
local terms energy: -82.865763
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -24.182
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -218.640035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.640035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.471194 (E_RNA)
where:
Base-Base interactions energy: -143.364
where: short stacking energy: -73.310
Base-Backbone interact. energy: -0.006
local terms energy: -77.101130
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -19.028
Dist. restrs. and SS energy: 1.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -204.864916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.864916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.455418 (E_RNA)
where:
Base-Base interactions energy: -132.078
where: short stacking energy: -71.198
Base-Backbone interact. energy: -0.092
local terms energy: -73.285743
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -181.506094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.506094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.506094 (E_RNA)
where:
Base-Base interactions energy: -122.510
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.056
local terms energy: -58.940704
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -10.957
Dist. restrs. and SS energy: 0.000 (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: 466
Temperature: 1.150000
Total energy: -184.480017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.480017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.591778 (E_RNA)
where:
Base-Base interactions energy: -114.410
where: short stacking energy: -73.212
Base-Backbone interact. energy: -0.091
local terms energy: -70.091373
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -16.755
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -183.847211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.847211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.115890 (E_RNA)
where:
Base-Base interactions energy: -116.162
where: short stacking energy: -63.174
Base-Backbone interact. energy: -0.007
local terms energy: -67.946754
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -165.838100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.838100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.886945 (E_RNA)
where:
Base-Base interactions energy: -99.334
where: short stacking energy: -58.712
Base-Backbone interact. energy: -0.200
local terms energy: -66.352911
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -155.772939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.772939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.801115 (E_RNA)
where:
Base-Base interactions energy: -98.139
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.210
local terms energy: -57.452285
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -7.190
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: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -179.969331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.969331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.197279 (E_RNA)
where:
Base-Base interactions energy: -106.136
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.864
local terms energy: -73.196919
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -17.993
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: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -244.902645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.902645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.073617 (E_RNA)
where:
Base-Base interactions energy: -161.802
where: short stacking energy: -92.618
Base-Backbone interact. energy: -0.043
local terms energy: -83.228937
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -23.673
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: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -218.342389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.342389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.862999 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -70.375
Base-Backbone interact. energy: -0.592
local terms energy: -77.886738
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.521 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -230.025462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.025462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.881528 (E_RNA)
where:
Base-Base interactions energy: -151.913
where: short stacking energy: -80.938
Base-Backbone interact. energy: 0.019
local terms energy: -78.987007
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -193.302724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.302724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.530602 (E_RNA)
where:
Base-Base interactions energy: -117.463
where: short stacking energy: -63.230
Base-Backbone interact. energy: -0.999
local terms energy: -75.068367
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -188.624702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.624702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.642904 (E_RNA)
where:
Base-Base interactions energy: -120.600
where: short stacking energy: -60.376
Base-Backbone interact. energy: -0.216
local terms energy: -67.826944
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -14.866
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: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -183.292174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.292174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.400050 (E_RNA)
where:
Base-Base interactions energy: -111.253
where: short stacking energy: -57.874
Base-Backbone interact. energy: -1.624
local terms energy: -70.523110
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -15.149
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: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -167.593589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.593589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.952508 (E_RNA)
where:
Base-Base interactions energy: -101.034
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.233
local terms energy: -66.685853
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -12.941
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: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -152.574717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.574717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.661181 (E_RNA)
where:
Base-Base interactions energy: -90.432
where: short stacking energy: -50.675
Base-Backbone interact. energy: -1.029
local terms energy: -61.200090
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -12.996
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: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -154.237818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.237818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.270014 (E_RNA)
where:
Base-Base interactions energy: -98.429
where: short stacking energy: -53.490
Base-Backbone interact. energy: 2.108
local terms energy: -57.948390
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -8.536
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: 467
Temperature: 1.350000
Total energy: -146.605609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.605609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.747244 (E_RNA)
where:
Base-Base interactions energy: -86.713
where: short stacking energy: -41.377
Base-Backbone interact. energy: -0.114
local terms energy: -59.920544
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -10.073
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: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -233.973836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.973836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.973836 (E_RNA)
where:
Base-Base interactions energy: -152.163
where: short stacking energy: -80.332
Base-Backbone interact. energy: -0.002
local terms energy: -81.808704
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: -0.000 (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: 468
Temperature: 0.950000
Total energy: -200.395782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.395782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.439598 (E_RNA)
where:
Base-Base interactions energy: -124.785
where: short stacking energy: -68.478
Base-Backbone interact. energy: -0.448
local terms energy: -75.206904
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -15.444
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: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -205.296977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.296977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.325710 (E_RNA)
where:
Base-Base interactions energy: -135.426
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.354
local terms energy: -70.546074
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -16.533
Dist. restrs. and SS energy: 1.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -211.953162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.953162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.970187 (E_RNA)
where:
Base-Base interactions energy: -133.417
where: short stacking energy: -70.783
Base-Backbone interact. energy: -0.398
local terms energy: -78.154665
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -17.527
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: 468
Temperature: 1.100000
Total energy: -194.231861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.231861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.231861 (E_RNA)
where:
Base-Base interactions energy: -113.576
where: short stacking energy: -66.594
Base-Backbone interact. energy: 1.102
local terms energy: -81.758503
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (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: 468
Temperature: 1.150000
Total energy: -170.217810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.217810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.248236 (E_RNA)
where:
Base-Base interactions energy: -101.564
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.203
local terms energy: -68.481912
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -13.339
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: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -162.467797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.467797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.663616 (E_RNA)
where:
Base-Base interactions energy: -96.217
where: short stacking energy: -58.180
Base-Backbone interact. energy: -0.234
local terms energy: -66.213090
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -155.848951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.848951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.093437 (E_RNA)
where:
Base-Base interactions energy: -86.291
where: short stacking energy: -51.476
Base-Backbone interact. energy: 0.141
local terms energy: -69.942751
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -163.563951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.563951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.890708 (E_RNA)
where:
Base-Base interactions energy: -93.295
where: short stacking energy: -56.879
Base-Backbone interact. energy: -0.003
local terms energy: -70.592704
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -15.561
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -166.126632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.126632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.537856 (E_RNA)
where:
Base-Base interactions energy: -110.079
where: short stacking energy: -56.352
Base-Backbone interact. energy: -1.551
local terms energy: -54.908458
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.411 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -247.511731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.511731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.511731 (E_RNA)
where:
Base-Base interactions energy: -163.309
where: short stacking energy: -90.284
Base-Backbone interact. energy: 0.748
local terms energy: -84.950664
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: -0.000 (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: 469
Temperature: 0.950000
Total energy: -226.084836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.084836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.499501 (E_RNA)
where:
Base-Base interactions energy: -140.138
where: short stacking energy: -75.905
Base-Backbone interact. energy: 0.269
local terms energy: -86.630355
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -202.048299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.048299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.238719 (E_RNA)
where:
Base-Base interactions energy: -131.896
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.206
local terms energy: -71.137346
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 1.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -205.734608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.734608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.775680 (E_RNA)
where:
Base-Base interactions energy: -130.469
where: short stacking energy: -71.842
Base-Backbone interact. energy: -0.127
local terms energy: -75.179873
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -14.700
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: 469
Temperature: 1.100000
Total energy: -205.925221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.925221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.068396 (E_RNA)
where:
Base-Base interactions energy: -130.334
where: short stacking energy: -72.732
Base-Backbone interact. energy: -0.022
local terms energy: -75.712718
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -18.633
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: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -171.251230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.251230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.420166 (E_RNA)
where:
Base-Base interactions energy: -103.028
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.054
local terms energy: -68.338445
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -9.779
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: 7, replica: 2
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -190.316948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.316948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.855616 (E_RNA)
where:
Base-Base interactions energy: -121.157
where: short stacking energy: -62.514
Base-Backbone interact. energy: -0.523
local terms energy: -69.175635
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -168.466091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.466091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.515203 (E_RNA)
where:
Base-Base interactions energy: -105.969
where: short stacking energy: -60.149
Base-Backbone interact. energy: -0.746
local terms energy: -61.799771
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -12.740
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -155.415839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.415839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.479533 (E_RNA)
where:
Base-Base interactions energy: -93.704
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.022
local terms energy: -61.754272
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -14.632
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: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -158.284242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.284242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.859931 (E_RNA)
where:
Base-Base interactions energy: -101.712
where: short stacking energy: -57.688
Base-Backbone interact. energy: -0.014
local terms energy: -57.133480
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -11.323
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.576 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -241.817743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.817743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.873948 (E_RNA)
where:
Base-Base interactions energy: -158.102
where: short stacking energy: -92.595
Base-Backbone interact. energy: -0.242
local terms energy: -83.530029
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -21.903
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: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -231.694724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.694724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.814255 (E_RNA)
where:
Base-Base interactions energy: -153.899
where: short stacking energy: -84.115
Base-Backbone interact. energy: -0.702
local terms energy: -77.212767
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -204.692699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.692699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.077065 (E_RNA)
where:
Base-Base interactions energy: -123.938
where: short stacking energy: -69.425
Base-Backbone interact. energy: -0.175
local terms energy: -81.963388
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 1.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -211.071946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.071946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.593680 (E_RNA)
where:
Base-Base interactions energy: -138.517
where: short stacking energy: -69.756
Base-Backbone interact. energy: -0.018
local terms energy: -74.059415
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 1.522 (S_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: 470
Temperature: 1.100000
Total energy: -195.005639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.005639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.131585 (E_RNA)
where:
Base-Base interactions energy: -121.474
where: short stacking energy: -69.758
Base-Backbone interact. energy: -0.072
local terms energy: -73.585234
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -17.936
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: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -172.004108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.004108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.030271 (E_RNA)
where:
Base-Base interactions energy: -107.368
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.486
local terms energy: -64.176536
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -13.133
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: 470
Temperature: 1.200000
Total energy: -153.162558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.162558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.688006 (E_RNA)
where:
Base-Base interactions energy: -95.969
where: short stacking energy: -53.734
Base-Backbone interact. energy: -0.186
local terms energy: -57.533098
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -9.987
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -7.955
Dist. restrs. and SS energy: 0.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -167.964341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.964341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.631934 (E_RNA)
where:
Base-Base interactions energy: -103.359
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.204
local terms energy: -65.068931
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -9.711
Dist. restrs. and SS energy: 0.668 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -164.257002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.257002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.812779 (E_RNA)
where:
Base-Base interactions energy: -97.480
where: short stacking energy: -54.341
Base-Backbone interact. energy: 0.716
local terms energy: -68.049062
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.556 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -153.681465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.681465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.624189 (E_RNA)
where:
Base-Base interactions energy: -92.359
where: short stacking energy: -47.880
Base-Backbone interact. energy: -0.084
local terms energy: -63.181064
where:
bonds (distance) C4'-P energy: -9.100
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -17.544
Dist. restrs. and SS energy: 1.943 (S_DIST_RNA)
chem. 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: -240.922909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.922909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.230838 (E_RNA)
where:
Base-Base interactions energy: -156.728
where: short stacking energy: -86.262
Base-Backbone interact. energy: -0.785
local terms energy: -83.717484
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -23.204
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: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -237.702241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.702241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.702241 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -82.099
Base-Backbone interact. energy: -0.918
local terms energy: -89.419072
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (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: 471
Temperature: 1.000000
Total energy: -198.413412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.413412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.024384 (E_RNA)
where:
Base-Base interactions energy: -129.545
where: short stacking energy: -68.058
Base-Backbone interact. energy: -0.473
local terms energy: -70.005999
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 1.611 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -235.129860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.129860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.752502 (E_RNA)
where:
Base-Base interactions energy: -153.066
where: short stacking energy: -81.172
Base-Backbone interact. energy: -0.416
local terms energy: -82.270726
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -23.031
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -204.849526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.849526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.552236 (E_RNA)
where:
Base-Base interactions energy: -139.359
where: short stacking energy: -65.493
Base-Backbone interact. energy: 0.064
local terms energy: -66.257721
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -6.740
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -163.178132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.178132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.227118 (E_RNA)
where:
Base-Base interactions energy: -97.651
where: short stacking energy: -56.305
Base-Backbone interact. energy: -0.373
local terms energy: -65.203336
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -9.947
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -12.294
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: 471
Temperature: 1.200000
Total energy: -162.731266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.731266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.899271 (E_RNA)
where:
Base-Base interactions energy: -91.621
where: short stacking energy: -54.026
Base-Backbone interact. energy: -0.165
local terms energy: -71.113145
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -195.281073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.281073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.034803 (E_RNA)
where:
Base-Base interactions energy: -123.849
where: short stacking energy: -65.943
Base-Backbone interact. energy: -0.164
local terms energy: -72.021466
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -152.030313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.030313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.452840 (E_RNA)
where:
Base-Base interactions energy: -103.110
where: short stacking energy: -52.590
Base-Backbone interact. energy: -0.015
local terms energy: -49.327422
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -12.217
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -160.020993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.020993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.127619 (E_RNA)
where:
Base-Base interactions energy: -92.684
where: short stacking energy: -55.368
Base-Backbone interact. energy: -0.010
local terms energy: -67.433523
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -9.004
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -16.582
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: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -232.531633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.531633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.701941 (E_RNA)
where:
Base-Base interactions energy: -152.945
where: short stacking energy: -82.400
Base-Backbone interact. energy: -0.124
local terms energy: -79.632847
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -226.498860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.498860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.609124 (E_RNA)
where:
Base-Base interactions energy: -148.573
where: short stacking energy: -68.057
Base-Backbone interact. energy: -0.019
local terms energy: -78.017014
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -19.051
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -18.319
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: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -221.990815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.990815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.998213 (E_RNA)
where:
Base-Base interactions energy: -146.039
where: short stacking energy: -65.159
Base-Backbone interact. energy: -0.011
local terms energy: -76.947971
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -19.597
Dist. restrs. and SS energy: 1.007 (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: 472
Temperature: 1.050000
Total energy: -211.078461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.078461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094702 (E_RNA)
where:
Base-Base interactions energy: -132.826
where: short stacking energy: -71.949
Base-Backbone interact. energy: -0.000
local terms energy: -78.268811
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -19.058
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: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -197.621850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.621850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.354571 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.041
local terms energy: -71.755269
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 2.733 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -166.000597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.000597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.000780 (E_RNA)
where:
Base-Base interactions energy: -106.367
where: short stacking energy: -65.857
Base-Backbone interact. energy: -0.108
local terms energy: -59.525529
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (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: 472
Temperature: 1.200000
Total energy: -171.956346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.956346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.012099 (E_RNA)
where:
Base-Base interactions energy: -100.981
where: short stacking energy: -52.997
Base-Backbone interact. energy: -1.325
local terms energy: -69.706567
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -166.989865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.989865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.064498 (E_RNA)
where:
Base-Base interactions energy: -104.373
where: short stacking energy: -66.263
Base-Backbone interact. energy: 0.867
local terms energy: -63.558847
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -13.942
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: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -152.441082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.441082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.583660 (E_RNA)
where:
Base-Base interactions energy: -86.572
where: short stacking energy: -46.081
Base-Backbone interact. energy: -0.722
local terms energy: -65.288864
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -147.267768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.267768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.372051 (E_RNA)
where:
Base-Base interactions energy: -89.539
where: short stacking energy: -48.669
Base-Backbone interact. energy: 1.529
local terms energy: -59.361892
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -12.469
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: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -239.507695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.507695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.888398 (E_RNA)
where:
Base-Base interactions energy: -155.554
where: short stacking energy: -89.075
Base-Backbone interact. energy: -0.015
local terms energy: -84.318699
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -23.789
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -231.002951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.002951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.392861 (E_RNA)
where:
Base-Base interactions energy: -153.418
where: short stacking energy: -78.039
Base-Backbone interact. energy: -0.001
local terms energy: -78.973939
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 1.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -235.877813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.877813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.760002 (E_RNA)
where:
Base-Base interactions energy: -153.760
where: short stacking energy: -82.976
Base-Backbone interact. energy: -0.055
local terms energy: -82.945200
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -24.575
Dist. restrs. and SS energy: 0.882 (S_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: 473
Temperature: 1.050000
Total energy: -198.102866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.102866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.230195 (E_RNA)
where:
Base-Base interactions energy: -124.920
where: short stacking energy: -67.510
Base-Backbone interact. energy: 0.181
local terms energy: -74.491911
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 1.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -198.600996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.600996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.814812 (E_RNA)
where:
Base-Base interactions energy: -131.415
where: short stacking energy: -76.295
Base-Backbone interact. energy: -0.002
local terms energy: -67.397638
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -18.140
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: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -175.718086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.718086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.933338 (E_RNA)
where:
Base-Base interactions energy: -110.660
where: short stacking energy: -70.552
Base-Backbone interact. energy: -0.865
local terms energy: -64.408491
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -11.657
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: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -168.238190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.238190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.368564 (E_RNA)
where:
Base-Base interactions energy: -107.227
where: short stacking energy: -68.018
Base-Backbone interact. energy: 1.017
local terms energy: -62.158936
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -11.916
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: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -172.503765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.503765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.137730 (E_RNA)
where:
Base-Base interactions energy: -110.680
where: short stacking energy: -55.009
Base-Backbone interact. energy: -0.098
local terms energy: -63.359956
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -10.931
Dist. restrs. and SS energy: 1.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -160.620122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.620122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.691860 (E_RNA)
where:
Base-Base interactions energy: -91.675
where: short stacking energy: -51.135
Base-Backbone interact. energy: -0.103
local terms energy: -68.914509
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -16.358
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -10.667
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: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -148.620654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.620654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.776273 (E_RNA)
where:
Base-Base interactions energy: -90.831
where: short stacking energy: -47.368
Base-Backbone interact. energy: -0.356
local terms energy: -57.588658
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -9.394
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: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -240.139369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.139369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.185174 (E_RNA)
where:
Base-Base interactions energy: -160.144
where: short stacking energy: -83.136
Base-Backbone interact. energy: 0.903
local terms energy: -80.943698
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -23.113
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: 474
Temperature: 0.950000
Total energy: -234.308342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.308342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.076668 (E_RNA)
where:
Base-Base interactions energy: -148.045
where: short stacking energy: -74.749
Base-Backbone interact. energy: -0.090
local terms energy: -87.941327
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 1.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -235.354712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.354712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.354712 (E_RNA)
where:
Base-Base interactions energy: -153.080
where: short stacking energy: -86.509
Base-Backbone interact. energy: -0.001
local terms energy: -82.273362
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -23.804
Dist. restrs. and SS energy: -0.000 (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: 474
Temperature: 1.050000
Total energy: -192.640272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.640272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.294743 (E_RNA)
where:
Base-Base interactions energy: -124.978
where: short stacking energy: -62.633
Base-Backbone interact. energy: -0.151
local terms energy: -68.165961
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.654 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -199.577122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.577122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.182782 (E_RNA)
where:
Base-Base interactions energy: -133.854
where: short stacking energy: -67.121
Base-Backbone interact. energy: -0.820
local terms energy: -66.508080
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 1.606 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -161.814319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.814319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.819311 (E_RNA)
where:
Base-Base interactions energy: -89.694
where: short stacking energy: -50.128
Base-Backbone interact. energy: -1.293
local terms energy: -70.832789
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -13.180
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: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -173.717530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.717530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.756774 (E_RNA)
where:
Base-Base interactions energy: -110.806
where: short stacking energy: -70.845
Base-Backbone interact. energy: -0.001
local terms energy: -62.950513
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -17.176
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: 474
Temperature: 1.250000
Total energy: -158.251713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.251713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.612440 (E_RNA)
where:
Base-Base interactions energy: -91.422
where: short stacking energy: -49.217
Base-Backbone interact. energy: -0.437
local terms energy: -66.754083
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -9.848
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -156.561501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.561501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.140303 (E_RNA)
where:
Base-Base interactions energy: -88.923
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.329
local terms energy: -67.888349
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.579 (S_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: 474
Temperature: 1.350000
Total energy: -147.184121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.184121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.231967 (E_RNA)
where:
Base-Base interactions energy: -91.324
where: short stacking energy: -45.080
Base-Backbone interact. energy: 1.641
local terms energy: -57.548627
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -5.353
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: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -238.659301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.659301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.407182 (E_RNA)
where:
Base-Base interactions energy: -152.639
where: short stacking energy: -79.260
Base-Backbone interact. energy: -0.000
local terms energy: -86.767839
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -21.664
Dist. restrs. and SS energy: 0.748 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -238.716533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.716533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.924991 (E_RNA)
where:
Base-Base interactions energy: -159.159
where: short stacking energy: -86.381
Base-Backbone interact. energy: -0.000
local terms energy: -79.766151
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -224.470967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.470967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.515099 (E_RNA)
where:
Base-Base interactions energy: -154.520
where: short stacking energy: -75.712
Base-Backbone interact. energy: -1.376
local terms energy: -70.619213
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 2.044 (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: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -197.789557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.789557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.360292 (E_RNA)
where:
Base-Base interactions energy: -117.863
where: short stacking energy: -67.016
Base-Backbone interact. energy: -0.033
local terms energy: -80.464499
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -194.246734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.246734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.366208 (E_RNA)
where:
Base-Base interactions energy: -125.702
where: short stacking energy: -63.325
Base-Backbone interact. energy: -0.832
local terms energy: -67.832242
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -4.675
tors. eta vs tors. theta energy: -20.938
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -173.101214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.101214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.350554 (E_RNA)
where:
Base-Base interactions energy: -102.576
where: short stacking energy: -66.673
Base-Backbone interact. energy: -1.247
local terms energy: -69.527515
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -14.465
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: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -172.385823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.385823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.385823 (E_RNA)
where:
Base-Base interactions energy: -119.940
where: short stacking energy: -60.407
Base-Backbone interact. energy: -0.677
local terms energy: -51.768439
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (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: 475
Temperature: 1.250000
Total energy: -150.304981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.304981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.535551 (E_RNA)
where:
Base-Base interactions energy: -93.690
where: short stacking energy: -43.367
Base-Backbone interact. energy: 2.055
local terms energy: -59.900325
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -10.978
Dist. restrs. and SS energy: 1.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -157.897666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.897666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.022423 (E_RNA)
where:
Base-Base interactions energy: -88.564
where: short stacking energy: -48.616
Base-Backbone interact. energy: 0.005
local terms energy: -69.463323
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -9.553
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -151.725643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.725643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.741978 (E_RNA)
where:
Base-Base interactions energy: -94.248
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.091
local terms energy: -57.403705
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -7.521
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: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -239.007587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.007587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.043967 (E_RNA)
where:
Base-Base interactions energy: -153.388
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.392
local terms energy: -85.264330
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -21.746
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: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -230.441354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.441354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.970055 (E_RNA)
where:
Base-Base interactions energy: -152.465
where: short stacking energy: -80.975
Base-Backbone interact. energy: -0.001
local terms energy: -78.504927
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.529 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -210.929769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.929769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.748548 (E_RNA)
where:
Base-Base interactions energy: -132.783
where: short stacking energy: -71.173
Base-Backbone interact. energy: -0.028
local terms energy: -78.938201
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.819 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -209.637424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.637424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.985150 (E_RNA)
where:
Base-Base interactions energy: -139.276
where: short stacking energy: -75.248
Base-Backbone interact. energy: -0.043
local terms energy: -70.665889
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -19.359
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: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -177.799256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.799256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.814817 (E_RNA)
where:
Base-Base interactions energy: -104.303
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.256
local terms energy: -73.256004
where:
bonds (distance) C4'-P energy: -14.192
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -10.936
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: 476
Temperature: 1.150000
Total energy: -209.851478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.851478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.885358 (E_RNA)
where:
Base-Base interactions energy: -141.166
where: short stacking energy: -63.281
Base-Backbone interact. energy: -0.915
local terms energy: -69.804339
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 2.034 (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: 476
Temperature: 1.200000
Total energy: -153.677833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.677833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.677833 (E_RNA)
where:
Base-Base interactions energy: -82.758
where: short stacking energy: -38.484
Base-Backbone interact. energy: -0.205
local terms energy: -70.714980
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -12.730
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: -0.000 (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: 476
Temperature: 1.250000
Total energy: -167.815177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.815177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.388495 (E_RNA)
where:
Base-Base interactions energy: -99.620
where: short stacking energy: -50.699
Base-Backbone interact. energy: -0.882
local terms energy: -67.886475
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.573 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -146.899454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.899454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.568586 (E_RNA)
where:
Base-Base interactions energy: -96.493
where: short stacking energy: -40.997
Base-Backbone interact. energy: -0.581
local terms energy: -51.493812
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -9.029
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -9.512
Dist. restrs. and SS energy: 1.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -140.730033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.730033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.864825 (E_RNA)
where:
Base-Base interactions energy: -89.076
where: short stacking energy: -40.256
Base-Backbone interact. energy: 2.717
local terms energy: -54.506195
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -7.760
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -3.272
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: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -237.409302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.409302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.409302 (E_RNA)
where:
Base-Base interactions energy: -159.384
where: short stacking energy: -85.770
Base-Backbone interact. energy: -0.002
local terms energy: -78.024197
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: -0.000 (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: 477
Temperature: 0.950000
Total energy: -231.584199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.584199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.047798 (E_RNA)
where:
Base-Base interactions energy: -154.918
where: short stacking energy: -80.810
Base-Backbone interact. energy: -0.467
local terms energy: -76.662533
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -14.837
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.464 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -212.974499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.974499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.009953 (E_RNA)
where:
Base-Base interactions energy: -134.867
where: short stacking energy: -73.641
Base-Backbone interact. energy: -0.082
local terms energy: -78.060849
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -19.835
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: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -205.798413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.798413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.485521 (E_RNA)
where:
Base-Base interactions energy: -140.180
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.130
local terms energy: -66.176134
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.687 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -199.614718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.614718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.845197 (E_RNA)
where:
Base-Base interactions energy: -129.427
where: short stacking energy: -59.512
Base-Backbone interact. energy: 1.688
local terms energy: -72.106665
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -20.791
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: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -185.156733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.156733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.156733 (E_RNA)
where:
Base-Base interactions energy: -120.601
where: short stacking energy: -54.374
Base-Backbone interact. energy: -0.362
local terms energy: -64.193633
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -11.220
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -12.212
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: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -158.381242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.381242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.493754 (E_RNA)
where:
Base-Base interactions energy: -97.488
where: short stacking energy: -53.826
Base-Backbone interact. energy: -0.020
local terms energy: -60.986106
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -8.640
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: 4
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -163.882959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.882959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.051503 (E_RNA)
where:
Base-Base interactions energy: -109.345
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.373
local terms energy: -55.333621
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 1.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -148.788131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.788131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.149872 (E_RNA)
where:
Base-Base interactions energy: -83.551
where: short stacking energy: -44.828
Base-Backbone interact. energy: -1.576
local terms energy: -64.023089
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -12.675
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: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -143.385095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.385095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.385095 (E_RNA)
where:
Base-Base interactions energy: -91.058
where: short stacking energy: -41.169
Base-Backbone interact. energy: 1.741
local terms energy: -54.067349
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -2.319
tors. eta vs tors. theta energy: -6.677
Dist. restrs. and SS energy: 0.000 (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: 478
Temperature: 0.900000
Total energy: -244.959673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.959673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.028207 (E_RNA)
where:
Base-Base interactions energy: -160.616
where: short stacking energy: -90.185
Base-Backbone interact. energy: -0.132
local terms energy: -84.280123
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -22.457
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: 478
Temperature: 0.950000
Total energy: -216.983830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.983830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.502281 (E_RNA)
where:
Base-Base interactions energy: -134.808
where: short stacking energy: -77.092
Base-Backbone interact. energy: -0.095
local terms energy: -83.599508
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -20.251
Dist. restrs. and SS energy: 1.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -227.079405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.079405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.567641 (E_RNA)
where:
Base-Base interactions energy: -150.163
where: short stacking energy: -80.465
Base-Backbone interact. energy: 0.631
local terms energy: -78.035866
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -209.132235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.132235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.900472 (E_RNA)
where:
Base-Base interactions energy: -131.740
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.017
local terms energy: -79.142733
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 1.768 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -199.999235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.999235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.518144 (E_RNA)
where:
Base-Base interactions energy: -125.934
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.079
local terms energy: -74.505459
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -11.652
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -169.803013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.803013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.882790 (E_RNA)
where:
Base-Base interactions energy: -102.241
where: short stacking energy: -62.902
Base-Backbone interact. energy: -0.045
local terms energy: -67.596301
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -18.781
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -10.191
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: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -168.956252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.956252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.147732 (E_RNA)
where:
Base-Base interactions energy: -109.023
where: short stacking energy: -66.053
Base-Backbone interact. energy: 0.587
local terms energy: -60.711691
where:
bonds (distance) C4'-P energy: -6.377
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -15.556
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: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -159.013542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.013542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.033195 (E_RNA)
where:
Base-Base interactions energy: -90.877
where: short stacking energy: -50.753
Base-Backbone interact. energy: -1.045
local terms energy: -67.111043
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -13.447
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: 478
Temperature: 1.300000
Total energy: -159.708086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.708086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.741741 (E_RNA)
where:
Base-Base interactions energy: -98.256
where: short stacking energy: -57.461
Base-Backbone interact. energy: -0.154
local terms energy: -61.331762
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -13.575
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: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -142.972290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.972290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.295473 (E_RNA)
where:
Base-Base interactions energy: -92.847
where: short stacking energy: -57.323
Base-Backbone interact. energy: -0.013
local terms energy: -50.435557
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -7.930
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -10.978
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: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -236.774732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.774732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.774732 (E_RNA)
where:
Base-Base interactions energy: -148.375
where: short stacking energy: -80.037
Base-Backbone interact. energy: -0.990
local terms energy: -87.410188
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -21.037
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: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -218.326510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.326510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.377476 (E_RNA)
where:
Base-Base interactions energy: -133.426
where: short stacking energy: -71.709
Base-Backbone interact. energy: -0.271
local terms energy: -84.680580
where:
bonds (distance) C4'-P energy: -17.078
bonds (distance) P-C4' energy: -17.779
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -20.269
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: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -210.065226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.065226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.065226 (E_RNA)
where:
Base-Base interactions energy: -133.336
where: short stacking energy: -73.530
Base-Backbone interact. energy: 0.524
local terms energy: -77.253947
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -12.614
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: -0.000 (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: 479
Temperature: 1.050000
Total energy: -211.535675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.535675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.667876 (E_RNA)
where:
Base-Base interactions energy: -134.777
where: short stacking energy: -71.979
Base-Backbone interact. energy: 0.631
local terms energy: -77.521773
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -193.781333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.781333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.888612 (E_RNA)
where:
Base-Base interactions energy: -118.783
where: short stacking energy: -73.938
Base-Backbone interact. energy: -0.000
local terms energy: -75.105208
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -19.602
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: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -178.642925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.642925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.062156 (E_RNA)
where:
Base-Base interactions energy: -108.486
where: short stacking energy: -68.462
Base-Backbone interact. energy: -0.014
local terms energy: -70.561591
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.419 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -167.091546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.091546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.115693 (E_RNA)
where:
Base-Base interactions energy: -96.692
where: short stacking energy: -48.659
Base-Backbone interact. energy: -0.269
local terms energy: -70.154881
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -12.400
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: 479
Temperature: 1.250000
Total energy: -156.844652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.844652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.626722 (E_RNA)
where:
Base-Base interactions energy: -93.506
where: short stacking energy: -36.257
Base-Backbone interact. energy: -0.858
local terms energy: -63.262905
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -163.406547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.406547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.468935 (E_RNA)
where:
Base-Base interactions energy: -103.620
where: short stacking energy: -62.457
Base-Backbone interact. energy: 1.190
local terms energy: -61.038922
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -16.787
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: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -144.189902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.189902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.642138 (E_RNA)
where:
Base-Base interactions energy: -91.992
where: short stacking energy: -46.371
Base-Backbone interact. energy: -0.152
local terms energy: -52.498911
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.452 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -242.421301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.421301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.434335 (E_RNA)
where:
Base-Base interactions energy: -157.171
where: short stacking energy: -89.228
Base-Backbone interact. energy: -1.204
local terms energy: -84.059551
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -24.424
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: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -205.269434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.269434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.363002 (E_RNA)
where:
Base-Base interactions energy: -122.631
where: short stacking energy: -77.287
Base-Backbone interact. energy: -0.006
local terms energy: -82.726134
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -231.180413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.180413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.724426 (E_RNA)
where:
Base-Base interactions energy: -149.867
where: short stacking energy: -79.876
Base-Backbone interact. energy: 0.137
local terms energy: -81.994138
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.544 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -198.781137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.781137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.801497 (E_RNA)
where:
Base-Base interactions energy: -132.032
where: short stacking energy: -64.445
Base-Backbone interact. energy: -0.500
local terms energy: -66.269271
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -17.931
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: 7
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -184.094953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.094953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.094953 (E_RNA)
where:
Base-Base interactions energy: -114.886
where: short stacking energy: -73.804
Base-Backbone interact. energy: -0.086
local terms energy: -69.122780
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -11.887
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: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -163.731595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.731595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.768898 (E_RNA)
where:
Base-Base interactions energy: -107.009
where: short stacking energy: -63.443
Base-Backbone interact. energy: -0.019
local terms energy: -56.741084
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -12.622
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: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -164.360785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.360785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.615007 (E_RNA)
where:
Base-Base interactions energy: -95.133
where: short stacking energy: -57.977
Base-Backbone interact. energy: -0.212
local terms energy: -69.270011
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -182.994781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.994781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.048700 (E_RNA)
where:
Base-Base interactions energy: -110.737
where: short stacking energy: -62.902
Base-Backbone interact. energy: -0.309
local terms energy: -72.002235
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -10.981
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: 480
Temperature: 1.300000
Total energy: -157.046638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.046638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.299634 (E_RNA)
where:
Base-Base interactions energy: -90.010
where: short stacking energy: -53.200
Base-Backbone interact. energy: 0.711
local terms energy: -67.999974
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -14.592
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: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -144.344997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.344997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.413546 (E_RNA)
where:
Base-Base interactions energy: -85.880
where: short stacking energy: -41.722
Base-Backbone interact. energy: -1.348
local terms energy: -57.184752
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -10.232
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: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -237.811587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.811587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.811587 (E_RNA)
where:
Base-Base interactions energy: -156.293
where: short stacking energy: -87.268
Base-Backbone interact. energy: -0.061
local terms energy: -81.457797
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: -0.000 (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: 481
Temperature: 0.950000
Total energy: -226.625830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.625830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.816634 (E_RNA)
where:
Base-Base interactions energy: -149.234
where: short stacking energy: -75.659
Base-Backbone interact. energy: -0.789
local terms energy: -76.794200
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -20.431
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: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -198.405328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.405328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.589436 (E_RNA)
where:
Base-Base interactions energy: -123.864
where: short stacking energy: -82.306
Base-Backbone interact. energy: -0.060
local terms energy: -74.665550
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -17.603
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: 7
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -215.391620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.391620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.852716 (E_RNA)
where:
Base-Base interactions energy: -133.605
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.079
local terms energy: -82.169062
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -204.844301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.844301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.915409 (E_RNA)
where:
Base-Base interactions energy: -124.017
where: short stacking energy: -66.004
Base-Backbone interact. energy: -0.488
local terms energy: -80.410217
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -20.012
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: 481
Temperature: 1.150000
Total energy: -171.779261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.779261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.922560 (E_RNA)
where:
Base-Base interactions energy: -105.626
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.694
local terms energy: -65.603081
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -175.819880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.819880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.828091 (E_RNA)
where:
Base-Base interactions energy: -102.098
where: short stacking energy: -52.634
Base-Backbone interact. energy: -1.057
local terms energy: -72.672308
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -15.015
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: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -160.580096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.580096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.172827 (E_RNA)
where:
Base-Base interactions energy: -103.514
where: short stacking energy: -58.576
Base-Backbone interact. energy: -0.144
local terms energy: -57.514816
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -7.947
flat angles C4'-P-C4' energy: -7.593
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -170.969394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.969394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.143023 (E_RNA)
where:
Base-Base interactions energy: -103.680
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.006
local terms energy: -67.457047
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -16.771
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -150.561230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.561230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.651679 (E_RNA)
where:
Base-Base interactions energy: -92.568
where: short stacking energy: -53.641
Base-Backbone interact. energy: -0.052
local terms energy: -58.031630
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -7.009
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: 1
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -235.509316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.509316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.344795 (E_RNA)
where:
Base-Base interactions energy: -156.598
where: short stacking energy: -85.054
Base-Backbone interact. energy: 1.085
local terms energy: -80.832205
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -233.578501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.578501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.594432 (E_RNA)
where:
Base-Base interactions energy: -152.358
where: short stacking energy: -86.099
Base-Backbone interact. energy: -0.253
local terms energy: -80.983728
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -21.190
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: 482
Temperature: 1.000000
Total energy: -240.306066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.306066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.338860 (E_RNA)
where:
Base-Base interactions energy: -156.974
where: short stacking energy: -88.663
Base-Backbone interact. energy: -0.006
local terms energy: -84.358613
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 1.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -224.205891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.205891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.045951 (E_RNA)
where:
Base-Base interactions energy: -149.134
where: short stacking energy: -80.930
Base-Backbone interact. energy: -0.005
local terms energy: -75.907235
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -21.036
Dist. restrs. and SS energy: 0.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -181.920916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.920916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.171563 (E_RNA)
where:
Base-Base interactions energy: -110.675
where: short stacking energy: -70.127
Base-Backbone interact. energy: -0.056
local terms energy: -71.440798
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.618
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: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -187.315792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.315792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.379287 (E_RNA)
where:
Base-Base interactions energy: -117.895
where: short stacking energy: -62.040
Base-Backbone interact. energy: 0.022
local terms energy: -69.505633
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -13.019
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: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -166.066665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.066665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.421851 (E_RNA)
where:
Base-Base interactions energy: -109.837
where: short stacking energy: -48.970
Base-Backbone interact. energy: -0.091
local terms energy: -57.494154
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 1.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -153.537420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.537420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.698151 (E_RNA)
where:
Base-Base interactions energy: -97.135
where: short stacking energy: -50.881
Base-Backbone interact. energy: -0.517
local terms energy: -56.045642
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -7.289
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: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -160.202717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.202717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.654045 (E_RNA)
where:
Base-Base interactions energy: -96.375
where: short stacking energy: -48.251
Base-Backbone interact. energy: -0.049
local terms energy: -64.230412
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -154.175378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.175378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.833546 (E_RNA)
where:
Base-Base interactions energy: -96.656
where: short stacking energy: -60.467
Base-Backbone interact. energy: -0.034
local terms energy: -58.143080
where:
bonds (distance) C4'-P energy: -8.605
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -242.837383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.837383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.670880 (E_RNA)
where:
Base-Base interactions energy: -160.682
where: short stacking energy: -81.920
Base-Backbone interact. energy: -0.011
local terms energy: -83.978127
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 1.833 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -237.586109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.586109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.749145 (E_RNA)
where:
Base-Base interactions energy: -160.387
where: short stacking energy: -89.129
Base-Backbone interact. energy: -0.002
local terms energy: -77.360387
where:
bonds (distance) C4'-P energy: -8.739
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -23.110
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: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -226.683870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.683870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.945375 (E_RNA)
where:
Base-Base interactions energy: -147.512
where: short stacking energy: -82.428
Base-Backbone interact. energy: -0.500
local terms energy: -78.933200
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -200.270719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.270719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.274538 (E_RNA)
where:
Base-Base interactions energy: -129.292
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.011
local terms energy: -70.971362
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -17.329
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: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -183.824176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.824176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.926059 (E_RNA)
where:
Base-Base interactions energy: -115.098
where: short stacking energy: -68.783
Base-Backbone interact. energy: -0.003
local terms energy: -68.825221
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -16.710
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: 3
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -190.499965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.499965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.265611 (E_RNA)
where:
Base-Base interactions energy: -118.925
where: short stacking energy: -63.218
Base-Backbone interact. energy: 2.605
local terms energy: -74.945993
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.766 (S_DIST_RNA)
chem. 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: -171.161631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.161631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.324629 (E_RNA)
where:
Base-Base interactions energy: -99.243
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.007
local terms energy: -72.075086
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -168.078098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.078098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.239860 (E_RNA)
where:
Base-Base interactions energy: -113.762
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.152
local terms energy: -54.325046
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -13.269
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: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -153.667613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.667613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.667613 (E_RNA)
where:
Base-Base interactions energy: -89.056
where: short stacking energy: -43.688
Base-Backbone interact. energy: -0.544
local terms energy: -64.067891
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: -0.000 (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: 483
Temperature: 1.350000
Total energy: -155.943153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.943153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.074798 (E_RNA)
where:
Base-Base interactions energy: -98.054
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.189
local terms energy: -57.832128
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -6.723
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -11.499
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: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -237.189991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.189991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.856309 (E_RNA)
where:
Base-Base interactions energy: -157.164
where: short stacking energy: -84.041
Base-Backbone interact. energy: -0.061
local terms energy: -80.631053
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.666 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -238.451914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.451914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.451914 (E_RNA)
where:
Base-Base interactions energy: -153.087
where: short stacking energy: -86.700
Base-Backbone interact. energy: -0.337
local terms energy: -85.027805
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: -0.000 (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: 484
Temperature: 1.000000
Total energy: -223.204883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.204883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.237472 (E_RNA)
where:
Base-Base interactions energy: -148.319
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.044
local terms energy: -74.874898
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -20.873
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: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -208.319532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.319532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.331557 (E_RNA)
where:
Base-Base interactions energy: -139.360
where: short stacking energy: -75.098
Base-Backbone interact. energy: -0.024
local terms energy: -68.948406
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -19.903
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: 484
Temperature: 1.100000
Total energy: -186.522883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.522883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.532690 (E_RNA)
where:
Base-Base interactions energy: -117.345
where: short stacking energy: -75.431
Base-Backbone interact. energy: 0.258
local terms energy: -69.445446
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -14.777
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: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -176.429252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.429252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.613447 (E_RNA)
where:
Base-Base interactions energy: -102.375
where: short stacking energy: -51.652
Base-Backbone interact. energy: -0.044
local terms energy: -74.194355
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -15.224
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: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -181.776324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.776324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.109249 (E_RNA)
where:
Base-Base interactions energy: -119.873
where: short stacking energy: -57.870
Base-Backbone interact. energy: -0.607
local terms energy: -62.628847
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -11.657
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 1.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -165.527479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.527479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.629148 (E_RNA)
where:
Base-Base interactions energy: -101.100
where: short stacking energy: -51.154
Base-Backbone interact. energy: -0.493
local terms energy: -64.036852
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -11.850
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: 484
Temperature: 1.300000
Total energy: -162.296827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.296827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.677280 (E_RNA)
where:
Base-Base interactions energy: -98.884
where: short stacking energy: -56.542
Base-Backbone interact. energy: -0.030
local terms energy: -63.763781
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -16.093
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: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -157.541661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.541661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.621160 (E_RNA)
where:
Base-Base interactions energy: -96.820
where: short stacking energy: -53.590
Base-Backbone interact. energy: -0.041
local terms energy: -60.760103
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -10.351
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: 485
Temperature: 0.900000
Total energy: -237.405961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.405961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.504119 (E_RNA)
where:
Base-Base interactions energy: -159.169
where: short stacking energy: -78.784
Base-Backbone interact. energy: -0.004
local terms energy: -78.331800
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -20.030
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: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -238.862990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.862990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.961783 (E_RNA)
where:
Base-Base interactions energy: -158.887
where: short stacking energy: -85.294
Base-Backbone interact. energy: 0.017
local terms energy: -80.092170
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -203.024277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.024277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.316769 (E_RNA)
where:
Base-Base interactions energy: -127.362
where: short stacking energy: -63.055
Base-Backbone interact. energy: -0.038
local terms energy: -76.916217
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 1.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -183.336798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.336798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.451812 (E_RNA)
where:
Base-Base interactions energy: -112.618
where: short stacking energy: -62.221
Base-Backbone interact. energy: -0.302
local terms energy: -71.531825
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 1.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -184.126202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.126202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.193960 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.768
local terms energy: -69.494928
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -16.225
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: 485
Temperature: 1.150000
Total energy: -174.066183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.066183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.201841 (E_RNA)
where:
Base-Base interactions energy: -111.411
where: short stacking energy: -56.755
Base-Backbone interact. energy: -0.195
local terms energy: -62.595326
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -162.869370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.869370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.920572 (E_RNA)
where:
Base-Base interactions energy: -108.004
where: short stacking energy: -55.396
Base-Backbone interact. energy: -0.241
local terms energy: -54.675908
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -6.842
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: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -163.746503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.746503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.893924 (E_RNA)
where:
Base-Base interactions energy: -102.566
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.464
local terms energy: -60.863690
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -160.018266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.018266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.032824 (E_RNA)
where:
Base-Base interactions energy: -99.242
where: short stacking energy: -51.296
Base-Backbone interact. energy: 3.691
local terms energy: -64.481734
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -5.353
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: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -145.785890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.785890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.958884 (E_RNA)
where:
Base-Base interactions energy: -92.507
where: short stacking energy: -60.188
Base-Backbone interact. energy: -0.132
local terms energy: -53.319253
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -10.228
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: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -237.687026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.687026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.724084 (E_RNA)
where:
Base-Base interactions energy: -150.403
where: short stacking energy: -82.079
Base-Backbone interact. energy: -0.026
local terms energy: -87.295582
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -23.344
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: 486
Temperature: 0.950000
Total energy: -231.900463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.900463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.900463 (E_RNA)
where:
Base-Base interactions energy: -149.846
where: short stacking energy: -83.262
Base-Backbone interact. energy: -0.016
local terms energy: -82.037857
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -21.693
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: 3, replica: 5
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -205.003863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.003863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.018873 (E_RNA)
where:
Base-Base interactions energy: -134.506
where: short stacking energy: -78.158
Base-Backbone interact. energy: -0.500
local terms energy: -70.012607
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -17.111
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: 486
Temperature: 1.050000
Total energy: -191.851056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.851056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.893416 (E_RNA)
where:
Base-Base interactions energy: -124.161
where: short stacking energy: -66.621
Base-Backbone interact. energy: -0.019
local terms energy: -67.713223
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -178.655267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.655267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.791903 (E_RNA)
where:
Base-Base interactions energy: -104.646
where: short stacking energy: -71.663
Base-Backbone interact. energy: -0.063
local terms energy: -74.082581
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -18.580
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -178.971156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.971156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.025085 (E_RNA)
where:
Base-Base interactions energy: -114.641
where: short stacking energy: -61.626
Base-Backbone interact. energy: -0.030
local terms energy: -65.354578
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 1.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -166.455792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.455792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.505631 (E_RNA)
where:
Base-Base interactions energy: -105.004
where: short stacking energy: -59.713
Base-Backbone interact. energy: -0.009
local terms energy: -61.492087
where:
bonds (distance) C4'-P energy: -8.700
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -159.224186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.224186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.368420 (E_RNA)
where:
Base-Base interactions energy: -101.256
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.613
local terms energy: -57.499692
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -11.453
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: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -154.567973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.567973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.809839 (E_RNA)
where:
Base-Base interactions energy: -97.352
where: short stacking energy: -43.024
Base-Backbone interact. energy: -1.325
local terms energy: -59.133363
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 3.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -153.571749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.571749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.634205 (E_RNA)
where:
Base-Base interactions energy: -95.915
where: short stacking energy: -55.516
Base-Backbone interact. energy: -0.038
local terms energy: -57.681173
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -9.077
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: 487
Temperature: 0.900000
Total energy: -243.569160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.569160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.652616 (E_RNA)
where:
Base-Base interactions energy: -161.025
where: short stacking energy: -93.122
Base-Backbone interact. energy: -0.013
local terms energy: -82.615007
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -22.418
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: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -241.767781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.767781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.773545 (E_RNA)
where:
Base-Base interactions energy: -159.976
where: short stacking energy: -75.717
Base-Backbone interact. energy: -0.577
local terms energy: -81.220563
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -19.037
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: 487
Temperature: 1.000000
Total energy: -190.395919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.395919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.531477 (E_RNA)
where:
Base-Base interactions energy: -111.633
where: short stacking energy: -71.103
Base-Backbone interact. energy: -0.789
local terms energy: -78.110092
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -207.960831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.960831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.067204 (E_RNA)
where:
Base-Base interactions energy: -136.370
where: short stacking energy: -72.885
Base-Backbone interact. energy: 0.519
local terms energy: -72.216384
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -173.205217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.205217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.557779 (E_RNA)
where:
Base-Base interactions energy: -107.329
where: short stacking energy: -69.832
Base-Backbone interact. energy: -0.605
local terms energy: -65.623054
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -14.589
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: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -180.423030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.423030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.430135 (E_RNA)
where:
Base-Base interactions energy: -107.881
where: short stacking energy: -66.012
Base-Backbone interact. energy: -0.152
local terms energy: -72.396873
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -14.488
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: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -181.338360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.338360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.642016 (E_RNA)
where:
Base-Base interactions energy: -111.193
where: short stacking energy: -60.255
Base-Backbone interact. energy: -0.856
local terms energy: -69.593292
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.304 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -168.619459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.619459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.681763 (E_RNA)
where:
Base-Base interactions energy: -112.182
where: short stacking energy: -63.789
Base-Backbone interact. energy: -0.490
local terms energy: -56.010257
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -7.638
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: 487
Temperature: 1.300000
Total energy: -165.921782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.921782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.691914 (E_RNA)
where:
Base-Base interactions energy: -105.414
where: short stacking energy: -61.175
Base-Backbone interact. energy: -0.034
local terms energy: -61.243943
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.770 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -147.500809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.500809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.620196 (E_RNA)
where:
Base-Base interactions energy: -91.780
where: short stacking energy: -50.349
Base-Backbone interact. energy: -0.161
local terms energy: -55.679681
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -8.694
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: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -240.951019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.951019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.973301 (E_RNA)
where:
Base-Base interactions energy: -157.004
where: short stacking energy: -92.670
Base-Backbone interact. energy: -0.005
local terms energy: -83.964375
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -21.400
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: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -240.216498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.216498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.252510 (E_RNA)
where:
Base-Base interactions energy: -158.742
where: short stacking energy: -86.301
Base-Backbone interact. energy: -0.040
local terms energy: -81.471054
where:
bonds (distance) C4'-P energy: -17.107
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -22.439
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: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -225.364601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.364601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.485062 (E_RNA)
where:
Base-Base interactions energy: -147.096
where: short stacking energy: -79.310
Base-Backbone interact. energy: -0.174
local terms energy: -78.215303
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -21.236
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: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -193.475394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.475394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.482406 (E_RNA)
where:
Base-Base interactions energy: -114.029
where: short stacking energy: -72.693
Base-Backbone interact. energy: -0.870
local terms energy: -78.583158
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -18.358
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: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -172.399818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.399818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.527985 (E_RNA)
where:
Base-Base interactions energy: -106.043
where: short stacking energy: -66.269
Base-Backbone interact. energy: -0.230
local terms energy: -66.254935
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -169.515236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.515236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.679612 (E_RNA)
where:
Base-Base interactions energy: -104.021
where: short stacking energy: -52.182
Base-Backbone interact. energy: -0.447
local terms energy: -65.211141
where:
bonds (distance) C4'-P energy: -17.727
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -12.088
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: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -164.053124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.053124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.074105 (E_RNA)
where:
Base-Base interactions energy: -102.539
where: short stacking energy: -54.263
Base-Backbone interact. energy: -0.584
local terms energy: -60.950457
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -16.307
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: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -177.668545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.668545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.678594 (E_RNA)
where:
Base-Base interactions energy: -116.778
where: short stacking energy: -59.015
Base-Backbone interact. energy: -0.100
local terms energy: -60.801100
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -7.573
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: 488
Temperature: 1.300000
Total energy: -156.340527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.340527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.525298 (E_RNA)
where:
Base-Base interactions energy: -95.733
where: short stacking energy: -60.914
Base-Backbone interact. energy: -0.099
local terms energy: -60.693704
where:
bonds (distance) C4'-P energy: -6.818
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -15.616
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: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -161.280687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.280687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.973165 (E_RNA)
where:
Base-Base interactions energy: -98.779
where: short stacking energy: -44.585
Base-Backbone interact. energy: -0.341
local terms energy: -62.852755
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -6.237
Dist. restrs. and SS energy: 0.692 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -246.004828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.004828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.004828 (E_RNA)
where:
Base-Base interactions energy: -160.507
where: short stacking energy: -95.975
Base-Backbone interact. energy: -0.022
local terms energy: -85.475415
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -21.919
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: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -245.967868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.967868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.967868 (E_RNA)
where:
Base-Base interactions energy: -160.355
where: short stacking energy: -88.758
Base-Backbone interact. energy: -0.280
local terms energy: -85.333348
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -23.912
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: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -196.909204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.909204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.055420 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -64.239
Base-Backbone interact. energy: -0.009
local terms energy: -75.624286
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -188.939318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.939318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.939318 (E_RNA)
where:
Base-Base interactions energy: -116.368
where: short stacking energy: -61.595
Base-Backbone interact. energy: -0.166
local terms energy: -72.405184
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -11.943
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: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -185.661084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.661084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.715035 (E_RNA)
where:
Base-Base interactions energy: -111.042
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.867
local terms energy: -73.805769
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -18.231
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -14.897
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: 4
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -166.293441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.293441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.293441 (E_RNA)
where:
Base-Base interactions energy: -101.351
where: short stacking energy: -50.704
Base-Backbone interact. energy: -0.052
local terms energy: -64.890095
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: -0.000 (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: 489
Temperature: 1.200000
Total energy: -163.087625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.087625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.169426 (E_RNA)
where:
Base-Base interactions energy: -104.264
where: short stacking energy: -55.760
Base-Backbone interact. energy: -1.100
local terms energy: -57.805462
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -12.016
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: 489
Temperature: 1.250000
Total energy: -166.963353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.963353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.999533 (E_RNA)
where:
Base-Base interactions energy: -93.965
where: short stacking energy: -57.462
Base-Backbone interact. energy: -0.372
local terms energy: -72.662326
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -13.635
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: 2
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -159.454053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.454053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.650698 (E_RNA)
where:
Base-Base interactions energy: -110.695
where: short stacking energy: -59.176
Base-Backbone interact. energy: -1.003
local terms energy: -47.952056
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -8.090
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -4.551
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: 489
Temperature: 1.350000
Total energy: -154.979242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.979242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.202070 (E_RNA)
where:
Base-Base interactions energy: -91.164
where: short stacking energy: -49.482
Base-Backbone interact. energy: -0.686
local terms energy: -63.352234
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -7.160
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: 1, replica: 1
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -238.457889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.457889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.612649 (E_RNA)
where:
Base-Base interactions energy: -152.359
where: short stacking energy: -88.514
Base-Backbone interact. energy: -0.003
local terms energy: -86.251481
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -240.071595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.071595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.091243 (E_RNA)
where:
Base-Base interactions energy: -160.606
where: short stacking energy: -89.663
Base-Backbone interact. energy: -0.020
local terms energy: -79.464992
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -22.091
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: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -205.015225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.015225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.590078 (E_RNA)
where:
Base-Base interactions energy: -127.214
where: short stacking energy: -75.074
Base-Backbone interact. energy: -0.027
local terms energy: -78.348915
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.575 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -227.438690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.438690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.522600 (E_RNA)
where:
Base-Base interactions energy: -146.945
where: short stacking energy: -79.096
Base-Backbone interact. energy: -0.611
local terms energy: -79.966490
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -21.845
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: 490
Temperature: 1.100000
Total energy: -216.189564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.189564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.573995 (E_RNA)
where:
Base-Base interactions energy: -141.703
where: short stacking energy: -76.756
Base-Backbone interact. energy: -0.150
local terms energy: -74.720531
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -22.976
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: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -173.139538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.139538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.393789 (E_RNA)
where:
Base-Base interactions energy: -104.817
where: short stacking energy: -59.362
Base-Backbone interact. energy: -0.098
local terms energy: -69.478361
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -12.777
Dist. restrs. and SS energy: 1.254 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -159.646929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.646929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.802570 (E_RNA)
where:
Base-Base interactions energy: -101.550
where: short stacking energy: -54.458
Base-Backbone interact. energy: -0.891
local terms energy: -57.361549
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -10.161
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: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -160.403079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.403079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.149095 (E_RNA)
where:
Base-Base interactions energy: -93.917
where: short stacking energy: -50.225
Base-Backbone interact. energy: -0.182
local terms energy: -67.049685
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -13.233
Dist. restrs. and SS energy: 0.746 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -147.611475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.611475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.971095 (E_RNA)
where:
Base-Base interactions energy: -84.336
where: short stacking energy: -46.991
Base-Backbone interact. energy: 1.044
local terms energy: -64.678693
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -158.352961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.352961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.363613 (E_RNA)
where:
Base-Base interactions energy: -98.488
where: short stacking energy: -55.956
Base-Backbone interact. energy: 0.760
local terms energy: -60.635921
where:
bonds (distance) C4'-P energy: -11.907
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -9.738
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: 1
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -241.214726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.214726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.039531 (E_RNA)
where:
Base-Base interactions energy: -161.322
where: short stacking energy: -82.395
Base-Backbone interact. energy: -0.239
local terms energy: -80.477910
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -237.027751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.027751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.248752 (E_RNA)
where:
Base-Base interactions energy: -156.097
where: short stacking energy: -84.994
Base-Backbone interact. energy: -0.386
local terms energy: -80.765976
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -22.746
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: 3, replica: 9
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -240.964790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.964790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.115582 (E_RNA)
where:
Base-Base interactions energy: -156.998
where: short stacking energy: -90.469
Base-Backbone interact. energy: -0.027
local terms energy: -84.091359
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -23.252
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: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -232.715680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.715680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.816423 (E_RNA)
where:
Base-Base interactions energy: -155.805
where: short stacking energy: -77.207
Base-Backbone interact. energy: -0.166
local terms energy: -77.844993
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 1.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -206.139457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.139457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.163353 (E_RNA)
where:
Base-Base interactions energy: -136.996
where: short stacking energy: -68.926
Base-Backbone interact. energy: -0.276
local terms energy: -68.891498
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -18.559
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: 3
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -161.660783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.660783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.660783 (E_RNA)
where:
Base-Base interactions energy: -100.434
where: short stacking energy: -47.649
Base-Backbone interact. energy: -0.120
local terms energy: -61.106875
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: -0.000 (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: 491
Temperature: 1.200000
Total energy: -168.609327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.609327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.613550 (E_RNA)
where:
Base-Base interactions energy: -104.530
where: short stacking energy: -61.400
Base-Backbone interact. energy: -0.110
local terms energy: -63.973569
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -14.934
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: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -165.858479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.858479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.076772 (E_RNA)
where:
Base-Base interactions energy: -103.965
where: short stacking energy: -65.469
Base-Backbone interact. energy: -0.113
local terms energy: -61.998415
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -12.107
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: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -163.433160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.433160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.467623 (E_RNA)
where:
Base-Base interactions energy: -103.316
where: short stacking energy: -54.630
Base-Backbone interact. energy: 0.276
local terms energy: -60.427111
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -11.072
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: 10, replica: 2
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -146.535488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.535488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.559241 (E_RNA)
where:
Base-Base interactions energy: -97.876
where: short stacking energy: -44.906
Base-Backbone interact. energy: -0.956
local terms energy: -47.727350
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -1.508
tors. eta vs tors. theta energy: -4.440
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: 1, replica: 1
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -230.189983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.189983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.922039 (E_RNA)
where:
Base-Base interactions energy: -149.715
where: short stacking energy: -80.310
Base-Backbone interact. energy: -0.110
local terms energy: -82.096466
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 1.732 (S_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: 492
Temperature: 0.950000
Total energy: -238.062314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.062314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.091620 (E_RNA)
where:
Base-Base interactions energy: -156.176
where: short stacking energy: -85.776
Base-Backbone interact. energy: -0.087
local terms energy: -81.828634
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -22.034
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: 492
Temperature: 1.000000
Total energy: -224.450163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.450163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.864443 (E_RNA)
where:
Base-Base interactions energy: -147.184
where: short stacking energy: -76.350
Base-Backbone interact. energy: -0.576
local terms energy: -78.105029
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 1.414 (S_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: 492
Temperature: 1.050000
Total energy: -229.882018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.882018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.092045 (E_RNA)
where:
Base-Base interactions energy: -142.193
where: short stacking energy: -75.622
Base-Backbone interact. energy: -0.051
local terms energy: -88.848487
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 1.210 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -173.514976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.514976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.600125 (E_RNA)
where:
Base-Base interactions energy: -114.138
where: short stacking energy: -62.114
Base-Backbone interact. energy: -0.157
local terms energy: -59.305711
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -8.999
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -211.799647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.799647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.993302 (E_RNA)
where:
Base-Base interactions energy: -138.221
where: short stacking energy: -61.285
Base-Backbone interact. energy: -0.001
local terms energy: -73.770875
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -19.687
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: 8
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -175.833147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.833147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.843259 (E_RNA)
where:
Base-Base interactions energy: -107.887
where: short stacking energy: -59.705
Base-Backbone interact. energy: -0.142
local terms energy: -67.814131
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -17.203
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: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -176.416412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.416412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.881485 (E_RNA)
where:
Base-Base interactions energy: -115.490
where: short stacking energy: -55.940
Base-Backbone interact. energy: -1.288
local terms energy: -61.103452
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 1.465 (S_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: 492
Temperature: 1.300000
Total energy: -150.047228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.047228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.052665 (E_RNA)
where:
Base-Base interactions energy: -95.345
where: short stacking energy: -45.907
Base-Backbone interact. energy: -0.697
local terms energy: -54.010727
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -3.272
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: 2
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -149.372735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.372735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.485141 (E_RNA)
where:
Base-Base interactions energy: -89.749
where: short stacking energy: -49.136
Base-Backbone interact. energy: -0.259
local terms energy: -59.477548
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -221.140179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.140179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.256234 (E_RNA)
where:
Base-Base interactions energy: -141.281
where: short stacking energy: -74.021
Base-Backbone interact. energy: -0.951
local terms energy: -79.024376
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -238.066062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.066062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.078339 (E_RNA)
where:
Base-Base interactions energy: -152.362
where: short stacking energy: -85.275
Base-Backbone interact. energy: -0.601
local terms energy: -85.114654
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -23.378
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: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -208.132999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.132999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.292286 (E_RNA)
where:
Base-Base interactions energy: -128.859
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.324
local terms energy: -80.109205
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 1.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -219.349279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.349279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.250401 (E_RNA)
where:
Base-Base interactions energy: -146.773
where: short stacking energy: -79.620
Base-Backbone interact. energy: -0.110
local terms energy: -73.368221
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.901 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -168.476558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.476558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.547672 (E_RNA)
where:
Base-Base interactions energy: -95.292
where: short stacking energy: -47.289
Base-Backbone interact. energy: -1.294
local terms energy: -71.961774
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: -11.917
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: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -200.872116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.872116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.411126 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -69.097
Base-Backbone interact. energy: -0.583
local terms energy: -71.034565
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -19.184
Dist. restrs. and SS energy: 0.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -179.001622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.001622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.533580 (E_RNA)
where:
Base-Base interactions energy: -114.501
where: short stacking energy: -65.345
Base-Backbone interact. energy: -0.342
local terms energy: -64.691273
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -9.592
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -15.248
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: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -163.271352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.271352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.451881 (E_RNA)
where:
Base-Base interactions energy: -97.457
where: short stacking energy: -55.203
Base-Backbone interact. energy: -0.389
local terms energy: -65.605901
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -12.622
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: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -154.495549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.495549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.537503 (E_RNA)
where:
Base-Base interactions energy: -94.241
where: short stacking energy: -53.946
Base-Backbone interact. energy: -0.365
local terms energy: -59.931488
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -11.138
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: 2
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -149.405528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.405528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.605722 (E_RNA)
where:
Base-Base interactions energy: -89.126
where: short stacking energy: -48.356
Base-Backbone interact. energy: -0.085
local terms energy: -60.394689
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -238.350821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.350821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.382911 (E_RNA)
where:
Base-Base interactions energy: -156.673
where: short stacking energy: -82.021
Base-Backbone interact. energy: -0.325
local terms energy: -81.385176
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -22.980
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: 494
Temperature: 0.950000
Total energy: -228.850567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.850567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.860630 (E_RNA)
where:
Base-Base interactions energy: -147.154
where: short stacking energy: -67.386
Base-Backbone interact. energy: -0.058
local terms energy: -81.649026
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -20.540
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: 494
Temperature: 1.000000
Total energy: -200.741300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.741300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.197470 (E_RNA)
where:
Base-Base interactions energy: -129.756
where: short stacking energy: -64.423
Base-Backbone interact. energy: -0.715
local terms energy: -71.727079
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 1.456 (S_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: 494
Temperature: 1.050000
Total energy: -197.869956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.869956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.917752 (E_RNA)
where:
Base-Base interactions energy: -125.647
where: short stacking energy: -69.145
Base-Backbone interact. energy: 0.151
local terms energy: -72.421453
where:
bonds (distance) C4'-P energy: -8.361
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -17.149
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: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -194.863477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.863477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.938935 (E_RNA)
where:
Base-Base interactions energy: -126.160
where: short stacking energy: -50.238
Base-Backbone interact. energy: -0.629
local terms energy: -68.149803
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -11.882
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: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -175.676358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.033448 (E_RNA)
where:
Base-Base interactions energy: -111.217
where: short stacking energy: -68.929
Base-Backbone interact. energy: -0.622
local terms energy: -64.194826
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.357 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -171.185590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.185590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.253945 (E_RNA)
where:
Base-Base interactions energy: -98.844
where: short stacking energy: -55.573
Base-Backbone interact. energy: 0.350
local terms energy: -72.760155
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -13.965
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -155.506229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.506229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.750610 (E_RNA)
where:
Base-Base interactions energy: -91.570
where: short stacking energy: -48.330
Base-Backbone interact. energy: -1.399
local terms energy: -62.781342
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.244 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -158.716675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.716675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.802486 (E_RNA)
where:
Base-Base interactions energy: -102.561
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.392
local terms energy: -55.849558
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -10.300
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: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -143.776385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.776385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.361983 (E_RNA)
where:
Base-Base interactions energy: -87.510
where: short stacking energy: -46.398
Base-Backbone interact. energy: -0.168
local terms energy: -56.684577
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.586 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -241.818535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.818535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.931896 (E_RNA)
where:
Base-Base interactions energy: -153.289
where: short stacking energy: -86.170
Base-Backbone interact. energy: -0.075
local terms energy: -88.568460
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -24.881
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: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -213.887995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.887995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.968377 (E_RNA)
where:
Base-Base interactions energy: -142.571
where: short stacking energy: -67.899
Base-Backbone interact. energy: -0.239
local terms energy: -72.158391
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -18.281
Dist. restrs. and SS energy: 1.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -200.278116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.278116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.278116 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -67.194
Base-Backbone interact. energy: -0.163
local terms energy: -75.080201
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: -0.000 (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: 495
Temperature: 1.050000
Total energy: -202.572411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.572411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.169515 (E_RNA)
where:
Base-Base interactions energy: -125.694
where: short stacking energy: -68.668
Base-Backbone interact. energy: 1.495
local terms energy: -78.970238
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -207.394259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.394259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.588901 (E_RNA)
where:
Base-Base interactions energy: -137.436
where: short stacking energy: -75.121
Base-Backbone interact. energy: -0.062
local terms energy: -71.090516
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 1.195 (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: 3
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -194.196396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.196396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.249878 (E_RNA)
where:
Base-Base interactions energy: -121.071
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.001
local terms energy: -73.178167
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -19.272
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: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -159.585272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.585272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.786302 (E_RNA)
where:
Base-Base interactions energy: -99.061
where: short stacking energy: -64.590
Base-Backbone interact. energy: 0.216
local terms energy: -60.940613
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -10.419
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -13.192
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: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -155.659330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.659330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.718908 (E_RNA)
where:
Base-Base interactions energy: -91.551
where: short stacking energy: -44.489
Base-Backbone interact. energy: -0.117
local terms energy: -64.050874
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -7.207
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: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -164.778223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.778223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.228814 (E_RNA)
where:
Base-Base interactions energy: -102.404
where: short stacking energy: -51.804
Base-Backbone interact. energy: -0.003
local terms energy: -62.821891
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -142.301171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.301171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.464208 (E_RNA)
where:
Base-Base interactions energy: -80.961
where: short stacking energy: -41.161
Base-Backbone interact. energy: 2.684
local terms energy: -64.186884
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -5.917
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: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -232.608779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.608779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.946932 (E_RNA)
where:
Base-Base interactions energy: -146.571
where: short stacking energy: -85.257
Base-Backbone interact. energy: -0.013
local terms energy: -86.362304
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -22.622
Dist. restrs. and SS energy: 0.338 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -235.983185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.983185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.082258 (E_RNA)
where:
Base-Base interactions energy: -156.163
where: short stacking energy: -86.010
Base-Backbone interact. energy: -0.007
local terms energy: -79.912288
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -21.397
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: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -234.467419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.467419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.483363 (E_RNA)
where:
Base-Base interactions energy: -154.540
where: short stacking energy: -81.065
Base-Backbone interact. energy: -0.010
local terms energy: -79.933007
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -22.748
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: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -209.181385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.181385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.281690 (E_RNA)
where:
Base-Base interactions energy: -131.425
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.217
local terms energy: -77.639495
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -20.254
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: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -177.830907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.830907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.844438 (E_RNA)
where:
Base-Base interactions energy: -111.841
where: short stacking energy: -65.781
Base-Backbone interact. energy: -0.601
local terms energy: -65.402786
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -7.053
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -15.799
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: 496
Temperature: 1.150000
Total energy: -187.311188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.311188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.664650 (E_RNA)
where:
Base-Base interactions energy: -120.419
where: short stacking energy: -64.064
Base-Backbone interact. energy: -0.004
local terms energy: -69.242230
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 2.353 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -166.135628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.135628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.201832 (E_RNA)
where:
Base-Base interactions energy: -102.792
where: short stacking energy: -62.683
Base-Backbone interact. energy: -0.076
local terms energy: -63.333217
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -10.225
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: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -164.842206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.842206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.853234 (E_RNA)
where:
Base-Base interactions energy: -95.912
where: short stacking energy: -51.907
Base-Backbone interact. energy: -0.934
local terms energy: -68.006780
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -11.525
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: 496
Temperature: 1.300000
Total energy: -154.124819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.124819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.124819 (E_RNA)
where:
Base-Base interactions energy: -92.767
where: short stacking energy: -44.825
Base-Backbone interact. energy: 0.092
local terms energy: -61.450317
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -6.021
Dist. restrs. and SS energy: -0.000 (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: 496
Temperature: 1.350000
Total energy: -149.137008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.137008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.380403 (E_RNA)
where:
Base-Base interactions energy: -94.242
where: short stacking energy: -51.756
Base-Backbone interact. energy: -1.902
local terms energy: -53.236100
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: -7.055
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -239.474743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.474743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.448021 (E_RNA)
where:
Base-Base interactions energy: -156.116
where: short stacking energy: -85.125
Base-Backbone interact. energy: -0.008
local terms energy: -84.324269
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -24.356
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: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -243.924214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.924214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.045162 (E_RNA)
where:
Base-Base interactions energy: -160.922
where: short stacking energy: -82.644
Base-Backbone interact. energy: -0.149
local terms energy: -82.974313
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -22.871
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: 7
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -227.837537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.837537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.560175 (E_RNA)
where:
Base-Base interactions energy: -153.219
where: short stacking energy: -79.114
Base-Backbone interact. energy: -0.368
local terms energy: -74.973568
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -183.309689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.309689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.326622 (E_RNA)
where:
Base-Base interactions energy: -119.295
where: short stacking energy: -51.325
Base-Backbone interact. energy: -0.780
local terms energy: -63.251513
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -166.912590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.912590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.363612 (E_RNA)
where:
Base-Base interactions energy: -103.427
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.183
local terms energy: -63.753906
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -9.497
Dist. restrs. and SS energy: 0.451 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -168.265331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.265331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.288144 (E_RNA)
where:
Base-Base interactions energy: -98.810
where: short stacking energy: -53.671
Base-Backbone interact. energy: -0.488
local terms energy: -68.990086
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -11.127
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: 497
Temperature: 1.200000
Total energy: -181.274116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.274116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.291950 (E_RNA)
where:
Base-Base interactions energy: -116.787
where: short stacking energy: -54.219
Base-Backbone interact. energy: 0.557
local terms energy: -65.062347
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -16.798
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: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -164.982589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.982589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.039190 (E_RNA)
where:
Base-Base interactions energy: -102.454
where: short stacking energy: -54.752
Base-Backbone interact. energy: -0.130
local terms energy: -62.455252
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -11.424
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: 497
Temperature: 1.300000
Total energy: -160.213874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.213874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.276656 (E_RNA)
where:
Base-Base interactions energy: -97.778
where: short stacking energy: -53.359
Base-Backbone interact. energy: -0.021
local terms energy: -62.477710
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -11.400
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: 2
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -166.634583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.634583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.843454 (E_RNA)
where:
Base-Base interactions energy: -102.053
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.166
local terms energy: -64.624345
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -238.806853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.806853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.101340 (E_RNA)
where:
Base-Base interactions energy: -151.625
where: short stacking energy: -81.290
Base-Backbone interact. energy: -0.273
local terms energy: -87.203852
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -21.665
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -234.725981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.725981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.294236 (E_RNA)
where:
Base-Base interactions energy: -162.028
where: short stacking energy: -78.390
Base-Backbone interact. energy: -0.006
local terms energy: -73.260446
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -221.625478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.625478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.648518 (E_RNA)
where:
Base-Base interactions energy: -148.462
where: short stacking energy: -73.652
Base-Backbone interact. energy: -0.031
local terms energy: -73.155657
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -19.306
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: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -198.428714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.428714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.622608 (E_RNA)
where:
Base-Base interactions energy: -124.595
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.049
local terms energy: -73.978798
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -16.477
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: 9
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -187.866227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.866227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.160107 (E_RNA)
where:
Base-Base interactions energy: -123.364
where: short stacking energy: -68.012
Base-Backbone interact. energy: -0.100
local terms energy: -64.695655
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -162.911538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.911538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.973618 (E_RNA)
where:
Base-Base interactions energy: -106.201
where: short stacking energy: -66.323
Base-Backbone interact. energy: -0.099
local terms energy: -56.672968
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -171.630451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.630451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.782618 (E_RNA)
where:
Base-Base interactions energy: -109.519
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.540
local terms energy: -61.724158
where:
bonds (distance) C4'-P energy: -6.433
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -14.502
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: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -156.618373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.618373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.939380 (E_RNA)
where:
Base-Base interactions energy: -95.840
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.112
local terms energy: -60.987200
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -10.851
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: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -159.710252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.710252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.799025 (E_RNA)
where:
Base-Base interactions energy: -93.872
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.061
local terms energy: -65.865973
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -13.917
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: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -159.237910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.237910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.268506 (E_RNA)
where:
Base-Base interactions energy: -88.610
where: short stacking energy: -44.785
Base-Backbone interact. energy: -0.853
local terms energy: -69.806007
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -9.325
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: 1
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -234.567153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.567153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.174582 (E_RNA)
where:
Base-Base interactions energy: -153.116
where: short stacking energy: -91.461
Base-Backbone interact. energy: -0.030
local terms energy: -82.028982
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -230.182746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.182746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.929745 (E_RNA)
where:
Base-Base interactions energy: -145.751
where: short stacking energy: -81.523
Base-Backbone interact. energy: -1.353
local terms energy: -83.825746
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -22.505
Dist. restrs. and SS energy: 0.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -224.958946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.958946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.027456 (E_RNA)
where:
Base-Base interactions energy: -139.930
where: short stacking energy: -78.521
Base-Backbone interact. energy: -0.216
local terms energy: -84.881153
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -223.552414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.552414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.086094 (E_RNA)
where:
Base-Base interactions energy: -141.207
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.005
local terms energy: -82.874160
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -22.543
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: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -188.094105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.094105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.236584 (E_RNA)
where:
Base-Base interactions energy: -116.113
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.095
local terms energy: -72.028277
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -180.114234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.114234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.226524 (E_RNA)
where:
Base-Base interactions energy: -113.090
where: short stacking energy: -73.145
Base-Backbone interact. energy: -0.046
local terms energy: -67.090092
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -163.534417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.534417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.534417 (E_RNA)
where:
Base-Base interactions energy: -95.703
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.005
local terms energy: -67.825937
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -7.047
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: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -199.216219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.216219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.216219 (E_RNA)
where:
Base-Base interactions energy: -133.130
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.019
local terms energy: -66.067234
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -17.185
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: 9, replica: 8
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -147.825790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.825790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.825790 (E_RNA)
where:
Base-Base interactions energy: -90.364
where: short stacking energy: -49.564
Base-Backbone interact. energy: -0.042
local terms energy: -57.420776
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -7.144
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: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -142.429395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.429395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.479038 (E_RNA)
where:
Base-Base interactions energy: -77.813
where: short stacking energy: -37.937
Base-Backbone interact. energy: -1.939
local terms energy: -62.727745
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -6.136
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: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -233.039977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.039977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.198506 (E_RNA)
where:
Base-Base interactions energy: -153.087
where: short stacking energy: -79.242
Base-Backbone interact. energy: -0.007
local terms energy: -82.104868
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 2.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -235.021683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.021683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.364125 (E_RNA)
where:
Base-Base interactions energy: -154.274
where: short stacking energy: -80.870
Base-Backbone interact. energy: -0.021
local terms energy: -81.069375
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -13.819
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.342 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -224.072385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.072385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.115169 (E_RNA)
where:
Base-Base interactions energy: -142.459
where: short stacking energy: -78.090
Base-Backbone interact. energy: -0.006
local terms energy: -81.650810
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -18.645
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: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -224.473584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.473584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.477394 (E_RNA)
where:
Base-Base interactions energy: -145.846
where: short stacking energy: -81.345
Base-Backbone interact. energy: -0.033
local terms energy: -78.598775
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -25.259
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: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -184.593195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.593195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.215787 (E_RNA)
where:
Base-Base interactions energy: -113.877
where: short stacking energy: -67.488
Base-Backbone interact. energy: -0.168
local terms energy: -71.170866
where:
bonds (distance) C4'-P energy: -17.223
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -170.904180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.904180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.053584 (E_RNA)
where:
Base-Base interactions energy: -103.783
where: short stacking energy: -60.763
Base-Backbone interact. energy: -0.794
local terms energy: -66.476307
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -165.636841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.636841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.723472 (E_RNA)
where:
Base-Base interactions energy: -100.280
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.004
local terms energy: -65.438661
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -12.365
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: 2
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -157.084824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.084824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.255777 (E_RNA)
where:
Base-Base interactions energy: -92.953
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.003
local terms energy: -64.299779
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -4.569
tors. eta vs tors. theta energy: -12.001
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: 8
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -163.967549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.967549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.914763 (E_RNA)
where:
Base-Base interactions energy: -102.314
where: short stacking energy: -58.067
Base-Backbone interact. energy: -0.239
local terms energy: -62.361008
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -10.168
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -12.562
Dist. restrs. and SS energy: 0.947 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -157.404859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.404859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.428541 (E_RNA)
where:
Base-Base interactions energy: -101.741
where: short stacking energy: -61.450
Base-Backbone interact. energy: -0.275
local terms energy: -55.412756
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -11.530
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: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -235.928420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.928420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.824492 (E_RNA)
where:
Base-Base interactions energy: -155.302
where: short stacking energy: -81.993
Base-Backbone interact. energy: -0.012
local terms energy: -81.510623
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -23.808
Dist. restrs. and SS energy: 0.896 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -216.905582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.905582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.727056 (E_RNA)
where:
Base-Base interactions energy: -144.980
where: short stacking energy: -73.890
Base-Backbone interact. energy: -0.038
local terms energy: -72.709501
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -232.540794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.540794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.151250 (E_RNA)
where:
Base-Base interactions energy: -152.015
where: short stacking energy: -81.784
Base-Backbone interact. energy: -0.006
local terms energy: -81.129731
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 0.610 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -213.518202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.518202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.347080 (E_RNA)
where:
Base-Base interactions energy: -140.671
where: short stacking energy: -71.171
Base-Backbone interact. energy: -0.393
local terms energy: -74.282946
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 1.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -192.268017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.268017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.287777 (E_RNA)
where:
Base-Base interactions energy: -128.126
where: short stacking energy: -64.235
Base-Backbone interact. energy: -0.522
local terms energy: -63.639094
where:
bonds (distance) C4'-P energy: -7.725
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -16.683
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: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -181.160863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.160863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.413974 (E_RNA)
where:
Base-Base interactions energy: -109.245
where: short stacking energy: -64.961
Base-Backbone interact. energy: -0.027
local terms energy: -72.141742
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -167.862034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.862034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.995523 (E_RNA)
where:
Base-Base interactions energy: -106.625
where: short stacking energy: -55.787
Base-Backbone interact. energy: -0.706
local terms energy: -60.664479
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -12.620
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: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -167.715641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.715641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.751926 (E_RNA)
where:
Base-Base interactions energy: -103.492
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.109
local terms energy: -64.151041
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -14.592
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: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -143.709675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.709675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.760760 (E_RNA)
where:
Base-Base interactions energy: -85.405
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.185
local terms energy: -58.171305
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -9.489
tors. eta vs tors. theta energy: -5.645
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: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -142.811911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.811911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.229233 (E_RNA)
where:
Base-Base interactions energy: -84.913
where: short stacking energy: -34.997
Base-Backbone interact. energy: -2.034
local terms energy: -56.281812
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.417 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14543148
moves confirmed later: 16544176
all moves confirmed: 31087324
percent of confirmed moves: 3.885915
current total energy: -216.241019
recalc. total energy: -216.241019
replica 5 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 15705370
moves confirmed later: 18190531
all moves confirmed: 33895901
percent of confirmed moves: 4.236988
current total energy: -194.523316
recalc. total energy: -194.523316
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15389211
moves confirmed later: 17750864
all moves confirmed: 33140075
percent of confirmed moves: 4.142509
current total energy: -194.491990
recalc. total energy: -194.491990
replica 1 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 16197141
moves confirmed later: 18847276
all moves confirmed: 35044417
percent of confirmed moves: 4.380552
current total energy: -177.779083
recalc. total energy: -177.779083
replica 6 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 15675217
moves confirmed later: 18136707
all moves confirmed: 33811924
percent of confirmed moves: 4.226490
current total energy: -143.174792
recalc. total energy: -143.174792
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 14974780
moves confirmed later: 17189544
all moves confirmed: 32164324
percent of confirmed moves: 4.020541
current total energy: -151.721515
recalc. total energy: -151.721515
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 17058143
moves confirmed later: 20091674
all moves confirmed: 37149817
percent of confirmed moves: 4.643727
current total energy: -140.800262
recalc. total energy: -140.800262
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 15909577
moves confirmed later: 18467445
all moves confirmed: 34377022
percent of confirmed moves: 4.297128
current total energy: -125.988861
recalc. total energy: -125.988861
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 15279642
moves confirmed later: 17618757
all moves confirmed: 32898399
percent of confirmed moves: 4.112300
current total energy: -111.908237
recalc. total energy: -111.908237
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 14690637
moves confirmed later: 16779733
all moves confirmed: 31470370
percent of confirmed moves: 3.933796
current total energy: -124.011271
recalc. total energy: -124.011271
out arg RESULTS//1/rna_mod_1-0a1c07d5_01
Time of doing 8000000 iterations: 3442.044 seconds