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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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/Aptamer-ac4d3cda/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Aptamer-ac4d3cda/inputs/seq.fa: 1
curr_seq: _GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGGAACUGAGCAGGCAAUGACCAGAGCGGUCAUGCAGCCGGGCUGCGAAAGCGGCAACAGAUGAUUACACGCACAUCUGUGGGACAGUUCCCAC
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 94 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: 475
n_atoms_counter: 475
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 94.000000 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: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -368.753586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.753586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.753586 (E_RNA)
where:
Base-Base interactions energy: -2.647
where: short stacking energy: -2.647
Base-Backbone interact. energy: -0.000
local terms energy: -366.106317
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -41.821
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -528.668722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.668722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.668722 (E_RNA)
where:
Base-Base interactions energy: -231.243
where: short stacking energy: -231.243
Base-Backbone interact. energy: -0.137
local terms energy: -297.289314
where:
bonds (distance) C4'-P energy: -67.646
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -67.715
flat angles P-C4'-P energy: -41.045
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -495.772130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.772130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.772130 (E_RNA)
where:
Base-Base interactions energy: -222.185
where: short stacking energy: -214.524
Base-Backbone interact. energy: -0.749
local terms energy: -272.838093
where:
bonds (distance) C4'-P energy: -62.884
bonds (distance) P-C4' energy: -59.019
flat angles C4'-P-C4' energy: -59.274
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -49.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -448.695855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.695855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.695855 (E_RNA)
where:
Base-Base interactions energy: -192.133
where: short stacking energy: -191.752
Base-Backbone interact. energy: -0.046
local terms energy: -256.516784
where:
bonds (distance) C4'-P energy: -55.303
bonds (distance) P-C4' energy: -57.074
flat angles C4'-P-C4' energy: -57.710
flat angles P-C4'-P energy: -43.045
tors. eta vs tors. theta energy: -43.385
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -415.245223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.245223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.245223 (E_RNA)
where:
Base-Base interactions energy: -175.924
where: short stacking energy: -172.042
Base-Backbone interact. energy: -0.117
local terms energy: -239.204022
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -57.388
flat angles P-C4'-P energy: -35.014
tors. eta vs tors. theta energy: -37.380
Dist. restrs. and SS energy: 0.000 (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: 2
Temperature: 1.100000
Total energy: -383.674117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.674117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.674117 (E_RNA)
where:
Base-Base interactions energy: -137.288
where: short stacking energy: -135.484
Base-Backbone interact. energy: -0.206
local terms energy: -246.179810
where:
bonds (distance) C4'-P energy: -63.134
bonds (distance) P-C4' energy: -59.050
flat angles C4'-P-C4' energy: -52.237
flat angles P-C4'-P energy: -45.865
tors. eta vs tors. theta energy: -25.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -376.649853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.649853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.649853 (E_RNA)
where:
Base-Base interactions energy: -178.062
where: short stacking energy: -118.162
Base-Backbone interact. energy: -1.753
local terms energy: -196.835092
where:
bonds (distance) C4'-P energy: -39.440
bonds (distance) P-C4' energy: -61.491
flat angles C4'-P-C4' energy: -49.451
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -9.900
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: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -368.151588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.151588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.151588 (E_RNA)
where:
Base-Base interactions energy: -2.985
where: short stacking energy: -2.985
Base-Backbone interact. energy: -0.000
local terms energy: -365.166618
where:
bonds (distance) C4'-P energy: -91.096
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -78.837
tors. eta vs tors. theta energy: -42.120
Dist. restrs. and SS energy: 0.000 (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: 2
Temperature: 1.250000
Total energy: -368.188632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.188632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.188632 (E_RNA)
where:
Base-Base interactions energy: -2.985
where: short stacking energy: -2.985
Base-Backbone interact. energy: -0.000
local terms energy: -365.203860
where:
bonds (distance) C4'-P energy: -91.096
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -42.120
Dist. restrs. and SS energy: 0.000 (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: 2
Temperature: 1.300000
Total energy: -368.583562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.583562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.583562 (E_RNA)
where:
Base-Base interactions energy: -3.380
where: short stacking energy: -3.380
Base-Backbone interact. energy: -0.000
local terms energy: -365.203860
where:
bonds (distance) C4'-P energy: -91.096
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -42.120
Dist. restrs. and SS energy: 0.000 (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: 2
Temperature: 1.350000
Total energy: -368.583172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.583172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.583172 (E_RNA)
where:
Base-Base interactions energy: -3.379
where: short stacking energy: -3.379
Base-Backbone interact. energy: -0.000
local terms energy: -365.203860
where:
bonds (distance) C4'-P energy: -91.096
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -42.120
Dist. restrs. and SS energy: 0.000 (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: 3
Temperature: 0.900000
Total energy: -536.092370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.092370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.092370 (E_RNA)
where:
Base-Base interactions energy: -255.689
where: short stacking energy: -219.761
Base-Backbone interact. energy: -0.401
local terms energy: -280.001854
where:
bonds (distance) C4'-P energy: -63.735
bonds (distance) P-C4' energy: -71.135
flat angles C4'-P-C4' energy: -57.294
flat angles P-C4'-P energy: -39.687
tors. eta vs tors. theta energy: -48.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -530.249497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.249497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.249497 (E_RNA)
where:
Base-Base interactions energy: -285.060
where: short stacking energy: -203.041
Base-Backbone interact. energy: -0.374
local terms energy: -244.815887
where:
bonds (distance) C4'-P energy: -51.423
bonds (distance) P-C4' energy: -50.593
flat angles C4'-P-C4' energy: -56.858
flat angles P-C4'-P energy: -41.453
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (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: 3
Temperature: 1.000000
Total energy: -471.520434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.520434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.520434 (E_RNA)
where:
Base-Base interactions energy: -200.659
where: short stacking energy: -187.535
Base-Backbone interact. energy: -0.621
local terms energy: -270.240643
where:
bonds (distance) C4'-P energy: -66.021
bonds (distance) P-C4' energy: -65.925
flat angles C4'-P-C4' energy: -63.613
flat angles P-C4'-P energy: -36.031
tors. eta vs tors. theta energy: -38.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -484.354078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.354078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.354078 (E_RNA)
where:
Base-Base interactions energy: -242.957
where: short stacking energy: -166.308
Base-Backbone interact. energy: -1.110
local terms energy: -240.286906
where:
bonds (distance) C4'-P energy: -62.620
bonds (distance) P-C4' energy: -51.771
flat angles C4'-P-C4' energy: -59.568
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -32.064
Dist. restrs. and SS energy: 0.000 (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: 3
Temperature: 1.100000
Total energy: -400.556588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.556588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.556588 (E_RNA)
where:
Base-Base interactions energy: -169.733
where: short stacking energy: -154.279
Base-Backbone interact. energy: -1.391
local terms energy: -229.432401
where:
bonds (distance) C4'-P energy: -49.712
bonds (distance) P-C4' energy: -58.166
flat angles C4'-P-C4' energy: -55.457
flat angles P-C4'-P energy: -34.376
tors. eta vs tors. theta energy: -31.722
Dist. restrs. and SS energy: 0.000 (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: 3
Temperature: 1.150000
Total energy: -397.008912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.008912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.008912 (E_RNA)
where:
Base-Base interactions energy: -189.623
where: short stacking energy: -125.582
Base-Backbone interact. energy: -0.367
local terms energy: -207.018885
where:
bonds (distance) C4'-P energy: -55.298
bonds (distance) P-C4' energy: -56.488
flat angles C4'-P-C4' energy: -45.854
flat angles P-C4'-P energy: -31.295
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -354.789530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.789530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.789530 (E_RNA)
where:
Base-Base interactions energy: -151.422
where: short stacking energy: -131.200
Base-Backbone interact. energy: 1.317
local terms energy: -204.684696
where:
bonds (distance) C4'-P energy: -54.061
bonds (distance) P-C4' energy: -55.503
flat angles C4'-P-C4' energy: -46.405
flat angles P-C4'-P energy: -33.594
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.000 (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: 3
Temperature: 1.250000
Total energy: -324.268143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.268143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.268143 (E_RNA)
where:
Base-Base interactions energy: -135.678
where: short stacking energy: -99.266
Base-Backbone interact. energy: -0.405
local terms energy: -188.185158
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -59.669
flat angles C4'-P-C4' energy: -43.927
flat angles P-C4'-P energy: -18.944
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (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: 3
Temperature: 1.300000
Total energy: -321.126037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.126037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.126037 (E_RNA)
where:
Base-Base interactions energy: -127.090
where: short stacking energy: -103.566
Base-Backbone interact. energy: 0.514
local terms energy: -194.549889
where:
bonds (distance) C4'-P energy: -49.606
bonds (distance) P-C4' energy: -60.077
flat angles C4'-P-C4' energy: -57.379
flat angles P-C4'-P energy: -26.062
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (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: 3
Temperature: 1.350000
Total energy: -258.560202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.560202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.560202 (E_RNA)
where:
Base-Base interactions energy: -113.092
where: short stacking energy: -80.646
Base-Backbone interact. energy: -0.665
local terms energy: -144.803086
where:
bonds (distance) C4'-P energy: -35.365
bonds (distance) P-C4' energy: -49.560
flat angles C4'-P-C4' energy: -34.302
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: 10.240
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: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -568.260871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.260871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.260871 (E_RNA)
where:
Base-Base interactions energy: -289.540
where: short stacking energy: -245.273
Base-Backbone interact. energy: -1.828
local terms energy: -276.892833
where:
bonds (distance) C4'-P energy: -54.432
bonds (distance) P-C4' energy: -56.680
flat angles C4'-P-C4' energy: -65.374
flat angles P-C4'-P energy: -47.342
tors. eta vs tors. theta energy: -53.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -620.896618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.896618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.896618 (E_RNA)
where:
Base-Base interactions energy: -337.222
where: short stacking energy: -222.585
Base-Backbone interact. energy: -0.284
local terms energy: -283.390693
where:
bonds (distance) C4'-P energy: -56.902
bonds (distance) P-C4' energy: -66.933
flat angles C4'-P-C4' energy: -61.290
flat angles P-C4'-P energy: -39.433
tors. eta vs tors. theta energy: -58.833
Dist. restrs. and SS energy: 0.000 (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: 4
Temperature: 1.000000
Total energy: -614.329274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.329274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.329274 (E_RNA)
where:
Base-Base interactions energy: -359.416
where: short stacking energy: -204.534
Base-Backbone interact. energy: -0.180
local terms energy: -254.732627
where:
bonds (distance) C4'-P energy: -55.105
bonds (distance) P-C4' energy: -63.618
flat angles C4'-P-C4' energy: -46.389
flat angles P-C4'-P energy: -38.633
tors. eta vs tors. theta energy: -50.988
Dist. restrs. and SS energy: 0.000 (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: 4
Temperature: 1.050000
Total energy: -500.747636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.747636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.747636 (E_RNA)
where:
Base-Base interactions energy: -261.616
where: short stacking energy: -172.797
Base-Backbone interact. energy: -1.134
local terms energy: -237.998210
where:
bonds (distance) C4'-P energy: -51.925
bonds (distance) P-C4' energy: -64.914
flat angles C4'-P-C4' energy: -52.788
flat angles P-C4'-P energy: -37.049
tors. eta vs tors. theta energy: -31.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -508.997949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.997949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.997949 (E_RNA)
where:
Base-Base interactions energy: -282.356
where: short stacking energy: -161.386
Base-Backbone interact. energy: -0.541
local terms energy: -226.101060
where:
bonds (distance) C4'-P energy: -53.591
bonds (distance) P-C4' energy: -57.476
flat angles C4'-P-C4' energy: -49.371
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -30.525
Dist. restrs. and SS energy: 0.000 (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: 4
Temperature: 1.150000
Total energy: -336.607409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.607409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.607409 (E_RNA)
where:
Base-Base interactions energy: -140.275
where: short stacking energy: -106.653
Base-Backbone interact. energy: -0.177
local terms energy: -196.155812
where:
bonds (distance) C4'-P energy: -58.394
bonds (distance) P-C4' energy: -54.940
flat angles C4'-P-C4' energy: -52.240
flat angles P-C4'-P energy: -34.818
tors. eta vs tors. theta energy: 4.236
Dist. restrs. and SS energy: 0.000 (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: 4
Temperature: 1.200000
Total energy: -350.818001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.818001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.818001 (E_RNA)
where:
Base-Base interactions energy: -142.017
where: short stacking energy: -139.565
Base-Backbone interact. energy: -0.514
local terms energy: -208.287065
where:
bonds (distance) C4'-P energy: -45.044
bonds (distance) P-C4' energy: -65.370
flat angles C4'-P-C4' energy: -48.474
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -18.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -372.311740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.311740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.311740 (E_RNA)
where:
Base-Base interactions energy: -178.451
where: short stacking energy: -107.938
Base-Backbone interact. energy: 0.410
local terms energy: -194.271197
where:
bonds (distance) C4'-P energy: -56.569
bonds (distance) P-C4' energy: -54.210
flat angles C4'-P-C4' energy: -42.964
flat angles P-C4'-P energy: -29.195
tors. eta vs tors. theta energy: -11.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -291.717901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.717901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.717901 (E_RNA)
where:
Base-Base interactions energy: -136.297
where: short stacking energy: -86.100
Base-Backbone interact. energy: 2.206
local terms energy: -157.626425
where:
bonds (distance) C4'-P energy: -44.379
bonds (distance) P-C4' energy: -38.917
flat angles C4'-P-C4' energy: -52.934
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: 8.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -254.396173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.396173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.396173 (E_RNA)
where:
Base-Base interactions energy: -93.115
where: short stacking energy: -77.794
Base-Backbone interact. energy: 3.258
local terms energy: -164.538709
where:
bonds (distance) C4'-P energy: -55.924
bonds (distance) P-C4' energy: -52.055
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: 10.715
Dist. restrs. and SS energy: 0.000 (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: 5
Temperature: 0.900000
Total energy: -621.011501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.011501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.011501 (E_RNA)
where:
Base-Base interactions energy: -359.278
where: short stacking energy: -217.937
Base-Backbone interact. energy: -1.025
local terms energy: -260.708053
where:
bonds (distance) C4'-P energy: -55.446
bonds (distance) P-C4' energy: -59.248
flat angles C4'-P-C4' energy: -69.318
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -48.258
Dist. restrs. and SS energy: 0.000 (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: 5
Temperature: 0.950000
Total energy: -676.787269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.787269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.787269 (E_RNA)
where:
Base-Base interactions energy: -400.885
where: short stacking energy: -233.634
Base-Backbone interact. energy: 0.873
local terms energy: -276.776063
where:
bonds (distance) C4'-P energy: -55.531
bonds (distance) P-C4' energy: -63.931
flat angles C4'-P-C4' energy: -63.406
flat angles P-C4'-P energy: -41.325
tors. eta vs tors. theta energy: -52.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -576.792544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.792544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.792544 (E_RNA)
where:
Base-Base interactions energy: -332.138
where: short stacking energy: -189.128
Base-Backbone interact. energy: -1.461
local terms energy: -243.193134
where:
bonds (distance) C4'-P energy: -61.808
bonds (distance) P-C4' energy: -62.832
flat angles C4'-P-C4' energy: -47.953
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: -38.613
Dist. restrs. and SS energy: 0.000 (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: 5
Temperature: 1.050000
Total energy: -576.069893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.069893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.069893 (E_RNA)
where:
Base-Base interactions energy: -333.784
where: short stacking energy: -167.201
Base-Backbone interact. energy: -1.158
local terms energy: -241.127583
where:
bonds (distance) C4'-P energy: -54.307
bonds (distance) P-C4' energy: -55.525
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -41.106
tors. eta vs tors. theta energy: -29.326
Dist. restrs. and SS energy: 0.000 (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: 5
Temperature: 1.100000
Total energy: -533.119912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.119912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.119912 (E_RNA)
where:
Base-Base interactions energy: -326.134
where: short stacking energy: -166.991
Base-Backbone interact. energy: 0.101
local terms energy: -207.087187
where:
bonds (distance) C4'-P energy: -54.048
bonds (distance) P-C4' energy: -57.017
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -23.715
Dist. restrs. and SS energy: 0.000 (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: 5
Temperature: 1.150000
Total energy: -386.249829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.249829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.249829 (E_RNA)
where:
Base-Base interactions energy: -192.186
where: short stacking energy: -136.559
Base-Backbone interact. energy: -0.956
local terms energy: -193.107975
where:
bonds (distance) C4'-P energy: -52.025
bonds (distance) P-C4' energy: -52.260
flat angles C4'-P-C4' energy: -55.621
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -12.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -367.644642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.644642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.644642 (E_RNA)
where:
Base-Base interactions energy: -177.137
where: short stacking energy: -115.358
Base-Backbone interact. energy: -1.802
local terms energy: -188.706279
where:
bonds (distance) C4'-P energy: -52.100
bonds (distance) P-C4' energy: -48.165
flat angles C4'-P-C4' energy: -52.851
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (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: -390.781216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.781216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.781216 (E_RNA)
where:
Base-Base interactions energy: -190.620
where: short stacking energy: -115.430
Base-Backbone interact. energy: 3.147
local terms energy: -203.308608
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -52.491
flat angles P-C4'-P energy: -41.859
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -344.625383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.625383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.625383 (E_RNA)
where:
Base-Base interactions energy: -153.304
where: short stacking energy: -103.407
Base-Backbone interact. energy: -1.273
local terms energy: -190.049282
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -62.682
flat angles C4'-P-C4' energy: -41.455
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -12.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -282.560845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.560845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.560845 (E_RNA)
where:
Base-Base interactions energy: -104.098
where: short stacking energy: -73.131
Base-Backbone interact. energy: -0.264
local terms energy: -178.198441
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -45.042
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (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: 6
Temperature: 0.900000
Total energy: -760.413161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.413161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.413161 (E_RNA)
where:
Base-Base interactions energy: -462.427
where: short stacking energy: -248.612
Base-Backbone interact. energy: -1.261
local terms energy: -296.725361
where:
bonds (distance) C4'-P energy: -63.803
bonds (distance) P-C4' energy: -55.830
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -65.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -625.628010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.628010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.628010 (E_RNA)
where:
Base-Base interactions energy: -357.621
where: short stacking energy: -215.167
Base-Backbone interact. energy: -1.227
local terms energy: -266.779736
where:
bonds (distance) C4'-P energy: -59.532
bonds (distance) P-C4' energy: -65.097
flat angles C4'-P-C4' energy: -60.883
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (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: 6
Temperature: 1.000000
Total energy: -690.786268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.786268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.786268 (E_RNA)
where:
Base-Base interactions energy: -444.996
where: short stacking energy: -211.138
Base-Backbone interact. energy: -2.253
local terms energy: -243.537597
where:
bonds (distance) C4'-P energy: -53.499
bonds (distance) P-C4' energy: -60.537
flat angles C4'-P-C4' energy: -56.337
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: -34.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -608.217976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.217976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.217976 (E_RNA)
where:
Base-Base interactions energy: -357.459
where: short stacking energy: -194.771
Base-Backbone interact. energy: -0.516
local terms energy: -250.243176
where:
bonds (distance) C4'-P energy: -62.520
bonds (distance) P-C4' energy: -49.735
flat angles C4'-P-C4' energy: -55.062
flat angles P-C4'-P energy: -45.424
tors. eta vs tors. theta energy: -37.502
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: 5, replica: 3
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -550.482873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.482873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.482873 (E_RNA)
where:
Base-Base interactions energy: -308.659
where: short stacking energy: -182.898
Base-Backbone interact. energy: 0.113
local terms energy: -241.936632
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -60.392
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -34.150
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: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -431.971509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.971509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.971509 (E_RNA)
where:
Base-Base interactions energy: -217.885
where: short stacking energy: -129.695
Base-Backbone interact. energy: 2.115
local terms energy: -216.200780
where:
bonds (distance) C4'-P energy: -52.324
bonds (distance) P-C4' energy: -61.514
flat angles C4'-P-C4' energy: -50.625
flat angles P-C4'-P energy: -34.416
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -362.116625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.116625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.116625 (E_RNA)
where:
Base-Base interactions energy: -149.775
where: short stacking energy: -121.115
Base-Backbone interact. energy: -0.468
local terms energy: -211.874496
where:
bonds (distance) C4'-P energy: -65.481
bonds (distance) P-C4' energy: -61.684
flat angles C4'-P-C4' energy: -43.390
flat angles P-C4'-P energy: -31.007
tors. eta vs tors. theta energy: -10.313
Dist. restrs. and SS energy: 0.000 (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: 6
Temperature: 1.250000
Total energy: -373.746836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.746836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.746836 (E_RNA)
where:
Base-Base interactions energy: -177.797
where: short stacking energy: -103.603
Base-Backbone interact. energy: 0.193
local terms energy: -196.142413
where:
bonds (distance) C4'-P energy: -57.144
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -44.743
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -11.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -362.705482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.705482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.705482 (E_RNA)
where:
Base-Base interactions energy: -209.103
where: short stacking energy: -129.752
Base-Backbone interact. energy: -1.235
local terms energy: -152.367913
where:
bonds (distance) C4'-P energy: -29.707
bonds (distance) P-C4' energy: -52.014
flat angles C4'-P-C4' energy: -43.951
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -278.802973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.802973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.802973 (E_RNA)
where:
Base-Base interactions energy: -128.138
where: short stacking energy: -63.105
Base-Backbone interact. energy: 2.780
local terms energy: -153.445545
where:
bonds (distance) C4'-P energy: -46.953
bonds (distance) P-C4' energy: -52.120
flat angles C4'-P-C4' energy: -39.143
flat angles P-C4'-P energy: -20.707
tors. eta vs tors. theta energy: 5.477
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: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -760.240731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.240731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.240731 (E_RNA)
where:
Base-Base interactions energy: -466.002
where: short stacking energy: -244.424
Base-Backbone interact. energy: 0.650
local terms energy: -294.888696
where:
bonds (distance) C4'-P energy: -66.338
bonds (distance) P-C4' energy: -68.929
flat angles C4'-P-C4' energy: -61.795
flat angles P-C4'-P energy: -40.944
tors. eta vs tors. theta energy: -56.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -718.923346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.923346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.923346 (E_RNA)
where:
Base-Base interactions energy: -456.078
where: short stacking energy: -197.369
Base-Backbone interact. energy: -1.317
local terms energy: -261.527886
where:
bonds (distance) C4'-P energy: -63.468
bonds (distance) P-C4' energy: -58.545
flat angles C4'-P-C4' energy: -64.178
flat angles P-C4'-P energy: -32.215
tors. eta vs tors. theta energy: -43.122
Dist. restrs. and SS energy: 0.000 (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: 7
Temperature: 1.000000
Total energy: -577.347333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.347333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.347333 (E_RNA)
where:
Base-Base interactions energy: -337.515
where: short stacking energy: -188.900
Base-Backbone interact. energy: -1.717
local terms energy: -238.115318
where:
bonds (distance) C4'-P energy: -55.328
bonds (distance) P-C4' energy: -59.771
flat angles C4'-P-C4' energy: -51.573
flat angles P-C4'-P energy: -30.138
tors. eta vs tors. theta energy: -41.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -696.085354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.085354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.085354 (E_RNA)
where:
Base-Base interactions energy: -461.294
where: short stacking energy: -219.517
Base-Backbone interact. energy: -1.097
local terms energy: -233.694596
where:
bonds (distance) C4'-P energy: -53.184
bonds (distance) P-C4' energy: -45.108
flat angles C4'-P-C4' energy: -57.071
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -41.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -581.690464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.690464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.690464 (E_RNA)
where:
Base-Base interactions energy: -338.550
where: short stacking energy: -176.464
Base-Backbone interact. energy: -0.901
local terms energy: -242.239575
where:
bonds (distance) C4'-P energy: -44.435
bonds (distance) P-C4' energy: -60.923
flat angles C4'-P-C4' energy: -62.325
flat angles P-C4'-P energy: -41.110
tors. eta vs tors. theta energy: -33.447
Dist. restrs. and SS energy: 0.000 (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: 7
Temperature: 1.150000
Total energy: -469.134352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.134352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.134352 (E_RNA)
where:
Base-Base interactions energy: -250.121
where: short stacking energy: -158.618
Base-Backbone interact. energy: -1.566
local terms energy: -217.447393
where:
bonds (distance) C4'-P energy: -52.602
bonds (distance) P-C4' energy: -52.943
flat angles C4'-P-C4' energy: -52.758
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (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: 7
Temperature: 1.200000
Total energy: -327.494394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.494394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.494394 (E_RNA)
where:
Base-Base interactions energy: -145.794
where: short stacking energy: -125.396
Base-Backbone interact. energy: 1.312
local terms energy: -183.012725
where:
bonds (distance) C4'-P energy: -48.862
bonds (distance) P-C4' energy: -44.467
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -25.573
tors. eta vs tors. theta energy: -10.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -412.810250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.810250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.810250 (E_RNA)
where:
Base-Base interactions energy: -200.709
where: short stacking energy: -127.511
Base-Backbone interact. energy: -0.822
local terms energy: -211.279518
where:
bonds (distance) C4'-P energy: -47.527
bonds (distance) P-C4' energy: -56.210
flat angles C4'-P-C4' energy: -46.580
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: -24.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -349.769441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.769441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.769441 (E_RNA)
where:
Base-Base interactions energy: -189.603
where: short stacking energy: -91.247
Base-Backbone interact. energy: 0.947
local terms energy: -161.113742
where:
bonds (distance) C4'-P energy: -28.863
bonds (distance) P-C4' energy: -59.764
flat angles C4'-P-C4' energy: -42.540
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (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: 7
Temperature: 1.350000
Total energy: -336.883357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.883357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.883357 (E_RNA)
where:
Base-Base interactions energy: -167.457
where: short stacking energy: -97.392
Base-Backbone interact. energy: 3.593
local terms energy: -173.019803
where:
bonds (distance) C4'-P energy: -50.222
bonds (distance) P-C4' energy: -57.255
flat angles C4'-P-C4' energy: -40.394
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (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: 8
Temperature: 0.900000
Total energy: -797.515005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.515005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.515005 (E_RNA)
where:
Base-Base interactions energy: -521.506
where: short stacking energy: -227.105
Base-Backbone interact. energy: -2.716
local terms energy: -273.292405
where:
bonds (distance) C4'-P energy: -63.977
bonds (distance) P-C4' energy: -59.982
flat angles C4'-P-C4' energy: -62.013
flat angles P-C4'-P energy: -38.301
tors. eta vs tors. theta energy: -49.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -766.169717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.169717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.169717 (E_RNA)
where:
Base-Base interactions energy: -502.559
where: short stacking energy: -214.672
Base-Backbone interact. energy: 0.366
local terms energy: -263.976011
where:
bonds (distance) C4'-P energy: -56.154
bonds (distance) P-C4' energy: -49.555
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -44.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -762.717646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.717646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.717646 (E_RNA)
where:
Base-Base interactions energy: -499.207
where: short stacking energy: -217.203
Base-Backbone interact. energy: -1.173
local terms energy: -262.337002
where:
bonds (distance) C4'-P energy: -51.086
bonds (distance) P-C4' energy: -59.146
flat angles C4'-P-C4' energy: -57.013
flat angles P-C4'-P energy: -45.362
tors. eta vs tors. theta energy: -49.730
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: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -613.361737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.361737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.361737 (E_RNA)
where:
Base-Base interactions energy: -367.042
where: short stacking energy: -191.167
Base-Backbone interact. energy: -0.866
local terms energy: -245.453586
where:
bonds (distance) C4'-P energy: -54.595
bonds (distance) P-C4' energy: -64.193
flat angles C4'-P-C4' energy: -51.030
flat angles P-C4'-P energy: -37.694
tors. eta vs tors. theta energy: -37.940
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: 5, replica: 3
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -566.675743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.675743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.675743 (E_RNA)
where:
Base-Base interactions energy: -313.868
where: short stacking energy: -196.703
Base-Backbone interact. energy: -0.275
local terms energy: -252.532530
where:
bonds (distance) C4'-P energy: -57.632
bonds (distance) P-C4' energy: -54.311
flat angles C4'-P-C4' energy: -61.930
flat angles P-C4'-P energy: -36.652
tors. eta vs tors. theta energy: -42.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -435.136891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.136891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.136891 (E_RNA)
where:
Base-Base interactions energy: -196.750
where: short stacking energy: -146.312
Base-Backbone interact. energy: 0.809
local terms energy: -239.195574
where:
bonds (distance) C4'-P energy: -56.714
bonds (distance) P-C4' energy: -60.299
flat angles C4'-P-C4' energy: -57.537
flat angles P-C4'-P energy: -40.816
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -455.118796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.118796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.118796 (E_RNA)
where:
Base-Base interactions energy: -248.778
where: short stacking energy: -151.562
Base-Backbone interact. energy: 2.258
local terms energy: -208.598754
where:
bonds (distance) C4'-P energy: -52.935
bonds (distance) P-C4' energy: -52.386
flat angles C4'-P-C4' energy: -50.430
flat angles P-C4'-P energy: -30.490
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (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: 8
Temperature: 1.250000
Total energy: -331.752993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.752993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.752993 (E_RNA)
where:
Base-Base interactions energy: -153.511
where: short stacking energy: -94.008
Base-Backbone interact. energy: 2.133
local terms energy: -180.375012
where:
bonds (distance) C4'-P energy: -56.655
bonds (distance) P-C4' energy: -62.739
flat angles C4'-P-C4' energy: -38.023
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -2.795
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: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -397.236095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.236095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.236095 (E_RNA)
where:
Base-Base interactions energy: -206.175
where: short stacking energy: -106.035
Base-Backbone interact. energy: 0.140
local terms energy: -191.200433
where:
bonds (distance) C4'-P energy: -51.135
bonds (distance) P-C4' energy: -45.485
flat angles C4'-P-C4' energy: -49.752
flat angles P-C4'-P energy: -37.363
tors. eta vs tors. theta energy: -7.465
Dist. restrs. and SS energy: 0.000 (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: 8
Temperature: 1.350000
Total energy: -310.048484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.048484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.048484 (E_RNA)
where:
Base-Base interactions energy: -142.229
where: short stacking energy: -83.014
Base-Backbone interact. energy: 2.384
local terms energy: -170.203632
where:
bonds (distance) C4'-P energy: -47.940
bonds (distance) P-C4' energy: -49.425
flat angles C4'-P-C4' energy: -41.897
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: -1.040
Dist. restrs. and SS energy: 0.000 (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: 9
Temperature: 0.900000
Total energy: -802.944045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.944045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.944045 (E_RNA)
where:
Base-Base interactions energy: -536.252
where: short stacking energy: -251.865
Base-Backbone interact. energy: -2.032
local terms energy: -264.660702
where:
bonds (distance) C4'-P energy: -49.332
bonds (distance) P-C4' energy: -65.907
flat angles C4'-P-C4' energy: -64.774
flat angles P-C4'-P energy: -30.663
tors. eta vs tors. theta energy: -53.985
Dist. restrs. and SS energy: 0.000 (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: 9
Temperature: 0.950000
Total energy: -828.523254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.523254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.523254 (E_RNA)
where:
Base-Base interactions energy: -535.978
where: short stacking energy: -247.727
Base-Backbone interact. energy: -0.536
local terms energy: -292.009977
where:
bonds (distance) C4'-P energy: -49.874
bonds (distance) P-C4' energy: -67.089
flat angles C4'-P-C4' energy: -68.550
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -63.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -734.811274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.811274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.811274 (E_RNA)
where:
Base-Base interactions energy: -493.667
where: short stacking energy: -198.950
Base-Backbone interact. energy: -2.921
local terms energy: -238.223502
where:
bonds (distance) C4'-P energy: -48.035
bonds (distance) P-C4' energy: -51.696
flat angles C4'-P-C4' energy: -57.013
flat angles P-C4'-P energy: -33.256
tors. eta vs tors. theta energy: -48.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -593.180866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.180866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.180866 (E_RNA)
where:
Base-Base interactions energy: -334.690
where: short stacking energy: -205.962
Base-Backbone interact. energy: -0.990
local terms energy: -257.500764
where:
bonds (distance) C4'-P energy: -54.750
bonds (distance) P-C4' energy: -55.518
flat angles C4'-P-C4' energy: -60.043
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -42.832
Dist. restrs. and SS energy: 0.000 (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: 9
Temperature: 1.100000
Total energy: -559.323888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.323888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.323888 (E_RNA)
where:
Base-Base interactions energy: -310.878
where: short stacking energy: -176.071
Base-Backbone interact. energy: -1.462
local terms energy: -246.984224
where:
bonds (distance) C4'-P energy: -53.469
bonds (distance) P-C4' energy: -59.883
flat angles C4'-P-C4' energy: -62.696
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -33.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -598.483393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.483393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.483393 (E_RNA)
where:
Base-Base interactions energy: -378.887
where: short stacking energy: -190.888
Base-Backbone interact. energy: 0.637
local terms energy: -220.233378
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -52.411
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -31.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -465.095076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.095076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.095076 (E_RNA)
where:
Base-Base interactions energy: -253.265
where: short stacking energy: -153.969
Base-Backbone interact. energy: -1.179
local terms energy: -210.651546
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -58.812
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -28.280
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: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -462.168945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.168945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.168945 (E_RNA)
where:
Base-Base interactions energy: -259.337
where: short stacking energy: -127.436
Base-Backbone interact. energy: -0.923
local terms energy: -201.909590
where:
bonds (distance) C4'-P energy: -48.836
bonds (distance) P-C4' energy: -55.990
flat angles C4'-P-C4' energy: -55.941
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -280.468819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.468819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.468819 (E_RNA)
where:
Base-Base interactions energy: -105.659
where: short stacking energy: -90.782
Base-Backbone interact. energy: -0.780
local terms energy: -174.030201
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -43.795
flat angles C4'-P-C4' energy: -45.312
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -6.747
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: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -256.520112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.520112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.520112 (E_RNA)
where:
Base-Base interactions energy: -83.660
where: short stacking energy: -62.118
Base-Backbone interact. energy: 1.104
local terms energy: -173.964479
where:
bonds (distance) C4'-P energy: -47.182
bonds (distance) P-C4' energy: -48.523
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -30.484
tors. eta vs tors. theta energy: 7.003
Dist. restrs. and SS energy: 0.000 (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: 10
Temperature: 0.900000
Total energy: -871.835297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.835297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.835297 (E_RNA)
where:
Base-Base interactions energy: -584.522
where: short stacking energy: -277.470
Base-Backbone interact. energy: -0.565
local terms energy: -286.748521
where:
bonds (distance) C4'-P energy: -59.948
bonds (distance) P-C4' energy: -60.832
flat angles C4'-P-C4' energy: -64.555
flat angles P-C4'-P energy: -37.435
tors. eta vs tors. theta energy: -63.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -758.460497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.460497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.460497 (E_RNA)
where:
Base-Base interactions energy: -490.302
where: short stacking energy: -241.432
Base-Backbone interact. energy: 1.287
local terms energy: -269.445695
where:
bonds (distance) C4'-P energy: -59.187
bonds (distance) P-C4' energy: -62.535
flat angles C4'-P-C4' energy: -62.645
flat angles P-C4'-P energy: -36.057
tors. eta vs tors. theta energy: -49.021
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: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -725.203335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.203335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.203335 (E_RNA)
where:
Base-Base interactions energy: -466.759
where: short stacking energy: -247.319
Base-Backbone interact. energy: 0.654
local terms energy: -259.098782
where:
bonds (distance) C4'-P energy: -56.032
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -37.916
tors. eta vs tors. theta energy: -53.804
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: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -619.129771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.129771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.129771 (E_RNA)
where:
Base-Base interactions energy: -394.942
where: short stacking energy: -201.805
Base-Backbone interact. energy: -0.830
local terms energy: -223.357835
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -49.349
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -38.349
Dist. restrs. and SS energy: 0.000 (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: 10
Temperature: 1.100000
Total energy: -660.968450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.968450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.968450 (E_RNA)
where:
Base-Base interactions energy: -416.625
where: short stacking energy: -201.932
Base-Backbone interact. energy: -1.336
local terms energy: -243.008240
where:
bonds (distance) C4'-P energy: -51.713
bonds (distance) P-C4' energy: -60.210
flat angles C4'-P-C4' energy: -58.016
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -36.781
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: 1
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -596.675921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.675921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.675921 (E_RNA)
where:
Base-Base interactions energy: -347.457
where: short stacking energy: -185.682
Base-Backbone interact. energy: 0.722
local terms energy: -249.940309
where:
bonds (distance) C4'-P energy: -62.457
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -53.063
flat angles P-C4'-P energy: -42.163
tors. eta vs tors. theta energy: -39.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -486.003414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.003414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.003414 (E_RNA)
where:
Base-Base interactions energy: -277.601
where: short stacking energy: -149.146
Base-Backbone interact. energy: 2.561
local terms energy: -210.962834
where:
bonds (distance) C4'-P energy: -44.994
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -42.643
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -29.762
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: 8, replica: 8
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -437.678336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.678336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.678336 (E_RNA)
where:
Base-Base interactions energy: -249.493
where: short stacking energy: -128.140
Base-Backbone interact. energy: 0.427
local terms energy: -188.613273
where:
bonds (distance) C4'-P energy: -48.642
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -57.945
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -6.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -327.213481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.213481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.213481 (E_RNA)
where:
Base-Base interactions energy: -130.587
where: short stacking energy: -101.459
Base-Backbone interact. energy: -1.054
local terms energy: -195.571633
where:
bonds (distance) C4'-P energy: -51.365
bonds (distance) P-C4' energy: -60.607
flat angles C4'-P-C4' energy: -44.638
flat angles P-C4'-P energy: -29.194
tors. eta vs tors. theta energy: -9.768
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: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -246.265060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.265060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.265060 (E_RNA)
where:
Base-Base interactions energy: -86.886
where: short stacking energy: -79.904
Base-Backbone interact. energy: 1.077
local terms energy: -160.456629
where:
bonds (distance) C4'-P energy: -55.282
bonds (distance) P-C4' energy: -54.612
flat angles C4'-P-C4' energy: -32.668
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: 7.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -852.949795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.949795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.949795 (E_RNA)
where:
Base-Base interactions energy: -566.198
where: short stacking energy: -259.583
Base-Backbone interact. energy: -0.401
local terms energy: -286.350822
where:
bonds (distance) C4'-P energy: -53.154
bonds (distance) P-C4' energy: -58.828
flat angles C4'-P-C4' energy: -66.784
flat angles P-C4'-P energy: -45.974
tors. eta vs tors. theta energy: -61.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -795.940515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.940515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.940515 (E_RNA)
where:
Base-Base interactions energy: -534.358
where: short stacking energy: -238.807
Base-Backbone interact. energy: -0.946
local terms energy: -260.637209
where:
bonds (distance) C4'-P energy: -52.444
bonds (distance) P-C4' energy: -60.043
flat angles C4'-P-C4' energy: -56.193
flat angles P-C4'-P energy: -33.206
tors. eta vs tors. theta energy: -58.751
Dist. restrs. and SS energy: 0.000 (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: 11
Temperature: 1.000000
Total energy: -671.934223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.934223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.934223 (E_RNA)
where:
Base-Base interactions energy: -415.452
where: short stacking energy: -188.835
Base-Backbone interact. energy: -2.177
local terms energy: -254.305973
where:
bonds (distance) C4'-P energy: -59.530
bonds (distance) P-C4' energy: -59.180
flat angles C4'-P-C4' energy: -57.389
flat angles P-C4'-P energy: -30.471
tors. eta vs tors. theta energy: -47.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -688.737679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.737679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.737679 (E_RNA)
where:
Base-Base interactions energy: -447.061
where: short stacking energy: -219.016
Base-Backbone interact. energy: -1.316
local terms energy: -240.361070
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -54.775
flat angles P-C4'-P energy: -29.630
tors. eta vs tors. theta energy: -54.393
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: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -611.134902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.134902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.134902 (E_RNA)
where:
Base-Base interactions energy: -367.337
where: short stacking energy: -206.321
Base-Backbone interact. energy: 0.942
local terms energy: -244.740521
where:
bonds (distance) C4'-P energy: -50.799
bonds (distance) P-C4' energy: -62.356
flat angles C4'-P-C4' energy: -45.634
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -50.315
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: 6, replica: 1
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -640.574680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.574680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.574680 (E_RNA)
where:
Base-Base interactions energy: -386.566
where: short stacking energy: -203.450
Base-Backbone interact. energy: -1.375
local terms energy: -252.632832
where:
bonds (distance) C4'-P energy: -42.438
bonds (distance) P-C4' energy: -62.944
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -32.342
tors. eta vs tors. theta energy: -53.811
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: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -576.444430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.444430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.444430 (E_RNA)
where:
Base-Base interactions energy: -330.564
where: short stacking energy: -155.337
Base-Backbone interact. energy: -1.686
local terms energy: -244.194243
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -44.290
tors. eta vs tors. theta energy: -35.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -466.561410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.561410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.561410 (E_RNA)
where:
Base-Base interactions energy: -291.693
where: short stacking energy: -137.004
Base-Backbone interact. energy: 0.430
local terms energy: -175.298422
where:
bonds (distance) C4'-P energy: -46.945
bonds (distance) P-C4' energy: -40.118
flat angles C4'-P-C4' energy: -49.287
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -9.147
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: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -272.571633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.571633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.571633 (E_RNA)
where:
Base-Base interactions energy: -118.862
where: short stacking energy: -70.909
Base-Backbone interact. energy: 3.123
local terms energy: -156.833211
where:
bonds (distance) C4'-P energy: -56.497
bonds (distance) P-C4' energy: -52.335
flat angles C4'-P-C4' energy: -33.865
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: 1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -280.597959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.597959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.597959 (E_RNA)
where:
Base-Base interactions energy: -95.083
where: short stacking energy: -80.177
Base-Backbone interact. energy: 2.062
local terms energy: -187.577500
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -57.124
flat angles C4'-P-C4' energy: -52.488
flat angles P-C4'-P energy: -27.475
tors. eta vs tors. theta energy: 9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -871.809629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.809629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.809629 (E_RNA)
where:
Base-Base interactions energy: -564.119
where: short stacking energy: -254.279
Base-Backbone interact. energy: -2.262
local terms energy: -305.428599
where:
bonds (distance) C4'-P energy: -62.147
bonds (distance) P-C4' energy: -67.461
flat angles C4'-P-C4' energy: -66.955
flat angles P-C4'-P energy: -43.850
tors. eta vs tors. theta energy: -65.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -807.489130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.489130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.489130 (E_RNA)
where:
Base-Base interactions energy: -521.529
where: short stacking energy: -228.279
Base-Backbone interact. energy: -0.510
local terms energy: -285.450097
where:
bonds (distance) C4'-P energy: -62.941
bonds (distance) P-C4' energy: -57.767
flat angles C4'-P-C4' energy: -66.189
flat angles P-C4'-P energy: -43.701
tors. eta vs tors. theta energy: -54.851
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: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -746.133224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.133224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.133224 (E_RNA)
where:
Base-Base interactions energy: -476.316
where: short stacking energy: -227.692
Base-Backbone interact. energy: -1.602
local terms energy: -268.215313
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -55.759
flat angles C4'-P-C4' energy: -62.822
flat angles P-C4'-P energy: -34.466
tors. eta vs tors. theta energy: -52.914
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: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -671.570882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.570882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.570882 (E_RNA)
where:
Base-Base interactions energy: -418.618
where: short stacking energy: -212.092
Base-Backbone interact. energy: 1.559
local terms energy: -254.511604
where:
bonds (distance) C4'-P energy: -53.606
bonds (distance) P-C4' energy: -48.992
flat angles C4'-P-C4' energy: -62.877
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: -51.733
Dist. restrs. and SS energy: 0.000 (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: 12
Temperature: 1.100000
Total energy: -641.677016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.677016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.677016 (E_RNA)
where:
Base-Base interactions energy: -399.360
where: short stacking energy: -220.942
Base-Backbone interact. energy: -1.180
local terms energy: -241.137579
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -53.760
flat angles C4'-P-C4' energy: -58.648
flat angles P-C4'-P energy: -25.364
tors. eta vs tors. theta energy: -57.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -608.253286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.253286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.253286 (E_RNA)
where:
Base-Base interactions energy: -357.808
where: short stacking energy: -180.859
Base-Backbone interact. energy: -1.096
local terms energy: -249.349111
where:
bonds (distance) C4'-P energy: -55.216
bonds (distance) P-C4' energy: -58.964
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -30.287
tors. eta vs tors. theta energy: -47.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -606.009704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.009704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.009704 (E_RNA)
where:
Base-Base interactions energy: -390.436
where: short stacking energy: -191.216
Base-Backbone interact. energy: -0.981
local terms energy: -214.592807
where:
bonds (distance) C4'-P energy: -48.398
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -52.903
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -33.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -431.049984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.049984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.049984 (E_RNA)
where:
Base-Base interactions energy: -233.095
where: short stacking energy: -130.198
Base-Backbone interact. energy: 4.225
local terms energy: -202.180785
where:
bonds (distance) C4'-P energy: -48.986
bonds (distance) P-C4' energy: -63.168
flat angles C4'-P-C4' energy: -38.444
flat angles P-C4'-P energy: -43.918
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -283.090055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.090055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.090055 (E_RNA)
where:
Base-Base interactions energy: -105.043
where: short stacking energy: -87.100
Base-Backbone interact. energy: -0.065
local terms energy: -177.982030
where:
bonds (distance) C4'-P energy: -53.856
bonds (distance) P-C4' energy: -39.072
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -4.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -349.644848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.644848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.644848 (E_RNA)
where:
Base-Base interactions energy: -165.698
where: short stacking energy: -94.451
Base-Backbone interact. energy: -0.794
local terms energy: -183.152554
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -56.550
flat angles C4'-P-C4' energy: -49.522
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -898.261245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.261245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.261245 (E_RNA)
where:
Base-Base interactions energy: -604.653
where: short stacking energy: -262.210
Base-Backbone interact. energy: -0.779
local terms energy: -292.829179
where:
bonds (distance) C4'-P energy: -57.007
bonds (distance) P-C4' energy: -59.288
flat angles C4'-P-C4' energy: -66.436
flat angles P-C4'-P energy: -44.588
tors. eta vs tors. theta energy: -65.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -820.432124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.432124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.432124 (E_RNA)
where:
Base-Base interactions energy: -527.142
where: short stacking energy: -251.446
Base-Backbone interact. energy: -1.848
local terms energy: -291.442250
where:
bonds (distance) C4'-P energy: -59.181
bonds (distance) P-C4' energy: -64.240
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -38.767
tors. eta vs tors. theta energy: -68.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -820.893155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.893155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.893155 (E_RNA)
where:
Base-Base interactions energy: -558.456
where: short stacking energy: -254.482
Base-Backbone interact. energy: -0.823
local terms energy: -261.613976
where:
bonds (distance) C4'-P energy: -48.123
bonds (distance) P-C4' energy: -56.393
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -33.109
tors. eta vs tors. theta energy: -57.965
Dist. restrs. and SS energy: 0.000 (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: 13
Temperature: 1.050000
Total energy: -739.856877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.856877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.856877 (E_RNA)
where:
Base-Base interactions energy: -469.454
where: short stacking energy: -234.903
Base-Backbone interact. energy: -1.014
local terms energy: -269.388329
where:
bonds (distance) C4'-P energy: -59.946
bonds (distance) P-C4' energy: -57.014
flat angles C4'-P-C4' energy: -56.485
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -56.808
Dist. restrs. and SS energy: 0.000 (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: 13
Temperature: 1.100000
Total energy: -599.854920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.854920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.854920 (E_RNA)
where:
Base-Base interactions energy: -355.169
where: short stacking energy: -174.992
Base-Backbone interact. energy: -0.843
local terms energy: -243.843333
where:
bonds (distance) C4'-P energy: -57.467
bonds (distance) P-C4' energy: -58.340
flat angles C4'-P-C4' energy: -47.721
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -39.749
Dist. restrs. and SS energy: 0.000 (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: 13
Temperature: 1.150000
Total energy: -644.010115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.010115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.010115 (E_RNA)
where:
Base-Base interactions energy: -397.932
where: short stacking energy: -194.669
Base-Backbone interact. energy: -0.856
local terms energy: -245.221363
where:
bonds (distance) C4'-P energy: -45.814
bonds (distance) P-C4' energy: -62.785
flat angles C4'-P-C4' energy: -66.571
flat angles P-C4'-P energy: -21.644
tors. eta vs tors. theta energy: -48.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -632.441126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.441126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.441126 (E_RNA)
where:
Base-Base interactions energy: -388.172
where: short stacking energy: -190.491
Base-Backbone interact. energy: -0.677
local terms energy: -243.592587
where:
bonds (distance) C4'-P energy: -48.743
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -55.386
flat angles P-C4'-P energy: -34.932
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -436.198813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.198813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.198813 (E_RNA)
where:
Base-Base interactions energy: -241.903
where: short stacking energy: -131.435
Base-Backbone interact. energy: 0.782
local terms energy: -195.078557
where:
bonds (distance) C4'-P energy: -34.707
bonds (distance) P-C4' energy: -62.202
flat angles C4'-P-C4' energy: -52.112
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (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: -285.105477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.105477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.105477 (E_RNA)
where:
Base-Base interactions energy: -100.181
where: short stacking energy: -80.193
Base-Backbone interact. energy: -0.016
local terms energy: -184.908642
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -48.583
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -358.464020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.464020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.464020 (E_RNA)
where:
Base-Base interactions energy: -165.665
where: short stacking energy: -98.554
Base-Backbone interact. energy: -0.577
local terms energy: -192.221825
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -44.033
flat angles C4'-P-C4' energy: -45.436
flat angles P-C4'-P energy: -36.426
tors. eta vs tors. theta energy: -10.496
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: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -867.954240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.954240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.954240 (E_RNA)
where:
Base-Base interactions energy: -579.129
where: short stacking energy: -252.958
Base-Backbone interact. energy: -0.066
local terms energy: -288.759794
where:
bonds (distance) C4'-P energy: -62.562
bonds (distance) P-C4' energy: -57.424
flat angles C4'-P-C4' energy: -62.336
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: -57.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -827.122701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.122701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.122701 (E_RNA)
where:
Base-Base interactions energy: -543.898
where: short stacking energy: -257.311
Base-Backbone interact. energy: 0.305
local terms energy: -283.528710
where:
bonds (distance) C4'-P energy: -54.611
bonds (distance) P-C4' energy: -61.065
flat angles C4'-P-C4' energy: -66.119
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -57.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -821.596555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.596555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.596555 (E_RNA)
where:
Base-Base interactions energy: -550.156
where: short stacking energy: -231.560
Base-Backbone interact. energy: -1.663
local terms energy: -269.777603
where:
bonds (distance) C4'-P energy: -55.942
bonds (distance) P-C4' energy: -63.685
flat angles C4'-P-C4' energy: -48.857
flat angles P-C4'-P energy: -48.343
tors. eta vs tors. theta energy: -52.951
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: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -730.568171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.568171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.568171 (E_RNA)
where:
Base-Base interactions energy: -467.819
where: short stacking energy: -217.396
Base-Backbone interact. energy: -2.772
local terms energy: -259.978043
where:
bonds (distance) C4'-P energy: -46.753
bonds (distance) P-C4' energy: -53.384
flat angles C4'-P-C4' energy: -67.272
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -51.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -617.979894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.979894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.979894 (E_RNA)
where:
Base-Base interactions energy: -398.531
where: short stacking energy: -198.632
Base-Backbone interact. energy: -1.872
local terms energy: -217.576664
where:
bonds (distance) C4'-P energy: -49.976
bonds (distance) P-C4' energy: -41.938
flat angles C4'-P-C4' energy: -56.421
flat angles P-C4'-P energy: -32.439
tors. eta vs tors. theta energy: -36.801
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: 6, replica: 9
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -703.375184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.375184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.375184 (E_RNA)
where:
Base-Base interactions energy: -431.478
where: short stacking energy: -208.781
Base-Backbone interact. energy: 0.050
local terms energy: -271.947985
where:
bonds (distance) C4'-P energy: -69.727
bonds (distance) P-C4' energy: -51.925
flat angles C4'-P-C4' energy: -61.824
flat angles P-C4'-P energy: -41.814
tors. eta vs tors. theta energy: -46.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -608.162743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.162743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.162743 (E_RNA)
where:
Base-Base interactions energy: -369.824
where: short stacking energy: -196.091
Base-Backbone interact. energy: 0.039
local terms energy: -238.377295
where:
bonds (distance) C4'-P energy: -55.699
bonds (distance) P-C4' energy: -54.823
flat angles C4'-P-C4' energy: -49.930
flat angles P-C4'-P energy: -38.090
tors. eta vs tors. theta energy: -39.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -462.310928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.310928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.310928 (E_RNA)
where:
Base-Base interactions energy: -283.027
where: short stacking energy: -138.591
Base-Backbone interact. energy: 0.306
local terms energy: -179.590449
where:
bonds (distance) C4'-P energy: -39.673
bonds (distance) P-C4' energy: -56.476
flat angles C4'-P-C4' energy: -41.102
flat angles P-C4'-P energy: -28.387
tors. eta vs tors. theta energy: -13.952
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: 9, replica: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -382.143515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.143515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.143515 (E_RNA)
where:
Base-Base interactions energy: -192.902
where: short stacking energy: -102.549
Base-Backbone interact. energy: 0.260
local terms energy: -189.501680
where:
bonds (distance) C4'-P energy: -46.516
bonds (distance) P-C4' energy: -59.768
flat angles C4'-P-C4' energy: -39.429
flat angles P-C4'-P energy: -30.645
tors. eta vs tors. theta energy: -13.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -272.190516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.190516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.190516 (E_RNA)
where:
Base-Base interactions energy: -104.888
where: short stacking energy: -102.070
Base-Backbone interact. energy: -1.605
local terms energy: -165.698421
where:
bonds (distance) C4'-P energy: -46.793
bonds (distance) P-C4' energy: -47.384
flat angles C4'-P-C4' energy: -48.529
flat angles P-C4'-P energy: -25.079
tors. eta vs tors. theta energy: 2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -877.243372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.243372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.243372 (E_RNA)
where:
Base-Base interactions energy: -591.734
where: short stacking energy: -283.531
Base-Backbone interact. energy: 0.624
local terms energy: -286.132644
where:
bonds (distance) C4'-P energy: -58.662
bonds (distance) P-C4' energy: -60.135
flat angles C4'-P-C4' energy: -62.639
flat angles P-C4'-P energy: -38.454
tors. eta vs tors. theta energy: -66.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -845.144668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.144668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.144668 (E_RNA)
where:
Base-Base interactions energy: -571.453
where: short stacking energy: -269.482
Base-Backbone interact. energy: 0.769
local terms energy: -274.460374
where:
bonds (distance) C4'-P energy: -57.214
bonds (distance) P-C4' energy: -48.390
flat angles C4'-P-C4' energy: -69.002
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -64.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -771.112268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.112268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.112268 (E_RNA)
where:
Base-Base interactions energy: -499.614
where: short stacking energy: -247.807
Base-Backbone interact. energy: -0.313
local terms energy: -271.185037
where:
bonds (distance) C4'-P energy: -64.686
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -60.641
flat angles P-C4'-P energy: -32.862
tors. eta vs tors. theta energy: -60.797
Dist. restrs. and SS energy: 0.000 (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: 15
Temperature: 1.050000
Total energy: -762.391319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.391319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.391319 (E_RNA)
where:
Base-Base interactions energy: -504.905
where: short stacking energy: -228.154
Base-Backbone interact. energy: 4.620
local terms energy: -262.106158
where:
bonds (distance) C4'-P energy: -55.191
bonds (distance) P-C4' energy: -54.143
flat angles C4'-P-C4' energy: -56.293
flat angles P-C4'-P energy: -34.247
tors. eta vs tors. theta energy: -62.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -595.846227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.846227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.846227 (E_RNA)
where:
Base-Base interactions energy: -361.214
where: short stacking energy: -189.659
Base-Backbone interact. energy: -2.062
local terms energy: -232.570693
where:
bonds (distance) C4'-P energy: -54.174
bonds (distance) P-C4' energy: -53.425
flat angles C4'-P-C4' energy: -54.444
flat angles P-C4'-P energy: -32.342
tors. eta vs tors. theta energy: -38.187
Dist. restrs. and SS energy: 0.000 (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: 15
Temperature: 1.150000
Total energy: -727.072924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.072924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.072924 (E_RNA)
where:
Base-Base interactions energy: -482.047
where: short stacking energy: -228.186
Base-Backbone interact. energy: -1.427
local terms energy: -243.599157
where:
bonds (distance) C4'-P energy: -47.861
bonds (distance) P-C4' energy: -59.792
flat angles C4'-P-C4' energy: -54.098
flat angles P-C4'-P energy: -24.889
tors. eta vs tors. theta energy: -56.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -654.491643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.491643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.491643 (E_RNA)
where:
Base-Base interactions energy: -422.141
where: short stacking energy: -215.050
Base-Backbone interact. energy: -0.157
local terms energy: -232.194195
where:
bonds (distance) C4'-P energy: -46.651
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -55.794
flat angles P-C4'-P energy: -40.842
tors. eta vs tors. theta energy: -40.388
Dist. restrs. and SS energy: 0.000 (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: 15
Temperature: 1.250000
Total energy: -475.109265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.109265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.109265 (E_RNA)
where:
Base-Base interactions energy: -281.763
where: short stacking energy: -147.697
Base-Backbone interact. energy: 0.175
local terms energy: -193.521315
where:
bonds (distance) C4'-P energy: -46.639
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -47.129
flat angles P-C4'-P energy: -30.761
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: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -373.431410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.431410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.431410 (E_RNA)
where:
Base-Base interactions energy: -191.191
where: short stacking energy: -115.113
Base-Backbone interact. energy: 0.069
local terms energy: -182.309275
where:
bonds (distance) C4'-P energy: -48.132
bonds (distance) P-C4' energy: -51.580
flat angles C4'-P-C4' energy: -52.208
flat angles P-C4'-P energy: -26.650
tors. eta vs tors. theta energy: -3.739
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: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -252.637828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.637828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.637828 (E_RNA)
where:
Base-Base interactions energy: -82.453
where: short stacking energy: -69.279
Base-Backbone interact. energy: 5.381
local terms energy: -175.566333
where:
bonds (distance) C4'-P energy: -55.136
bonds (distance) P-C4' energy: -57.886
flat angles C4'-P-C4' energy: -35.596
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: 4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -889.374316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.374316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.374316 (E_RNA)
where:
Base-Base interactions energy: -589.399
where: short stacking energy: -253.353
Base-Backbone interact. energy: -0.299
local terms energy: -299.676721
where:
bonds (distance) C4'-P energy: -49.654
bonds (distance) P-C4' energy: -67.213
flat angles C4'-P-C4' energy: -66.650
flat angles P-C4'-P energy: -51.791
tors. eta vs tors. theta energy: -64.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -860.297439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.297439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.297439 (E_RNA)
where:
Base-Base interactions energy: -569.374
where: short stacking energy: -266.868
Base-Backbone interact. energy: 1.565
local terms energy: -292.488601
where:
bonds (distance) C4'-P energy: -60.563
bonds (distance) P-C4' energy: -60.069
flat angles C4'-P-C4' energy: -65.795
flat angles P-C4'-P energy: -39.018
tors. eta vs tors. theta energy: -67.044
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: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -837.305243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.305243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.305243 (E_RNA)
where:
Base-Base interactions energy: -562.610
where: short stacking energy: -262.764
Base-Backbone interact. energy: 2.077
local terms energy: -276.772322
where:
bonds (distance) C4'-P energy: -55.162
bonds (distance) P-C4' energy: -64.283
flat angles C4'-P-C4' energy: -49.959
flat angles P-C4'-P energy: -34.292
tors. eta vs tors. theta energy: -73.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -756.578501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.578501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.578501 (E_RNA)
where:
Base-Base interactions energy: -498.672
where: short stacking energy: -219.481
Base-Backbone interact. energy: -1.999
local terms energy: -255.907250
where:
bonds (distance) C4'-P energy: -56.320
bonds (distance) P-C4' energy: -63.242
flat angles C4'-P-C4' energy: -52.379
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -46.264
Dist. restrs. and SS energy: 0.000 (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: 16
Temperature: 1.100000
Total energy: -779.070113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.070113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.070113 (E_RNA)
where:
Base-Base interactions energy: -494.395
where: short stacking energy: -230.863
Base-Backbone interact. energy: -1.561
local terms energy: -283.113771
where:
bonds (distance) C4'-P energy: -58.907
bonds (distance) P-C4' energy: -65.847
flat angles C4'-P-C4' energy: -63.808
flat angles P-C4'-P energy: -36.050
tors. eta vs tors. theta energy: -58.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -524.440253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.440253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.440253 (E_RNA)
where:
Base-Base interactions energy: -303.081
where: short stacking energy: -152.311
Base-Backbone interact. energy: -0.527
local terms energy: -220.831969
where:
bonds (distance) C4'-P energy: -52.324
bonds (distance) P-C4' energy: -66.180
flat angles C4'-P-C4' energy: -51.434
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -25.886
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: 7, replica: 1
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -593.667853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.667853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.667853 (E_RNA)
where:
Base-Base interactions energy: -372.092
where: short stacking energy: -186.413
Base-Backbone interact. energy: 0.148
local terms energy: -221.724169
where:
bonds (distance) C4'-P energy: -54.192
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -54.598
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -37.767
Dist. restrs. and SS energy: 0.000 (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: 16
Temperature: 1.250000
Total energy: -465.364167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.364167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.364167 (E_RNA)
where:
Base-Base interactions energy: -277.151
where: short stacking energy: -134.515
Base-Backbone interact. energy: 1.100
local terms energy: -189.312859
where:
bonds (distance) C4'-P energy: -51.343
bonds (distance) P-C4' energy: -48.630
flat angles C4'-P-C4' energy: -58.147
flat angles P-C4'-P energy: -23.723
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -390.120497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.120497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.120497 (E_RNA)
where:
Base-Base interactions energy: -202.043
where: short stacking energy: -118.259
Base-Backbone interact. energy: -0.450
local terms energy: -187.627654
where:
bonds (distance) C4'-P energy: -45.842
bonds (distance) P-C4' energy: -55.802
flat angles C4'-P-C4' energy: -50.618
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -267.194211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.194211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.194211 (E_RNA)
where:
Base-Base interactions energy: -82.345
where: short stacking energy: -73.002
Base-Backbone interact. energy: -0.445
local terms energy: -184.404719
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.183
flat angles C4'-P-C4' energy: -55.716
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (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: 17
Temperature: 0.900000
Total energy: -885.067798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.067798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.067798 (E_RNA)
where:
Base-Base interactions energy: -599.274
where: short stacking energy: -269.614
Base-Backbone interact. energy: -0.070
local terms energy: -285.724297
where:
bonds (distance) C4'-P energy: -63.465
bonds (distance) P-C4' energy: -57.608
flat angles C4'-P-C4' energy: -65.959
flat angles P-C4'-P energy: -34.921
tors. eta vs tors. theta energy: -63.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -874.033949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.033949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.033949 (E_RNA)
where:
Base-Base interactions energy: -577.621
where: short stacking energy: -261.913
Base-Backbone interact. energy: -3.128
local terms energy: -293.284550
where:
bonds (distance) C4'-P energy: -57.573
bonds (distance) P-C4' energy: -58.014
flat angles C4'-P-C4' energy: -57.430
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -78.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -837.596361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.596361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.596361 (E_RNA)
where:
Base-Base interactions energy: -560.942
where: short stacking energy: -268.948
Base-Backbone interact. energy: 4.219
local terms energy: -280.872697
where:
bonds (distance) C4'-P energy: -60.581
bonds (distance) P-C4' energy: -65.380
flat angles C4'-P-C4' energy: -65.087
flat angles P-C4'-P energy: -30.452
tors. eta vs tors. theta energy: -59.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -806.692274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.692274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.692274 (E_RNA)
where:
Base-Base interactions energy: -523.487
where: short stacking energy: -238.503
Base-Backbone interact. energy: -1.248
local terms energy: -281.957374
where:
bonds (distance) C4'-P energy: -56.383
bonds (distance) P-C4' energy: -63.047
flat angles C4'-P-C4' energy: -69.252
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -62.160
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: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -701.867973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.867973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.867973 (E_RNA)
where:
Base-Base interactions energy: -460.819
where: short stacking energy: -207.441
Base-Backbone interact. energy: -0.771
local terms energy: -240.278102
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -53.662
flat angles C4'-P-C4' energy: -56.168
flat angles P-C4'-P energy: -29.662
tors. eta vs tors. theta energy: -48.520
Dist. restrs. and SS energy: 0.000 (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: 17
Temperature: 1.150000
Total energy: -630.143377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.143377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.143377 (E_RNA)
where:
Base-Base interactions energy: -395.627
where: short stacking energy: -177.518
Base-Backbone interact. energy: 4.187
local terms energy: -238.702843
where:
bonds (distance) C4'-P energy: -46.063
bonds (distance) P-C4' energy: -61.046
flat angles C4'-P-C4' energy: -60.988
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -29.980
Dist. restrs. and SS energy: 0.000 (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: 17
Temperature: 1.200000
Total energy: -514.521737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.521737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.521737 (E_RNA)
where:
Base-Base interactions energy: -304.941
where: short stacking energy: -139.563
Base-Backbone interact. energy: 0.635
local terms energy: -210.216012
where:
bonds (distance) C4'-P energy: -43.019
bonds (distance) P-C4' energy: -48.815
flat angles C4'-P-C4' energy: -59.815
flat angles P-C4'-P energy: -37.176
tors. eta vs tors. theta energy: -21.391
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: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -495.319381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.319381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.319381 (E_RNA)
where:
Base-Base interactions energy: -294.950
where: short stacking energy: -135.141
Base-Backbone interact. energy: 0.440
local terms energy: -200.810085
where:
bonds (distance) C4'-P energy: -39.933
bonds (distance) P-C4' energy: -60.171
flat angles C4'-P-C4' energy: -50.299
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -15.595
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -388.164035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.164035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.164035 (E_RNA)
where:
Base-Base interactions energy: -217.224
where: short stacking energy: -133.633
Base-Backbone interact. energy: 0.084
local terms energy: -171.023324
where:
bonds (distance) C4'-P energy: -47.064
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -42.123
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -275.633844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.633844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.633844 (E_RNA)
where:
Base-Base interactions energy: -104.675
where: short stacking energy: -86.905
Base-Backbone interact. energy: 3.989
local terms energy: -174.948030
where:
bonds (distance) C4'-P energy: -58.641
bonds (distance) P-C4' energy: -45.920
flat angles C4'-P-C4' energy: -47.909
flat angles P-C4'-P energy: -20.233
tors. eta vs tors. theta energy: -2.245
Dist. restrs. and SS energy: 0.000 (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: 18
Temperature: 0.900000
Total energy: -885.782537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.782537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.782537 (E_RNA)
where:
Base-Base interactions energy: -588.160
where: short stacking energy: -267.618
Base-Backbone interact. energy: -1.451
local terms energy: -296.172075
where:
bonds (distance) C4'-P energy: -58.695
bonds (distance) P-C4' energy: -59.772
flat angles C4'-P-C4' energy: -67.034
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -71.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -892.353891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.353891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.353891 (E_RNA)
where:
Base-Base interactions energy: -598.629
where: short stacking energy: -275.742
Base-Backbone interact. energy: -2.788
local terms energy: -290.937324
where:
bonds (distance) C4'-P energy: -58.796
bonds (distance) P-C4' energy: -48.417
flat angles C4'-P-C4' energy: -67.370
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: -78.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -832.121069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.121069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.121069 (E_RNA)
where:
Base-Base interactions energy: -559.604
where: short stacking energy: -279.135
Base-Backbone interact. energy: -1.021
local terms energy: -271.496576
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -51.533
flat angles C4'-P-C4' energy: -61.904
flat angles P-C4'-P energy: -37.910
tors. eta vs tors. theta energy: -70.464
Dist. restrs. and SS energy: 0.000 (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: 18
Temperature: 1.050000
Total energy: -825.247162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.247162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.247162 (E_RNA)
where:
Base-Base interactions energy: -546.580
where: short stacking energy: -264.342
Base-Backbone interact. energy: -3.117
local terms energy: -275.550373
where:
bonds (distance) C4'-P energy: -48.736
bonds (distance) P-C4' energy: -61.523
flat angles C4'-P-C4' energy: -62.396
flat angles P-C4'-P energy: -42.768
tors. eta vs tors. theta energy: -60.127
Dist. restrs. and SS energy: 0.000 (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: 18
Temperature: 1.100000
Total energy: -684.043823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.043823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.043823 (E_RNA)
where:
Base-Base interactions energy: -452.771
where: short stacking energy: -205.792
Base-Backbone interact. energy: 2.476
local terms energy: -233.748652
where:
bonds (distance) C4'-P energy: -53.809
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -47.485
flat angles P-C4'-P energy: -38.575
tors. eta vs tors. theta energy: -45.180
Dist. restrs. and SS energy: 0.000 (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: 18
Temperature: 1.150000
Total energy: -686.978387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.978387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.978387 (E_RNA)
where:
Base-Base interactions energy: -441.785
where: short stacking energy: -211.641
Base-Backbone interact. energy: -0.624
local terms energy: -244.570182
where:
bonds (distance) C4'-P energy: -46.579
bonds (distance) P-C4' energy: -58.117
flat angles C4'-P-C4' energy: -53.005
flat angles P-C4'-P energy: -30.818
tors. eta vs tors. theta energy: -56.051
Dist. restrs. and SS energy: 0.000 (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: 18
Temperature: 1.200000
Total energy: -514.332793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.332793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.332793 (E_RNA)
where:
Base-Base interactions energy: -311.222
where: short stacking energy: -156.051
Base-Backbone interact. energy: -1.689
local terms energy: -201.421950
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -45.107
flat angles C4'-P-C4' energy: -48.225
flat angles P-C4'-P energy: -33.611
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (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: 18
Temperature: 1.250000
Total energy: -531.865905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.865905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.865905 (E_RNA)
where:
Base-Base interactions energy: -313.728
where: short stacking energy: -169.913
Base-Backbone interact. energy: -0.256
local terms energy: -217.881987
where:
bonds (distance) C4'-P energy: -57.611
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -50.816
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: -32.867
Dist. restrs. and SS energy: 0.000 (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: 18
Temperature: 1.300000
Total energy: -293.162041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.162041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.162041 (E_RNA)
where:
Base-Base interactions energy: -111.959
where: short stacking energy: -61.936
Base-Backbone interact. energy: -0.891
local terms energy: -180.312299
where:
bonds (distance) C4'-P energy: -47.067
bonds (distance) P-C4' energy: -62.949
flat angles C4'-P-C4' energy: -47.024
flat angles P-C4'-P energy: -25.122
tors. eta vs tors. theta energy: 1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -365.297380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.297380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.297380 (E_RNA)
where:
Base-Base interactions energy: -176.496
where: short stacking energy: -91.488
Base-Backbone interact. energy: -0.360
local terms energy: -188.440920
where:
bonds (distance) C4'-P energy: -45.181
bonds (distance) P-C4' energy: -57.025
flat angles C4'-P-C4' energy: -48.889
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -897.156691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.156691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.156691 (E_RNA)
where:
Base-Base interactions energy: -595.852
where: short stacking energy: -273.172
Base-Backbone interact. energy: -2.485
local terms energy: -298.819987
where:
bonds (distance) C4'-P energy: -53.283
bonds (distance) P-C4' energy: -62.483
flat angles C4'-P-C4' energy: -68.317
flat angles P-C4'-P energy: -38.551
tors. eta vs tors. theta energy: -76.185
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: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -912.195821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.195821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.195821 (E_RNA)
where:
Base-Base interactions energy: -609.494
where: short stacking energy: -286.200
Base-Backbone interact. energy: -0.827
local terms energy: -301.875074
where:
bonds (distance) C4'-P energy: -61.539
bonds (distance) P-C4' energy: -53.698
flat angles C4'-P-C4' energy: -62.890
flat angles P-C4'-P energy: -44.644
tors. eta vs tors. theta energy: -79.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -838.846182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.846182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.846182 (E_RNA)
where:
Base-Base interactions energy: -552.121
where: short stacking energy: -263.246
Base-Backbone interact. energy: 0.558
local terms energy: -287.283279
where:
bonds (distance) C4'-P energy: -50.225
bonds (distance) P-C4' energy: -62.250
flat angles C4'-P-C4' energy: -65.086
flat angles P-C4'-P energy: -41.555
tors. eta vs tors. theta energy: -68.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -838.546706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.546706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.546706 (E_RNA)
where:
Base-Base interactions energy: -566.076
where: short stacking energy: -235.115
Base-Backbone interact. energy: -1.150
local terms energy: -271.320979
where:
bonds (distance) C4'-P energy: -58.684
bonds (distance) P-C4' energy: -53.932
flat angles C4'-P-C4' energy: -54.820
flat angles P-C4'-P energy: -40.974
tors. eta vs tors. theta energy: -62.910
Dist. restrs. and SS energy: 0.000 (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: 19
Temperature: 1.100000
Total energy: -690.856923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.856923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.856923 (E_RNA)
where:
Base-Base interactions energy: -470.869
where: short stacking energy: -201.804
Base-Backbone interact. energy: -0.533
local terms energy: -219.454299
where:
bonds (distance) C4'-P energy: -52.157
bonds (distance) P-C4' energy: -45.121
flat angles C4'-P-C4' energy: -53.570
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: -38.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -732.209144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.209144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.209144 (E_RNA)
where:
Base-Base interactions energy: -470.882
where: short stacking energy: -222.821
Base-Backbone interact. energy: -1.304
local terms energy: -260.023411
where:
bonds (distance) C4'-P energy: -55.681
bonds (distance) P-C4' energy: -53.539
flat angles C4'-P-C4' energy: -63.443
flat angles P-C4'-P energy: -32.173
tors. eta vs tors. theta energy: -55.187
Dist. restrs. and SS energy: 0.000 (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: 19
Temperature: 1.200000
Total energy: -548.293497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.293497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.293497 (E_RNA)
where:
Base-Base interactions energy: -331.133
where: short stacking energy: -154.745
Base-Backbone interact. energy: 0.150
local terms energy: -217.310859
where:
bonds (distance) C4'-P energy: -53.507
bonds (distance) P-C4' energy: -56.265
flat angles C4'-P-C4' energy: -53.067
flat angles P-C4'-P energy: -36.721
tors. eta vs tors. theta energy: -17.750
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: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -496.728678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.728678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.728678 (E_RNA)
where:
Base-Base interactions energy: -289.667
where: short stacking energy: -156.520
Base-Backbone interact. energy: -2.558
local terms energy: -204.503963
where:
bonds (distance) C4'-P energy: -41.183
bonds (distance) P-C4' energy: -49.286
flat angles C4'-P-C4' energy: -53.985
flat angles P-C4'-P energy: -39.706
tors. eta vs tors. theta energy: -20.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -304.428039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.428039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.428039 (E_RNA)
where:
Base-Base interactions energy: -145.268
where: short stacking energy: -103.176
Base-Backbone interact. energy: -0.345
local terms energy: -158.815185
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -52.033
flat angles C4'-P-C4' energy: -45.518
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: 7.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -367.869478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.869478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.869478 (E_RNA)
where:
Base-Base interactions energy: -205.350
where: short stacking energy: -112.107
Base-Backbone interact. energy: -2.784
local terms energy: -159.735097
where:
bonds (distance) C4'-P energy: -54.184
bonds (distance) P-C4' energy: -44.903
flat angles C4'-P-C4' energy: -35.952
flat angles P-C4'-P energy: -26.012
tors. eta vs tors. theta energy: 1.315
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: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -910.687224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.687224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.687224 (E_RNA)
where:
Base-Base interactions energy: -602.645
where: short stacking energy: -266.780
Base-Backbone interact. energy: -0.952
local terms energy: -307.090733
where:
bonds (distance) C4'-P energy: -62.282
bonds (distance) P-C4' energy: -65.494
flat angles C4'-P-C4' energy: -67.140
flat angles P-C4'-P energy: -39.394
tors. eta vs tors. theta energy: -72.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -906.675004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.675004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.675004 (E_RNA)
where:
Base-Base interactions energy: -595.964
where: short stacking energy: -269.479
Base-Backbone interact. energy: -2.443
local terms energy: -308.268431
where:
bonds (distance) C4'-P energy: -65.750
bonds (distance) P-C4' energy: -55.511
flat angles C4'-P-C4' energy: -67.534
flat angles P-C4'-P energy: -43.721
tors. eta vs tors. theta energy: -75.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -869.879729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.879729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.879729 (E_RNA)
where:
Base-Base interactions energy: -590.588
where: short stacking energy: -265.365
Base-Backbone interact. energy: -1.207
local terms energy: -278.085094
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -58.245
flat angles P-C4'-P energy: -37.514
tors. eta vs tors. theta energy: -65.092
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: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -810.249462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.249462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.249462 (E_RNA)
where:
Base-Base interactions energy: -528.342
where: short stacking energy: -253.092
Base-Backbone interact. energy: -0.165
local terms energy: -281.743013
where:
bonds (distance) C4'-P energy: -58.697
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -61.664
flat angles P-C4'-P energy: -31.618
tors. eta vs tors. theta energy: -70.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -744.584013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.584013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.584013 (E_RNA)
where:
Base-Base interactions energy: -453.370
where: short stacking energy: -225.094
Base-Backbone interact. energy: -0.338
local terms energy: -290.876105
where:
bonds (distance) C4'-P energy: -61.950
bonds (distance) P-C4' energy: -61.341
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -39.182
tors. eta vs tors. theta energy: -65.542
Dist. restrs. and SS energy: 0.000 (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: 20
Temperature: 1.150000
Total energy: -679.772821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.772821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.772821 (E_RNA)
where:
Base-Base interactions energy: -441.402
where: short stacking energy: -193.787
Base-Backbone interact. energy: -1.745
local terms energy: -236.625965
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -68.262
flat angles C4'-P-C4' energy: -57.074
flat angles P-C4'-P energy: -30.214
tors. eta vs tors. theta energy: -41.906
Dist. restrs. and SS energy: 0.000 (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: 20
Temperature: 1.200000
Total energy: -517.760996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.760996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.760996 (E_RNA)
where:
Base-Base interactions energy: -313.064
where: short stacking energy: -151.087
Base-Backbone interact. energy: -2.690
local terms energy: -202.006672
where:
bonds (distance) C4'-P energy: -49.334
bonds (distance) P-C4' energy: -55.514
flat angles C4'-P-C4' energy: -45.824
flat angles P-C4'-P energy: -39.026
tors. eta vs tors. theta energy: -12.309
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: 20
Temperature: 1.250000
Total energy: -515.824957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.824957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.824957 (E_RNA)
where:
Base-Base interactions energy: -302.249
where: short stacking energy: -147.368
Base-Backbone interact. energy: 2.969
local terms energy: -216.545206
where:
bonds (distance) C4'-P energy: -55.002
bonds (distance) P-C4' energy: -54.466
flat angles C4'-P-C4' energy: -54.090
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (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: 20
Temperature: 1.300000
Total energy: -388.677034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.677034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.677034 (E_RNA)
where:
Base-Base interactions energy: -196.241
where: short stacking energy: -135.297
Base-Backbone interact. energy: -0.748
local terms energy: -191.688580
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -53.220
flat angles C4'-P-C4' energy: -49.145
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -11.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -306.969680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.969680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.969680 (E_RNA)
where:
Base-Base interactions energy: -141.400
where: short stacking energy: -97.289
Base-Backbone interact. energy: -1.579
local terms energy: -163.990366
where:
bonds (distance) C4'-P energy: -54.758
bonds (distance) P-C4' energy: -42.431
flat angles C4'-P-C4' energy: -47.023
flat angles P-C4'-P energy: -16.708
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (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: 21
Temperature: 0.900000
Total energy: -911.830339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.830339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.830339 (E_RNA)
where:
Base-Base interactions energy: -612.870
where: short stacking energy: -278.233
Base-Backbone interact. energy: -0.289
local terms energy: -298.671579
where:
bonds (distance) C4'-P energy: -56.023
bonds (distance) P-C4' energy: -63.486
flat angles C4'-P-C4' energy: -68.047
flat angles P-C4'-P energy: -40.193
tors. eta vs tors. theta energy: -70.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -916.850112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.850112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.850112 (E_RNA)
where:
Base-Base interactions energy: -618.549
where: short stacking energy: -285.840
Base-Backbone interact. energy: -1.374
local terms energy: -296.927320
where:
bonds (distance) C4'-P energy: -49.910
bonds (distance) P-C4' energy: -58.197
flat angles C4'-P-C4' energy: -65.731
flat angles P-C4'-P energy: -47.136
tors. eta vs tors. theta energy: -75.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -851.550609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.550609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.550609 (E_RNA)
where:
Base-Base interactions energy: -560.700
where: short stacking energy: -258.159
Base-Backbone interact. energy: -0.668
local terms energy: -290.183147
where:
bonds (distance) C4'-P energy: -58.581
bonds (distance) P-C4' energy: -53.543
flat angles C4'-P-C4' energy: -60.003
flat angles P-C4'-P energy: -45.585
tors. eta vs tors. theta energy: -72.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -802.445263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.445263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.445263 (E_RNA)
where:
Base-Base interactions energy: -532.214
where: short stacking energy: -239.946
Base-Backbone interact. energy: -2.033
local terms energy: -268.198239
where:
bonds (distance) C4'-P energy: -54.327
bonds (distance) P-C4' energy: -59.310
flat angles C4'-P-C4' energy: -62.732
flat angles P-C4'-P energy: -43.785
tors. eta vs tors. theta energy: -48.043
Dist. restrs. and SS energy: 0.000 (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: 21
Temperature: 1.100000
Total energy: -727.036012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.036012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.036012 (E_RNA)
where:
Base-Base interactions energy: -469.793
where: short stacking energy: -221.468
Base-Backbone interact. energy: -1.013
local terms energy: -256.230113
where:
bonds (distance) C4'-P energy: -57.578
bonds (distance) P-C4' energy: -40.240
flat angles C4'-P-C4' energy: -60.738
flat angles P-C4'-P energy: -44.538
tors. eta vs tors. theta energy: -53.135
Dist. restrs. and SS energy: 0.000 (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: 21
Temperature: 1.150000
Total energy: -596.697260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.697260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.697260 (E_RNA)
where:
Base-Base interactions energy: -381.227
where: short stacking energy: -190.488
Base-Backbone interact. energy: 8.229
local terms energy: -223.699406
where:
bonds (distance) C4'-P energy: -47.921
bonds (distance) P-C4' energy: -54.893
flat angles C4'-P-C4' energy: -50.700
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -35.839
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: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -497.368383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.368383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.368383 (E_RNA)
where:
Base-Base interactions energy: -302.550
where: short stacking energy: -159.985
Base-Backbone interact. energy: -2.237
local terms energy: -192.581736
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -56.903
flat angles C4'-P-C4' energy: -35.527
flat angles P-C4'-P energy: -26.979
tors. eta vs tors. theta energy: -24.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -511.540841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.540841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.540841 (E_RNA)
where:
Base-Base interactions energy: -310.387
where: short stacking energy: -155.202
Base-Backbone interact. energy: 0.588
local terms energy: -201.741980
where:
bonds (distance) C4'-P energy: -49.744
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -52.337
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -373.621585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.621585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.621585 (E_RNA)
where:
Base-Base interactions energy: -191.765
where: short stacking energy: -111.086
Base-Backbone interact. energy: -0.314
local terms energy: -181.542151
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -54.370
flat angles C4'-P-C4' energy: -50.590
flat angles P-C4'-P energy: -18.076
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -269.121159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.121159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.121159 (E_RNA)
where:
Base-Base interactions energy: -135.144
where: short stacking energy: -96.434
Base-Backbone interact. energy: 3.447
local terms energy: -137.423817
where:
bonds (distance) C4'-P energy: -38.697
bonds (distance) P-C4' energy: -44.848
flat angles C4'-P-C4' energy: -36.673
flat angles P-C4'-P energy: -17.274
tors. eta vs tors. theta energy: 0.069
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: 1, replica: 9
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -944.667448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.667448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.667448 (E_RNA)
where:
Base-Base interactions energy: -628.569
where: short stacking energy: -291.746
Base-Backbone interact. energy: -0.282
local terms energy: -315.817147
where:
bonds (distance) C4'-P energy: -67.624
bonds (distance) P-C4' energy: -59.720
flat angles C4'-P-C4' energy: -68.683
flat angles P-C4'-P energy: -37.413
tors. eta vs tors. theta energy: -82.377
Dist. restrs. and SS energy: 0.000 (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: 22
Temperature: 0.950000
Total energy: -889.981546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.981546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.981546 (E_RNA)
where:
Base-Base interactions energy: -603.628
where: short stacking energy: -273.717
Base-Backbone interact. energy: -1.804
local terms energy: -284.549557
where:
bonds (distance) C4'-P energy: -60.695
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -70.315
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -67.160
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: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -855.774773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.774773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.774773 (E_RNA)
where:
Base-Base interactions energy: -549.533
where: short stacking energy: -266.969
Base-Backbone interact. energy: -1.651
local terms energy: -304.591226
where:
bonds (distance) C4'-P energy: -56.911
bonds (distance) P-C4' energy: -55.623
flat angles C4'-P-C4' energy: -65.430
flat angles P-C4'-P energy: -50.648
tors. eta vs tors. theta energy: -75.979
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: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -783.133409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.133409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.133409 (E_RNA)
where:
Base-Base interactions energy: -518.196
where: short stacking energy: -226.213
Base-Backbone interact. energy: 1.486
local terms energy: -266.423118
where:
bonds (distance) C4'-P energy: -57.644
bonds (distance) P-C4' energy: -59.191
flat angles C4'-P-C4' energy: -57.166
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -48.694
Dist. restrs. and SS energy: 0.000 (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: 22
Temperature: 1.100000
Total energy: -766.496074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.496074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.496074 (E_RNA)
where:
Base-Base interactions energy: -478.864
where: short stacking energy: -240.380
Base-Backbone interact. energy: -0.213
local terms energy: -287.419205
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -49.927
flat angles C4'-P-C4' energy: -62.642
flat angles P-C4'-P energy: -46.852
tors. eta vs tors. theta energy: -69.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -562.763959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.763959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.763959 (E_RNA)
where:
Base-Base interactions energy: -322.445
where: short stacking energy: -162.114
Base-Backbone interact. energy: -0.890
local terms energy: -239.428551
where:
bonds (distance) C4'-P energy: -59.335
bonds (distance) P-C4' energy: -59.865
flat angles C4'-P-C4' energy: -58.406
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -514.423988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.423988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.423988 (E_RNA)
where:
Base-Base interactions energy: -295.609
where: short stacking energy: -156.617
Base-Backbone interact. energy: 0.553
local terms energy: -219.368155
where:
bonds (distance) C4'-P energy: -56.045
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -44.858
flat angles P-C4'-P energy: -37.043
tors. eta vs tors. theta energy: -29.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -516.653221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.653221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.653221 (E_RNA)
where:
Base-Base interactions energy: -311.668
where: short stacking energy: -167.272
Base-Backbone interact. energy: -3.352
local terms energy: -201.633941
where:
bonds (distance) C4'-P energy: -37.471
bonds (distance) P-C4' energy: -48.750
flat angles C4'-P-C4' energy: -50.671
flat angles P-C4'-P energy: -33.632
tors. eta vs tors. theta energy: -31.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -379.119863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.119863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.119863 (E_RNA)
where:
Base-Base interactions energy: -208.634
where: short stacking energy: -117.430
Base-Backbone interact. energy: 2.121
local terms energy: -172.606539
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -46.076
flat angles C4'-P-C4' energy: -50.206
flat angles P-C4'-P energy: -25.958
tors. eta vs tors. theta energy: -0.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -259.829689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.829689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.829689 (E_RNA)
where:
Base-Base interactions energy: -94.626
where: short stacking energy: -88.547
Base-Backbone interact. energy: -0.638
local terms energy: -164.565249
where:
bonds (distance) C4'-P energy: -44.164
bonds (distance) P-C4' energy: -50.485
flat angles C4'-P-C4' energy: -39.501
flat angles P-C4'-P energy: -24.274
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (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: 23
Temperature: 0.900000
Total energy: -961.254315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.254315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.254315 (E_RNA)
where:
Base-Base interactions energy: -642.226
where: short stacking energy: -298.505
Base-Backbone interact. energy: -2.305
local terms energy: -316.723275
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -68.242
flat angles C4'-P-C4' energy: -63.870
flat angles P-C4'-P energy: -45.028
tors. eta vs tors. theta energy: -80.352
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -901.367459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.367459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.367459 (E_RNA)
where:
Base-Base interactions energy: -599.172
where: short stacking energy: -259.957
Base-Backbone interact. energy: 0.415
local terms energy: -302.610649
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -57.999
flat angles C4'-P-C4' energy: -69.332
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: -69.709
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: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -849.877366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.877366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.877366 (E_RNA)
where:
Base-Base interactions energy: -574.416
where: short stacking energy: -267.323
Base-Backbone interact. energy: -2.334
local terms energy: -273.127760
where:
bonds (distance) C4'-P energy: -46.650
bonds (distance) P-C4' energy: -61.019
flat angles C4'-P-C4' energy: -50.974
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -71.437
Dist. restrs. and SS energy: 0.000 (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: 23
Temperature: 1.050000
Total energy: -787.982166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.982166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.982166 (E_RNA)
where:
Base-Base interactions energy: -503.628
where: short stacking energy: -238.299
Base-Backbone interact. energy: -0.318
local terms energy: -284.035662
where:
bonds (distance) C4'-P energy: -51.777
bonds (distance) P-C4' energy: -57.613
flat angles C4'-P-C4' energy: -63.975
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -66.648
Dist. restrs. and SS energy: 0.000 (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: 23
Temperature: 1.100000
Total energy: -748.848001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.848001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.848001 (E_RNA)
where:
Base-Base interactions energy: -506.832
where: short stacking energy: -220.950
Base-Backbone interact. energy: -1.069
local terms energy: -240.946629
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -58.452
flat angles C4'-P-C4' energy: -53.164
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -43.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -578.062083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.062083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.062083 (E_RNA)
where:
Base-Base interactions energy: -345.747
where: short stacking energy: -163.047
Base-Backbone interact. energy: 1.860
local terms energy: -234.174441
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -57.353
flat angles C4'-P-C4' energy: -54.611
flat angles P-C4'-P energy: -35.039
tors. eta vs tors. theta energy: -28.024
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: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -537.410142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.410142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.410142 (E_RNA)
where:
Base-Base interactions energy: -307.143
where: short stacking energy: -179.835
Base-Backbone interact. energy: -1.110
local terms energy: -229.157184
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -48.659
flat angles C4'-P-C4' energy: -52.434
flat angles P-C4'-P energy: -35.260
tors. eta vs tors. theta energy: -38.405
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: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -533.429897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.429897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.429897 (E_RNA)
where:
Base-Base interactions energy: -323.031
where: short stacking energy: -173.140
Base-Backbone interact. energy: 0.478
local terms energy: -210.876871
where:
bonds (distance) C4'-P energy: -45.982
bonds (distance) P-C4' energy: -60.448
flat angles C4'-P-C4' energy: -46.216
flat angles P-C4'-P energy: -33.483
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (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: 23
Temperature: 1.300000
Total energy: -362.116367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.116367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.116367 (E_RNA)
where:
Base-Base interactions energy: -202.237
where: short stacking energy: -108.756
Base-Backbone interact. energy: -0.335
local terms energy: -159.544018
where:
bonds (distance) C4'-P energy: -46.979
bonds (distance) P-C4' energy: -50.709
flat angles C4'-P-C4' energy: -44.194
flat angles P-C4'-P energy: -20.418
tors. eta vs tors. theta energy: 2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -252.915653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.915653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.915653 (E_RNA)
where:
Base-Base interactions energy: -91.411
where: short stacking energy: -73.851
Base-Backbone interact. energy: -0.783
local terms energy: -160.721236
where:
bonds (distance) C4'-P energy: -40.573
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -46.506
flat angles P-C4'-P energy: -28.848
tors. eta vs tors. theta energy: 10.378
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: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -959.935682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.935682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.935682 (E_RNA)
where:
Base-Base interactions energy: -646.610
where: short stacking energy: -294.045
Base-Backbone interact. energy: -1.914
local terms energy: -311.411440
where:
bonds (distance) C4'-P energy: -63.837
bonds (distance) P-C4' energy: -57.535
flat angles C4'-P-C4' energy: -66.561
flat angles P-C4'-P energy: -41.072
tors. eta vs tors. theta energy: -82.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -924.192095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.192095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.192095 (E_RNA)
where:
Base-Base interactions energy: -639.628
where: short stacking energy: -274.619
Base-Backbone interact. energy: -2.790
local terms energy: -281.774267
where:
bonds (distance) C4'-P energy: -53.442
bonds (distance) P-C4' energy: -61.099
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -36.315
tors. eta vs tors. theta energy: -65.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -869.174672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.174672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.174672 (E_RNA)
where:
Base-Base interactions energy: -589.733
where: short stacking energy: -243.141
Base-Backbone interact. energy: -1.039
local terms energy: -278.403353
where:
bonds (distance) C4'-P energy: -45.390
bonds (distance) P-C4' energy: -54.443
flat angles C4'-P-C4' energy: -62.295
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -70.714
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: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -772.065579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.065579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.065579 (E_RNA)
where:
Base-Base interactions energy: -509.770
where: short stacking energy: -253.648
Base-Backbone interact. energy: 0.438
local terms energy: -262.733892
where:
bonds (distance) C4'-P energy: -57.310
bonds (distance) P-C4' energy: -51.292
flat angles C4'-P-C4' energy: -49.735
flat angles P-C4'-P energy: -36.235
tors. eta vs tors. theta energy: -68.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -734.338394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.338394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.338394 (E_RNA)
where:
Base-Base interactions energy: -496.887
where: short stacking energy: -218.413
Base-Backbone interact. energy: 0.161
local terms energy: -237.612480
where:
bonds (distance) C4'-P energy: -41.323
bonds (distance) P-C4' energy: -52.486
flat angles C4'-P-C4' energy: -55.876
flat angles P-C4'-P energy: -48.121
tors. eta vs tors. theta energy: -39.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -578.297962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.297962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.297962 (E_RNA)
where:
Base-Base interactions energy: -351.247
where: short stacking energy: -183.953
Base-Backbone interact. energy: -0.955
local terms energy: -226.095796
where:
bonds (distance) C4'-P energy: -53.136
bonds (distance) P-C4' energy: -52.078
flat angles C4'-P-C4' energy: -47.485
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -33.112
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: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -545.392083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.392083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.392083 (E_RNA)
where:
Base-Base interactions energy: -316.894
where: short stacking energy: -172.812
Base-Backbone interact. energy: -0.522
local terms energy: -227.976042
where:
bonds (distance) C4'-P energy: -47.363
bonds (distance) P-C4' energy: -59.192
flat angles C4'-P-C4' energy: -54.139
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -36.900
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: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -473.938021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.938021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.938021 (E_RNA)
where:
Base-Base interactions energy: -263.715
where: short stacking energy: -163.788
Base-Backbone interact. energy: 3.972
local terms energy: -214.194795
where:
bonds (distance) C4'-P energy: -55.825
bonds (distance) P-C4' energy: -49.843
flat angles C4'-P-C4' energy: -49.152
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.000 (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: 24
Temperature: 1.300000
Total energy: -394.907200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.907200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.907200 (E_RNA)
where:
Base-Base interactions energy: -224.789
where: short stacking energy: -132.678
Base-Backbone interact. energy: 0.755
local terms energy: -170.873055
where:
bonds (distance) C4'-P energy: -39.567
bonds (distance) P-C4' energy: -51.400
flat angles C4'-P-C4' energy: -41.564
flat angles P-C4'-P energy: -27.478
tors. eta vs tors. theta energy: -10.864
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: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -257.445725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.445725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.445725 (E_RNA)
where:
Base-Base interactions energy: -110.698
where: short stacking energy: -95.382
Base-Backbone interact. energy: -1.221
local terms energy: -145.527244
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -49.601
flat angles C4'-P-C4' energy: -48.094
flat angles P-C4'-P energy: -20.705
tors. eta vs tors. theta energy: 3.734
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: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -972.129112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.129112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.129112 (E_RNA)
where:
Base-Base interactions energy: -649.185
where: short stacking energy: -288.126
Base-Backbone interact. energy: -0.839
local terms energy: -322.105506
where:
bonds (distance) C4'-P energy: -56.174
bonds (distance) P-C4' energy: -70.002
flat angles C4'-P-C4' energy: -69.181
flat angles P-C4'-P energy: -46.523
tors. eta vs tors. theta energy: -80.226
Dist. restrs. and SS energy: 0.000 (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: 25
Temperature: 0.950000
Total energy: -928.404523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.404523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.404523 (E_RNA)
where:
Base-Base interactions energy: -636.891
where: short stacking energy: -257.794
Base-Backbone interact. energy: -1.947
local terms energy: -289.566183
where:
bonds (distance) C4'-P energy: -59.523
bonds (distance) P-C4' energy: -60.844
flat angles C4'-P-C4' energy: -66.192
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -59.937
Dist. restrs. and SS energy: 0.000 (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: 25
Temperature: 1.000000
Total energy: -889.345226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.345226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.345226 (E_RNA)
where:
Base-Base interactions energy: -585.711
where: short stacking energy: -257.606
Base-Backbone interact. energy: -4.070
local terms energy: -299.564558
where:
bonds (distance) C4'-P energy: -66.761
bonds (distance) P-C4' energy: -61.920
flat angles C4'-P-C4' energy: -58.048
flat angles P-C4'-P energy: -36.891
tors. eta vs tors. theta energy: -75.945
Dist. restrs. and SS energy: 0.000 (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: 25
Temperature: 1.050000
Total energy: -797.845015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.845015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.845015 (E_RNA)
where:
Base-Base interactions energy: -525.000
where: short stacking energy: -252.090
Base-Backbone interact. energy: -0.153
local terms energy: -272.692255
where:
bonds (distance) C4'-P energy: -57.241
bonds (distance) P-C4' energy: -58.041
flat angles C4'-P-C4' energy: -54.063
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -63.886
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: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -731.285585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.285585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.285585 (E_RNA)
where:
Base-Base interactions energy: -514.652
where: short stacking energy: -230.116
Base-Backbone interact. energy: -0.766
local terms energy: -215.867988
where:
bonds (distance) C4'-P energy: -38.830
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -31.495
tors. eta vs tors. theta energy: -39.464
Dist. restrs. and SS energy: 0.000 (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: 25
Temperature: 1.150000
Total energy: -613.571930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.571930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.571930 (E_RNA)
where:
Base-Base interactions energy: -384.429
where: short stacking energy: -215.964
Base-Backbone interact. energy: -1.262
local terms energy: -227.880403
where:
bonds (distance) C4'-P energy: -44.548
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -50.396
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: -47.111
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -542.104995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.104995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.104995 (E_RNA)
where:
Base-Base interactions energy: -312.323
where: short stacking energy: -159.269
Base-Backbone interact. energy: 2.009
local terms energy: -231.790985
where:
bonds (distance) C4'-P energy: -51.245
bonds (distance) P-C4' energy: -49.069
flat angles C4'-P-C4' energy: -51.224
flat angles P-C4'-P energy: -39.235
tors. eta vs tors. theta energy: -41.019
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: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -400.867213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.867213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.867213 (E_RNA)
where:
Base-Base interactions energy: -215.940
where: short stacking energy: -135.053
Base-Backbone interact. energy: -1.124
local terms energy: -183.803617
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -48.965
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: -21.555
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: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -408.149771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.149771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.149771 (E_RNA)
where:
Base-Base interactions energy: -215.517
where: short stacking energy: -115.292
Base-Backbone interact. energy: -2.338
local terms energy: -190.294784
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -59.725
flat angles C4'-P-C4' energy: -46.510
flat angles P-C4'-P energy: -20.821
tors. eta vs tors. theta energy: -14.240
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: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -277.716602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.716602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.716602 (E_RNA)
where:
Base-Base interactions energy: -98.906
where: short stacking energy: -85.919
Base-Backbone interact. energy: 1.759
local terms energy: -180.569729
where:
bonds (distance) C4'-P energy: -54.483
bonds (distance) P-C4' energy: -57.408
flat angles C4'-P-C4' energy: -37.414
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: 1.413
Dist. restrs. and SS energy: 0.000 (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: 26
Temperature: 0.900000
Total energy: -952.585668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.585668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.585668 (E_RNA)
where:
Base-Base interactions energy: -654.116
where: short stacking energy: -277.575
Base-Backbone interact. energy: 0.405
local terms energy: -298.874415
where:
bonds (distance) C4'-P energy: -60.438
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -68.193
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: -64.326
Dist. restrs. and SS energy: 0.000 (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: 26
Temperature: 0.950000
Total energy: -958.075492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.075492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.075492 (E_RNA)
where:
Base-Base interactions energy: -655.818
where: short stacking energy: -297.593
Base-Backbone interact. energy: -2.186
local terms energy: -300.071455
where:
bonds (distance) C4'-P energy: -58.191
bonds (distance) P-C4' energy: -45.927
flat angles C4'-P-C4' energy: -59.074
flat angles P-C4'-P energy: -50.138
tors. eta vs tors. theta energy: -86.741
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: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -905.091861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.091861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.091861 (E_RNA)
where:
Base-Base interactions energy: -606.211
where: short stacking energy: -264.240
Base-Backbone interact. energy: -1.255
local terms energy: -297.625614
where:
bonds (distance) C4'-P energy: -60.502
bonds (distance) P-C4' energy: -63.083
flat angles C4'-P-C4' energy: -55.176
flat angles P-C4'-P energy: -44.665
tors. eta vs tors. theta energy: -74.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -799.040958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.040958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.040958 (E_RNA)
where:
Base-Base interactions energy: -511.460
where: short stacking energy: -261.264
Base-Backbone interact. energy: 2.675
local terms energy: -290.255624
where:
bonds (distance) C4'-P energy: -47.652
bonds (distance) P-C4' energy: -54.576
flat angles C4'-P-C4' energy: -70.451
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -73.579
Dist. restrs. and SS energy: 0.000 (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: 26
Temperature: 1.100000
Total energy: -726.824537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.824537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.824537 (E_RNA)
where:
Base-Base interactions energy: -467.309
where: short stacking energy: -223.404
Base-Backbone interact. energy: -1.746
local terms energy: -257.768836
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -38.281
tors. eta vs tors. theta energy: -52.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -645.458895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.458895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.458895 (E_RNA)
where:
Base-Base interactions energy: -408.631
where: short stacking energy: -201.432
Base-Backbone interact. energy: -0.691
local terms energy: -236.137495
where:
bonds (distance) C4'-P energy: -45.655
bonds (distance) P-C4' energy: -47.287
flat angles C4'-P-C4' energy: -60.946
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -47.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -512.421120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.421120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.421120 (E_RNA)
where:
Base-Base interactions energy: -308.351
where: short stacking energy: -171.992
Base-Backbone interact. energy: -0.773
local terms energy: -203.297020
where:
bonds (distance) C4'-P energy: -49.643
bonds (distance) P-C4' energy: -47.612
flat angles C4'-P-C4' energy: -48.031
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (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: 26
Temperature: 1.250000
Total energy: -405.570743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.570743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.570743 (E_RNA)
where:
Base-Base interactions energy: -220.463
where: short stacking energy: -140.130
Base-Backbone interact. energy: 2.543
local terms energy: -187.651089
where:
bonds (distance) C4'-P energy: -51.214
bonds (distance) P-C4' energy: -54.795
flat angles C4'-P-C4' energy: -49.933
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -386.803797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.803797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.803797 (E_RNA)
where:
Base-Base interactions energy: -204.548
where: short stacking energy: -112.570
Base-Backbone interact. energy: -0.623
local terms energy: -181.633296
where:
bonds (distance) C4'-P energy: -30.827
bonds (distance) P-C4' energy: -45.927
flat angles C4'-P-C4' energy: -59.301
flat angles P-C4'-P energy: -31.302
tors. eta vs tors. theta energy: -14.276
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: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -286.595501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.595501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.595501 (E_RNA)
where:
Base-Base interactions energy: -131.563
where: short stacking energy: -93.311
Base-Backbone interact. energy: 3.779
local terms energy: -158.811810
where:
bonds (distance) C4'-P energy: -49.506
bonds (distance) P-C4' energy: -51.304
flat angles C4'-P-C4' energy: -35.129
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -942.368101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.368101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.368101 (E_RNA)
where:
Base-Base interactions energy: -661.515
where: short stacking energy: -274.446
Base-Backbone interact. energy: -1.118
local terms energy: -279.734953
where:
bonds (distance) C4'-P energy: -60.479
bonds (distance) P-C4' energy: -48.226
flat angles C4'-P-C4' energy: -60.334
flat angles P-C4'-P energy: -47.275
tors. eta vs tors. theta energy: -63.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -950.081255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.081255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.081255 (E_RNA)
where:
Base-Base interactions energy: -641.753
where: short stacking energy: -286.196
Base-Backbone interact. energy: 1.332
local terms energy: -309.660111
where:
bonds (distance) C4'-P energy: -56.399
bonds (distance) P-C4' energy: -66.557
flat angles C4'-P-C4' energy: -59.664
flat angles P-C4'-P energy: -47.016
tors. eta vs tors. theta energy: -80.024
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: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -914.342324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.342324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.342324 (E_RNA)
where:
Base-Base interactions energy: -623.975
where: short stacking energy: -260.734
Base-Backbone interact. energy: 1.785
local terms energy: -292.152709
where:
bonds (distance) C4'-P energy: -64.409
bonds (distance) P-C4' energy: -54.102
flat angles C4'-P-C4' energy: -64.059
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -69.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -799.488686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.488686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.488686 (E_RNA)
where:
Base-Base interactions energy: -520.722
where: short stacking energy: -251.872
Base-Backbone interact. energy: -0.441
local terms energy: -278.325950
where:
bonds (distance) C4'-P energy: -55.912
bonds (distance) P-C4' energy: -56.185
flat angles C4'-P-C4' energy: -57.905
flat angles P-C4'-P energy: -36.658
tors. eta vs tors. theta energy: -71.666
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: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -716.547025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.547025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.547025 (E_RNA)
where:
Base-Base interactions energy: -454.752
where: short stacking energy: -226.090
Base-Backbone interact. energy: 0.272
local terms energy: -262.067022
where:
bonds (distance) C4'-P energy: -61.052
bonds (distance) P-C4' energy: -54.598
flat angles C4'-P-C4' energy: -64.499
flat angles P-C4'-P energy: -28.414
tors. eta vs tors. theta energy: -53.504
Dist. restrs. and SS energy: 0.000 (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: 27
Temperature: 1.150000
Total energy: -633.070647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.070647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.070647 (E_RNA)
where:
Base-Base interactions energy: -390.990
where: short stacking energy: -217.616
Base-Backbone interact. energy: 0.436
local terms energy: -242.516157
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -53.744
flat angles C4'-P-C4' energy: -48.297
flat angles P-C4'-P energy: -47.193
tors. eta vs tors. theta energy: -51.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -511.679393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.679393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.679393 (E_RNA)
where:
Base-Base interactions energy: -298.206
where: short stacking energy: -173.733
Base-Backbone interact. energy: -0.593
local terms energy: -212.879901
where:
bonds (distance) C4'-P energy: -54.040
bonds (distance) P-C4' energy: -52.125
flat angles C4'-P-C4' energy: -46.651
flat angles P-C4'-P energy: -29.975
tors. eta vs tors. theta energy: -30.089
Dist. restrs. and SS energy: 0.000 (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: 27
Temperature: 1.250000
Total energy: -414.592213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.592213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.592213 (E_RNA)
where:
Base-Base interactions energy: -218.735
where: short stacking energy: -135.951
Base-Backbone interact. energy: 6.272
local terms energy: -202.129425
where:
bonds (distance) C4'-P energy: -44.301
bonds (distance) P-C4' energy: -55.226
flat angles C4'-P-C4' energy: -46.038
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -22.685
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: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -408.628822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.628822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.628822 (E_RNA)
where:
Base-Base interactions energy: -216.386
where: short stacking energy: -127.821
Base-Backbone interact. energy: -0.443
local terms energy: -191.799102
where:
bonds (distance) C4'-P energy: -57.095
bonds (distance) P-C4' energy: -49.628
flat angles C4'-P-C4' energy: -40.556
flat angles P-C4'-P energy: -35.417
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (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: 27
Temperature: 1.350000
Total energy: -320.665100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.665100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.665100 (E_RNA)
where:
Base-Base interactions energy: -156.924
where: short stacking energy: -103.721
Base-Backbone interact. energy: 2.137
local terms energy: -165.877539
where:
bonds (distance) C4'-P energy: -36.711
bonds (distance) P-C4' energy: -53.081
flat angles C4'-P-C4' energy: -50.345
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (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: 28
Temperature: 0.900000
Total energy: -924.367221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.367221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.367221 (E_RNA)
where:
Base-Base interactions energy: -633.474
where: short stacking energy: -278.716
Base-Backbone interact. energy: -1.396
local terms energy: -289.497108
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -58.492
flat angles C4'-P-C4' energy: -62.802
flat angles P-C4'-P energy: -48.779
tors. eta vs tors. theta energy: -59.517
Dist. restrs. and SS energy: 0.000 (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: 28
Temperature: 0.950000
Total energy: -934.668539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.668539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.668539 (E_RNA)
where:
Base-Base interactions energy: -638.978
where: short stacking energy: -295.635
Base-Backbone interact. energy: -2.058
local terms energy: -293.632145
where:
bonds (distance) C4'-P energy: -53.201
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -66.459
flat angles P-C4'-P energy: -37.336
tors. eta vs tors. theta energy: -81.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -904.933374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.933374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.933374 (E_RNA)
where:
Base-Base interactions energy: -633.201
where: short stacking energy: -270.967
Base-Backbone interact. energy: -1.351
local terms energy: -270.381127
where:
bonds (distance) C4'-P energy: -51.487
bonds (distance) P-C4' energy: -55.261
flat angles C4'-P-C4' energy: -61.937
flat angles P-C4'-P energy: -40.674
tors. eta vs tors. theta energy: -61.022
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: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -810.537985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.537985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.537985 (E_RNA)
where:
Base-Base interactions energy: -529.435
where: short stacking energy: -258.543
Base-Backbone interact. energy: -0.488
local terms energy: -280.614278
where:
bonds (distance) C4'-P energy: -50.622
bonds (distance) P-C4' energy: -53.431
flat angles C4'-P-C4' energy: -64.366
flat angles P-C4'-P energy: -39.725
tors. eta vs tors. theta energy: -72.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -694.756750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.756750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.756750 (E_RNA)
where:
Base-Base interactions energy: -463.871
where: short stacking energy: -200.377
Base-Backbone interact. energy: 4.441
local terms energy: -235.327710
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -49.140
flat angles C4'-P-C4' energy: -65.573
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -32.914
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: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -632.086228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.086228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.086228 (E_RNA)
where:
Base-Base interactions energy: -394.377
where: short stacking energy: -205.543
Base-Backbone interact. energy: 0.898
local terms energy: -238.607255
where:
bonds (distance) C4'-P energy: -50.656
bonds (distance) P-C4' energy: -53.938
flat angles C4'-P-C4' energy: -56.773
flat angles P-C4'-P energy: -26.276
tors. eta vs tors. theta energy: -50.965
Dist. restrs. and SS energy: 0.000 (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: 28
Temperature: 1.200000
Total energy: -524.234786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.234786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.234786 (E_RNA)
where:
Base-Base interactions energy: -321.854
where: short stacking energy: -178.136
Base-Backbone interact. energy: 8.376
local terms energy: -210.757151
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -55.679
flat angles C4'-P-C4' energy: -60.037
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -22.164
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: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -407.580657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.580657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.580657 (E_RNA)
where:
Base-Base interactions energy: -204.710
where: short stacking energy: -125.041
Base-Backbone interact. energy: -1.679
local terms energy: -201.191691
where:
bonds (distance) C4'-P energy: -44.967
bonds (distance) P-C4' energy: -55.640
flat angles C4'-P-C4' energy: -46.838
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -22.483
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: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -362.396469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.396469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.396469 (E_RNA)
where:
Base-Base interactions energy: -188.464
where: short stacking energy: -100.393
Base-Backbone interact. energy: -0.048
local terms energy: -173.884788
where:
bonds (distance) C4'-P energy: -42.857
bonds (distance) P-C4' energy: -46.082
flat angles C4'-P-C4' energy: -51.313
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -5.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -311.299531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.299531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.299531 (E_RNA)
where:
Base-Base interactions energy: -139.651
where: short stacking energy: -85.202
Base-Backbone interact. energy: 1.519
local terms energy: -173.166943
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -50.151
flat angles C4'-P-C4' energy: -48.089
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: 1.863
Dist. restrs. and SS energy: 0.000 (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: 29
Temperature: 0.900000
Total energy: -948.847272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.847272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.847272 (E_RNA)
where:
Base-Base interactions energy: -662.271
where: short stacking energy: -286.896
Base-Backbone interact. energy: -0.818
local terms energy: -285.757990
where:
bonds (distance) C4'-P energy: -51.842
bonds (distance) P-C4' energy: -63.557
flat angles C4'-P-C4' energy: -55.213
flat angles P-C4'-P energy: -45.218
tors. eta vs tors. theta energy: -69.927
Dist. restrs. and SS energy: 0.000 (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: 29
Temperature: 0.950000
Total energy: -910.712617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.712617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.712617 (E_RNA)
where:
Base-Base interactions energy: -634.846
where: short stacking energy: -254.798
Base-Backbone interact. energy: -1.533
local terms energy: -274.333841
where:
bonds (distance) C4'-P energy: -58.672
bonds (distance) P-C4' energy: -60.572
flat angles C4'-P-C4' energy: -51.104
flat angles P-C4'-P energy: -40.989
tors. eta vs tors. theta energy: -62.997
Dist. restrs. and SS energy: 0.000 (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: 29
Temperature: 1.000000
Total energy: -938.375101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.375101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.375101 (E_RNA)
where:
Base-Base interactions energy: -644.407
where: short stacking energy: -291.943
Base-Backbone interact. energy: -1.233
local terms energy: -292.734890
where:
bonds (distance) C4'-P energy: -53.453
bonds (distance) P-C4' energy: -60.933
flat angles C4'-P-C4' energy: -63.120
flat angles P-C4'-P energy: -42.493
tors. eta vs tors. theta energy: -72.736
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: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -798.086550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.086550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.086550 (E_RNA)
where:
Base-Base interactions energy: -526.154
where: short stacking energy: -249.622
Base-Backbone interact. energy: -1.116
local terms energy: -270.816906
where:
bonds (distance) C4'-P energy: -48.524
bonds (distance) P-C4' energy: -57.772
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: -64.625
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: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -683.419558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.419558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.419558 (E_RNA)
where:
Base-Base interactions energy: -432.294
where: short stacking energy: -190.778
Base-Backbone interact. energy: -1.378
local terms energy: -249.747789
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -58.375
flat angles C4'-P-C4' energy: -56.436
flat angles P-C4'-P energy: -36.271
tors. eta vs tors. theta energy: -43.054
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: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -660.950362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.950362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.950362 (E_RNA)
where:
Base-Base interactions energy: -418.925
where: short stacking energy: -205.199
Base-Backbone interact. energy: -0.080
local terms energy: -241.945552
where:
bonds (distance) C4'-P energy: -58.058
bonds (distance) P-C4' energy: -54.744
flat angles C4'-P-C4' energy: -60.483
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -44.259
Dist. restrs. and SS energy: 0.000 (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: 29
Temperature: 1.200000
Total energy: -549.831234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.831234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.831234 (E_RNA)
where:
Base-Base interactions energy: -352.187
where: short stacking energy: -163.853
Base-Backbone interact. energy: 2.324
local terms energy: -199.968538
where:
bonds (distance) C4'-P energy: -61.427
bonds (distance) P-C4' energy: -42.008
flat angles C4'-P-C4' energy: -51.377
flat angles P-C4'-P energy: -23.490
tors. eta vs tors. theta energy: -21.666
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: 8, replica: 4
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -439.356849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.356849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.356849 (E_RNA)
where:
Base-Base interactions energy: -241.101
where: short stacking energy: -119.144
Base-Backbone interact. energy: 0.205
local terms energy: -198.460941
where:
bonds (distance) C4'-P energy: -59.507
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -40.547
flat angles P-C4'-P energy: -38.903
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (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: 29
Temperature: 1.300000
Total energy: -389.808637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.808637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.808637 (E_RNA)
where:
Base-Base interactions energy: -215.965
where: short stacking energy: -132.682
Base-Backbone interact. energy: -1.189
local terms energy: -172.654856
where:
bonds (distance) C4'-P energy: -48.222
bonds (distance) P-C4' energy: -57.041
flat angles C4'-P-C4' energy: -39.692
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -14.041
Dist. restrs. and SS energy: 0.000 (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: 29
Temperature: 1.350000
Total energy: -248.488464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.488464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.488464 (E_RNA)
where:
Base-Base interactions energy: -91.446
where: short stacking energy: -84.342
Base-Backbone interact. energy: -0.809
local terms energy: -156.233331
where:
bonds (distance) C4'-P energy: -60.035
bonds (distance) P-C4' energy: -43.646
flat angles C4'-P-C4' energy: -43.603
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: 4.315
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: 1, replica: 2
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -946.696221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.696221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.696221 (E_RNA)
where:
Base-Base interactions energy: -643.971
where: short stacking energy: -262.089
Base-Backbone interact. energy: -2.287
local terms energy: -300.437817
where:
bonds (distance) C4'-P energy: -64.481
bonds (distance) P-C4' energy: -62.231
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -46.390
tors. eta vs tors. theta energy: -66.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -961.265619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.265619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.265619 (E_RNA)
where:
Base-Base interactions energy: -664.348
where: short stacking energy: -264.396
Base-Backbone interact. energy: -1.977
local terms energy: -294.940386
where:
bonds (distance) C4'-P energy: -59.088
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -58.258
flat angles P-C4'-P energy: -47.067
tors. eta vs tors. theta energy: -72.893
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: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -923.869129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.869129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.869129 (E_RNA)
where:
Base-Base interactions energy: -621.750
where: short stacking energy: -279.242
Base-Backbone interact. energy: -1.726
local terms energy: -300.393140
where:
bonds (distance) C4'-P energy: -51.299
bonds (distance) P-C4' energy: -53.751
flat angles C4'-P-C4' energy: -69.719
flat angles P-C4'-P energy: -48.138
tors. eta vs tors. theta energy: -77.486
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: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -808.837957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.837957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.837957 (E_RNA)
where:
Base-Base interactions energy: -529.670
where: short stacking energy: -248.406
Base-Backbone interact. energy: -1.423
local terms energy: -277.744722
where:
bonds (distance) C4'-P energy: -48.294
bonds (distance) P-C4' energy: -54.172
flat angles C4'-P-C4' energy: -65.146
flat angles P-C4'-P energy: -47.463
tors. eta vs tors. theta energy: -62.671
Dist. restrs. and SS energy: 0.000 (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: 30
Temperature: 1.100000
Total energy: -711.592449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.592449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.592449 (E_RNA)
where:
Base-Base interactions energy: -437.309
where: short stacking energy: -229.519
Base-Backbone interact. energy: -0.586
local terms energy: -273.696567
where:
bonds (distance) C4'-P energy: -65.900
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -62.724
flat angles P-C4'-P energy: -32.863
tors. eta vs tors. theta energy: -56.731
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: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -691.422731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.422731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.422731 (E_RNA)
where:
Base-Base interactions energy: -456.434
where: short stacking energy: -204.836
Base-Backbone interact. energy: -4.159
local terms energy: -230.829641
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -53.270
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: -42.891
Dist. restrs. and SS energy: 0.000 (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: 30
Temperature: 1.200000
Total energy: -563.690127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.690127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.690127 (E_RNA)
where:
Base-Base interactions energy: -343.567
where: short stacking energy: -163.453
Base-Backbone interact. energy: -1.527
local terms energy: -218.595924
where:
bonds (distance) C4'-P energy: -60.877
bonds (distance) P-C4' energy: -51.125
flat angles C4'-P-C4' energy: -43.476
flat angles P-C4'-P energy: -37.642
tors. eta vs tors. theta energy: -25.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -471.430280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.430280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.430280 (E_RNA)
where:
Base-Base interactions energy: -296.405
where: short stacking energy: -140.702
Base-Backbone interact. energy: -1.622
local terms energy: -173.403238
where:
bonds (distance) C4'-P energy: -51.711
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -49.712
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (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: 30
Temperature: 1.300000
Total energy: -392.854554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.854554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.854554 (E_RNA)
where:
Base-Base interactions energy: -193.669
where: short stacking energy: -124.154
Base-Backbone interact. energy: -0.598
local terms energy: -198.588329
where:
bonds (distance) C4'-P energy: -43.545
bonds (distance) P-C4' energy: -54.562
flat angles C4'-P-C4' energy: -50.712
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -20.309
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: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -258.977629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.977629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.977629 (E_RNA)
where:
Base-Base interactions energy: -110.477
where: short stacking energy: -81.261
Base-Backbone interact. energy: 8.381
local terms energy: -156.880834
where:
bonds (distance) C4'-P energy: -55.984
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -39.319
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: 10.618
Dist. restrs. and SS energy: 0.000 (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: 31
Temperature: 0.900000
Total energy: -939.034251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.034251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.034251 (E_RNA)
where:
Base-Base interactions energy: -638.551
where: short stacking energy: -270.955
Base-Backbone interact. energy: 0.119
local terms energy: -300.602522
where:
bonds (distance) C4'-P energy: -64.765
bonds (distance) P-C4' energy: -59.653
flat angles C4'-P-C4' energy: -64.379
flat angles P-C4'-P energy: -46.194
tors. eta vs tors. theta energy: -65.611
Dist. restrs. and SS energy: 0.000 (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: 31
Temperature: 0.950000
Total energy: -966.449532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.449532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.449532 (E_RNA)
where:
Base-Base interactions energy: -668.616
where: short stacking energy: -280.696
Base-Backbone interact. energy: -3.321
local terms energy: -294.511750
where:
bonds (distance) C4'-P energy: -59.941
bonds (distance) P-C4' energy: -58.344
flat angles C4'-P-C4' energy: -58.302
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -72.358
Dist. restrs. and SS energy: 0.000 (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: 31
Temperature: 1.000000
Total energy: -908.271015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.271015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.271015 (E_RNA)
where:
Base-Base interactions energy: -593.594
where: short stacking energy: -285.929
Base-Backbone interact. energy: -1.344
local terms energy: -313.333979
where:
bonds (distance) C4'-P energy: -66.105
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -64.468
flat angles P-C4'-P energy: -41.428
tors. eta vs tors. theta energy: -87.635
Dist. restrs. and SS energy: 0.000 (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: 31
Temperature: 1.050000
Total energy: -818.339816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.339816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.339816 (E_RNA)
where:
Base-Base interactions energy: -537.604
where: short stacking energy: -257.037
Base-Backbone interact. energy: -0.259
local terms energy: -280.477038
where:
bonds (distance) C4'-P energy: -56.000
bonds (distance) P-C4' energy: -64.327
flat angles C4'-P-C4' energy: -61.575
flat angles P-C4'-P energy: -35.750
tors. eta vs tors. theta energy: -62.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -707.080414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.080414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.080414 (E_RNA)
where:
Base-Base interactions energy: -450.941
where: short stacking energy: -234.688
Base-Backbone interact. energy: 0.863
local terms energy: -257.001941
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -45.394
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -43.404
tors. eta vs tors. theta energy: -56.028
Dist. restrs. and SS energy: 0.000 (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: 31
Temperature: 1.150000
Total energy: -671.724931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.724931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.724931 (E_RNA)
where:
Base-Base interactions energy: -426.236
where: short stacking energy: -223.829
Base-Backbone interact. energy: -1.898
local terms energy: -243.591427
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -58.166
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -43.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -524.816616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.816616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.816616 (E_RNA)
where:
Base-Base interactions energy: -321.306
where: short stacking energy: -177.865
Base-Backbone interact. energy: 1.994
local terms energy: -205.504730
where:
bonds (distance) C4'-P energy: -48.559
bonds (distance) P-C4' energy: -47.885
flat angles C4'-P-C4' energy: -56.326
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -27.926
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: 8, replica: 4
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -502.433338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.433338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.433338 (E_RNA)
where:
Base-Base interactions energy: -307.987
where: short stacking energy: -162.250
Base-Backbone interact. energy: 0.660
local terms energy: -195.106421
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -39.441
flat angles C4'-P-C4' energy: -35.836
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -36.018
Dist. restrs. and SS energy: 0.000 (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: 31
Temperature: 1.300000
Total energy: -388.220648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.220648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.220648 (E_RNA)
where:
Base-Base interactions energy: -181.525
where: short stacking energy: -121.337
Base-Backbone interact. energy: -1.814
local terms energy: -204.881093
where:
bonds (distance) C4'-P energy: -57.131
bonds (distance) P-C4' energy: -55.442
flat angles C4'-P-C4' energy: -52.385
flat angles P-C4'-P energy: -32.754
tors. eta vs tors. theta energy: -7.169
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: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -259.177393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.177393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.177393 (E_RNA)
where:
Base-Base interactions energy: -104.268
where: short stacking energy: -76.039
Base-Backbone interact. energy: 0.099
local terms energy: -155.008339
where:
bonds (distance) C4'-P energy: -53.247
bonds (distance) P-C4' energy: -60.640
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: 10.659
Dist. restrs. and SS energy: 0.000 (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: 32
Temperature: 0.900000
Total energy: -979.926111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.926111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.926111 (E_RNA)
where:
Base-Base interactions energy: -676.814
where: short stacking energy: -276.279
Base-Backbone interact. energy: -1.970
local terms energy: -301.141846
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -59.018
flat angles C4'-P-C4' energy: -65.567
flat angles P-C4'-P energy: -54.186
tors. eta vs tors. theta energy: -69.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -929.325251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.325251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.325251 (E_RNA)
where:
Base-Base interactions energy: -632.759
where: short stacking energy: -260.060
Base-Backbone interact. energy: -1.520
local terms energy: -295.046303
where:
bonds (distance) C4'-P energy: -61.350
bonds (distance) P-C4' energy: -61.290
flat angles C4'-P-C4' energy: -61.696
flat angles P-C4'-P energy: -41.519
tors. eta vs tors. theta energy: -69.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -943.740112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.740112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.740112 (E_RNA)
where:
Base-Base interactions energy: -636.217
where: short stacking energy: -282.622
Base-Backbone interact. energy: -0.340
local terms energy: -307.182814
where:
bonds (distance) C4'-P energy: -62.750
bonds (distance) P-C4' energy: -48.869
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -49.064
tors. eta vs tors. theta energy: -87.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -828.488317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.488317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.488317 (E_RNA)
where:
Base-Base interactions energy: -542.154
where: short stacking energy: -262.108
Base-Backbone interact. energy: -0.556
local terms energy: -285.778824
where:
bonds (distance) C4'-P energy: -57.908
bonds (distance) P-C4' energy: -56.754
flat angles C4'-P-C4' energy: -62.299
flat angles P-C4'-P energy: -48.824
tors. eta vs tors. theta energy: -59.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -679.529961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.529961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.529961 (E_RNA)
where:
Base-Base interactions energy: -433.342
where: short stacking energy: -218.756
Base-Backbone interact. energy: -0.109
local terms energy: -246.079560
where:
bonds (distance) C4'-P energy: -48.693
bonds (distance) P-C4' energy: -49.507
flat angles C4'-P-C4' energy: -57.203
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -53.939
Dist. restrs. and SS energy: 0.000 (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: 32
Temperature: 1.150000
Total energy: -671.477798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.477798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.477798 (E_RNA)
where:
Base-Base interactions energy: -413.457
where: short stacking energy: -209.235
Base-Backbone interact. energy: -1.852
local terms energy: -256.167947
where:
bonds (distance) C4'-P energy: -49.870
bonds (distance) P-C4' energy: -57.771
flat angles C4'-P-C4' energy: -61.974
flat angles P-C4'-P energy: -36.625
tors. eta vs tors. theta energy: -49.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -501.887907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.887907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.887907 (E_RNA)
where:
Base-Base interactions energy: -323.343
where: short stacking energy: -140.661
Base-Backbone interact. energy: 0.319
local terms energy: -178.863532
where:
bonds (distance) C4'-P energy: -50.830
bonds (distance) P-C4' energy: -47.984
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -23.222
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -534.879072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.879072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.879072 (E_RNA)
where:
Base-Base interactions energy: -325.084
where: short stacking energy: -170.865
Base-Backbone interact. energy: -0.091
local terms energy: -209.703539
where:
bonds (distance) C4'-P energy: -48.759
bonds (distance) P-C4' energy: -55.345
flat angles C4'-P-C4' energy: -49.651
flat angles P-C4'-P energy: -26.445
tors. eta vs tors. theta energy: -29.503
Dist. restrs. and SS energy: 0.000 (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: 32
Temperature: 1.300000
Total energy: -381.593583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.593583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.593583 (E_RNA)
where:
Base-Base interactions energy: -185.169
where: short stacking energy: -114.661
Base-Backbone interact. energy: -1.412
local terms energy: -195.012173
where:
bonds (distance) C4'-P energy: -51.591
bonds (distance) P-C4' energy: -55.866
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -11.497
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: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -279.652984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.652984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.652984 (E_RNA)
where:
Base-Base interactions energy: -117.626
where: short stacking energy: -82.570
Base-Backbone interact. energy: -1.862
local terms energy: -160.165514
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -56.028
flat angles C4'-P-C4' energy: -51.237
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: 5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -971.048518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.048518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.048518 (E_RNA)
where:
Base-Base interactions energy: -665.966
where: short stacking energy: -286.413
Base-Backbone interact. energy: -4.273
local terms energy: -300.809157
where:
bonds (distance) C4'-P energy: -55.823
bonds (distance) P-C4' energy: -58.223
flat angles C4'-P-C4' energy: -63.324
flat angles P-C4'-P energy: -45.905
tors. eta vs tors. theta energy: -77.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -919.216991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.216991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.216991 (E_RNA)
where:
Base-Base interactions energy: -630.449
where: short stacking energy: -264.641
Base-Backbone interact. energy: -0.664
local terms energy: -288.104347
where:
bonds (distance) C4'-P energy: -57.401
bonds (distance) P-C4' energy: -62.101
flat angles C4'-P-C4' energy: -63.777
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -62.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -931.552604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.552604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.552604 (E_RNA)
where:
Base-Base interactions energy: -606.947
where: short stacking energy: -270.770
Base-Backbone interact. energy: -0.916
local terms energy: -323.689178
where:
bonds (distance) C4'-P energy: -62.125
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -68.387
flat angles P-C4'-P energy: -51.405
tors. eta vs tors. theta energy: -82.942
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: 4, replica: 1
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -821.876819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.876819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.876819 (E_RNA)
where:
Base-Base interactions energy: -538.748
where: short stacking energy: -263.441
Base-Backbone interact. energy: -0.761
local terms energy: -282.368095
where:
bonds (distance) C4'-P energy: -55.981
bonds (distance) P-C4' energy: -53.322
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -45.993
tors. eta vs tors. theta energy: -74.592
Dist. restrs. and SS energy: 0.000 (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: 33
Temperature: 1.100000
Total energy: -714.591644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.591644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.591644 (E_RNA)
where:
Base-Base interactions energy: -464.129
where: short stacking energy: -216.126
Base-Backbone interact. energy: -1.163
local terms energy: -249.299469
where:
bonds (distance) C4'-P energy: -59.092
bonds (distance) P-C4' energy: -51.857
flat angles C4'-P-C4' energy: -53.608
flat angles P-C4'-P energy: -38.107
tors. eta vs tors. theta energy: -46.635
Dist. restrs. and SS energy: 0.000 (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: 33
Temperature: 1.150000
Total energy: -672.084101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.084101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.084101 (E_RNA)
where:
Base-Base interactions energy: -441.825
where: short stacking energy: -225.349
Base-Backbone interact. energy: -0.580
local terms energy: -229.678899
where:
bonds (distance) C4'-P energy: -28.219
bonds (distance) P-C4' energy: -61.010
flat angles C4'-P-C4' energy: -43.429
flat angles P-C4'-P energy: -46.802
tors. eta vs tors. theta energy: -50.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -517.046788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.046788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.046788 (E_RNA)
where:
Base-Base interactions energy: -302.280
where: short stacking energy: -157.294
Base-Backbone interact. energy: 3.970
local terms energy: -218.737527
where:
bonds (distance) C4'-P energy: -48.220
bonds (distance) P-C4' energy: -60.767
flat angles C4'-P-C4' energy: -42.573
flat angles P-C4'-P energy: -37.635
tors. eta vs tors. theta energy: -29.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -540.595850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.595850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.595850 (E_RNA)
where:
Base-Base interactions energy: -306.723
where: short stacking energy: -165.481
Base-Backbone interact. energy: -1.493
local terms energy: -232.379259
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -57.312
flat angles C4'-P-C4' energy: -48.752
flat angles P-C4'-P energy: -40.922
tors. eta vs tors. theta energy: -29.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -373.566336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.566336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.566336 (E_RNA)
where:
Base-Base interactions energy: -185.063
where: short stacking energy: -119.149
Base-Backbone interact. energy: -0.675
local terms energy: -187.828249
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -50.445
flat angles C4'-P-C4' energy: -41.980
flat angles P-C4'-P energy: -28.580
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (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: 33
Temperature: 1.350000
Total energy: -248.319670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.319670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.319670 (E_RNA)
where:
Base-Base interactions energy: -88.425
where: short stacking energy: -77.241
Base-Backbone interact. energy: 3.404
local terms energy: -163.299200
where:
bonds (distance) C4'-P energy: -45.391
bonds (distance) P-C4' energy: -40.671
flat angles C4'-P-C4' energy: -47.775
flat angles P-C4'-P energy: -21.248
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -977.287538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.287538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.287538 (E_RNA)
where:
Base-Base interactions energy: -669.177
where: short stacking energy: -276.678
Base-Backbone interact. energy: -1.822
local terms energy: -306.287883
where:
bonds (distance) C4'-P energy: -58.215
bonds (distance) P-C4' energy: -60.900
flat angles C4'-P-C4' energy: -63.559
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -74.280
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: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -939.098821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.098821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.098821 (E_RNA)
where:
Base-Base interactions energy: -649.062
where: short stacking energy: -276.073
Base-Backbone interact. energy: -0.250
local terms energy: -289.787377
where:
bonds (distance) C4'-P energy: -57.444
bonds (distance) P-C4' energy: -52.616
flat angles C4'-P-C4' energy: -62.729
flat angles P-C4'-P energy: -46.284
tors. eta vs tors. theta energy: -70.715
Dist. restrs. and SS energy: 0.000 (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: 34
Temperature: 1.000000
Total energy: -934.077636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.077636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.077636 (E_RNA)
where:
Base-Base interactions energy: -633.422
where: short stacking energy: -300.995
Base-Backbone interact. energy: 0.840
local terms energy: -301.495952
where:
bonds (distance) C4'-P energy: -54.284
bonds (distance) P-C4' energy: -46.018
flat angles C4'-P-C4' energy: -67.566
flat angles P-C4'-P energy: -51.456
tors. eta vs tors. theta energy: -82.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -824.571782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.571782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.571782 (E_RNA)
where:
Base-Base interactions energy: -533.800
where: short stacking energy: -249.238
Base-Backbone interact. energy: -0.737
local terms energy: -290.034801
where:
bonds (distance) C4'-P energy: -63.490
bonds (distance) P-C4' energy: -60.278
flat angles C4'-P-C4' energy: -61.562
flat angles P-C4'-P energy: -36.486
tors. eta vs tors. theta energy: -68.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -714.985093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.985093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.985093 (E_RNA)
where:
Base-Base interactions energy: -439.758
where: short stacking energy: -227.257
Base-Backbone interact. energy: -1.132
local terms energy: -274.094450
where:
bonds (distance) C4'-P energy: -56.606
bonds (distance) P-C4' energy: -62.353
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -56.137
Dist. restrs. and SS energy: 0.000 (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: 34
Temperature: 1.150000
Total energy: -685.067645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.067645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.067645 (E_RNA)
where:
Base-Base interactions energy: -442.452
where: short stacking energy: -188.308
Base-Backbone interact. energy: 0.471
local terms energy: -243.087141
where:
bonds (distance) C4'-P energy: -58.728
bonds (distance) P-C4' energy: -42.350
flat angles C4'-P-C4' energy: -65.081
flat angles P-C4'-P energy: -40.646
tors. eta vs tors. theta energy: -36.282
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: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -554.191397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.191397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.191397 (E_RNA)
where:
Base-Base interactions energy: -334.115
where: short stacking energy: -157.805
Base-Backbone interact. energy: 0.481
local terms energy: -220.557312
where:
bonds (distance) C4'-P energy: -43.611
bonds (distance) P-C4' energy: -65.551
flat angles C4'-P-C4' energy: -53.837
flat angles P-C4'-P energy: -29.371
tors. eta vs tors. theta energy: -28.187
Dist. restrs. and SS energy: 0.000 (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: 34
Temperature: 1.250000
Total energy: -493.344208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.344208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.344208 (E_RNA)
where:
Base-Base interactions energy: -285.460
where: short stacking energy: -145.058
Base-Backbone interact. energy: -0.387
local terms energy: -207.497247
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -57.145
flat angles C4'-P-C4' energy: -47.806
flat angles P-C4'-P energy: -31.788
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (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: 34
Temperature: 1.300000
Total energy: -376.231910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.231910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.231910 (E_RNA)
where:
Base-Base interactions energy: -198.546
where: short stacking energy: -127.608
Base-Backbone interact. energy: -0.114
local terms energy: -177.572316
where:
bonds (distance) C4'-P energy: -37.966
bonds (distance) P-C4' energy: -52.896
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -28.346
tors. eta vs tors. theta energy: -14.285
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: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -370.828861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.828861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.828861 (E_RNA)
where:
Base-Base interactions energy: -201.613
where: short stacking energy: -111.777
Base-Backbone interact. energy: 8.550
local terms energy: -177.766673
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -57.124
flat angles C4'-P-C4' energy: -43.271
flat angles P-C4'-P energy: -25.928
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (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: 35
Temperature: 0.900000
Total energy: -984.255253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.255253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.255253 (E_RNA)
where:
Base-Base interactions energy: -669.396
where: short stacking energy: -281.579
Base-Backbone interact. energy: -0.009
local terms energy: -314.849988
where:
bonds (distance) C4'-P energy: -66.302
bonds (distance) P-C4' energy: -60.095
flat angles C4'-P-C4' energy: -71.095
flat angles P-C4'-P energy: -42.188
tors. eta vs tors. theta energy: -75.170
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: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -949.493953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.493953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.493953 (E_RNA)
where:
Base-Base interactions energy: -638.456
where: short stacking energy: -311.724
Base-Backbone interact. energy: -0.157
local terms energy: -310.881412
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -61.579
flat angles C4'-P-C4' energy: -65.655
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: -89.893
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: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -903.330984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.330984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.330984 (E_RNA)
where:
Base-Base interactions energy: -629.659
where: short stacking energy: -264.811
Base-Backbone interact. energy: -3.222
local terms energy: -270.449618
where:
bonds (distance) C4'-P energy: -42.620
bonds (distance) P-C4' energy: -62.050
flat angles C4'-P-C4' energy: -64.981
flat angles P-C4'-P energy: -35.499
tors. eta vs tors. theta energy: -65.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -823.586895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.586895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.586895 (E_RNA)
where:
Base-Base interactions energy: -524.213
where: short stacking energy: -251.176
Base-Backbone interact. energy: -0.279
local terms energy: -299.094581
where:
bonds (distance) C4'-P energy: -59.803
bonds (distance) P-C4' energy: -65.407
flat angles C4'-P-C4' energy: -66.610
flat angles P-C4'-P energy: -38.521
tors. eta vs tors. theta energy: -68.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -727.581015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.581015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.581015 (E_RNA)
where:
Base-Base interactions energy: -459.496
where: short stacking energy: -236.549
Base-Backbone interact. energy: -1.462
local terms energy: -266.622130
where:
bonds (distance) C4'-P energy: -58.516
bonds (distance) P-C4' energy: -50.793
flat angles C4'-P-C4' energy: -64.047
flat angles P-C4'-P energy: -33.021
tors. eta vs tors. theta energy: -60.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -656.485126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.485126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.485126 (E_RNA)
where:
Base-Base interactions energy: -425.229
where: short stacking energy: -206.299
Base-Backbone interact. energy: 10.789
local terms energy: -242.045021
where:
bonds (distance) C4'-P energy: -49.676
bonds (distance) P-C4' energy: -54.878
flat angles C4'-P-C4' energy: -62.751
flat angles P-C4'-P energy: -34.634
tors. eta vs tors. theta energy: -40.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -575.247115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.247115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.247115 (E_RNA)
where:
Base-Base interactions energy: -340.612
where: short stacking energy: -174.613
Base-Backbone interact. energy: 0.276
local terms energy: -234.910848
where:
bonds (distance) C4'-P energy: -50.000
bonds (distance) P-C4' energy: -56.635
flat angles C4'-P-C4' energy: -51.032
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -40.720
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: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -509.448239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.448239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.448239 (E_RNA)
where:
Base-Base interactions energy: -300.560
where: short stacking energy: -179.778
Base-Backbone interact. energy: 2.158
local terms energy: -211.045369
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -57.285
flat angles C4'-P-C4' energy: -45.895
flat angles P-C4'-P energy: -32.387
tors. eta vs tors. theta energy: -34.645
Dist. restrs. and SS energy: 0.000 (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: 35
Temperature: 1.300000
Total energy: -393.452415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.452415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.452415 (E_RNA)
where:
Base-Base interactions energy: -220.532
where: short stacking energy: -118.490
Base-Backbone interact. energy: 4.023
local terms energy: -176.944024
where:
bonds (distance) C4'-P energy: -45.851
bonds (distance) P-C4' energy: -50.653
flat angles C4'-P-C4' energy: -43.055
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -13.160
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: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -338.712649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.712649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.712649 (E_RNA)
where:
Base-Base interactions energy: -163.083
where: short stacking energy: -89.660
Base-Backbone interact. energy: -0.330
local terms energy: -175.299289
where:
bonds (distance) C4'-P energy: -52.274
bonds (distance) P-C4' energy: -50.665
flat angles C4'-P-C4' energy: -43.831
flat angles P-C4'-P energy: -24.041
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (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: 36
Temperature: 0.900000
Total energy: -989.046108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.046108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.046108 (E_RNA)
where:
Base-Base interactions energy: -673.295
where: short stacking energy: -275.621
Base-Backbone interact. energy: -2.779
local terms energy: -312.972564
where:
bonds (distance) C4'-P energy: -61.391
bonds (distance) P-C4' energy: -56.220
flat angles C4'-P-C4' energy: -61.178
flat angles P-C4'-P energy: -55.970
tors. eta vs tors. theta energy: -78.214
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: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -944.064771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.064771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.064771 (E_RNA)
where:
Base-Base interactions energy: -627.648
where: short stacking energy: -292.177
Base-Backbone interact. energy: -0.622
local terms energy: -315.795193
where:
bonds (distance) C4'-P energy: -55.402
bonds (distance) P-C4' energy: -52.736
flat angles C4'-P-C4' energy: -76.258
flat angles P-C4'-P energy: -46.315
tors. eta vs tors. theta energy: -85.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -905.759635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.759635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.759635 (E_RNA)
where:
Base-Base interactions energy: -611.108
where: short stacking energy: -262.250
Base-Backbone interact. energy: 1.447
local terms energy: -296.098936
where:
bonds (distance) C4'-P energy: -61.124
bonds (distance) P-C4' energy: -61.074
flat angles C4'-P-C4' energy: -63.719
flat angles P-C4'-P energy: -39.051
tors. eta vs tors. theta energy: -71.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -820.551842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.551842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.551842 (E_RNA)
where:
Base-Base interactions energy: -536.029
where: short stacking energy: -247.431
Base-Backbone interact. energy: -0.422
local terms energy: -284.101670
where:
bonds (distance) C4'-P energy: -56.563
bonds (distance) P-C4' energy: -58.446
flat angles C4'-P-C4' energy: -61.857
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: -67.773
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: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -759.438355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.438355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.438355 (E_RNA)
where:
Base-Base interactions energy: -504.381
where: short stacking energy: -233.550
Base-Backbone interact. energy: -0.385
local terms energy: -254.672329
where:
bonds (distance) C4'-P energy: -58.975
bonds (distance) P-C4' energy: -44.948
flat angles C4'-P-C4' energy: -52.654
flat angles P-C4'-P energy: -36.285
tors. eta vs tors. theta energy: -61.810
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: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -648.048365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.048365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.048365 (E_RNA)
where:
Base-Base interactions energy: -422.716
where: short stacking energy: -208.306
Base-Backbone interact. energy: -1.025
local terms energy: -224.307663
where:
bonds (distance) C4'-P energy: -49.762
bonds (distance) P-C4' energy: -47.647
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -43.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -570.601051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.601051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.601051 (E_RNA)
where:
Base-Base interactions energy: -350.836
where: short stacking energy: -177.153
Base-Backbone interact. energy: -0.560
local terms energy: -219.204769
where:
bonds (distance) C4'-P energy: -38.370
bonds (distance) P-C4' energy: -55.346
flat angles C4'-P-C4' energy: -58.521
flat angles P-C4'-P energy: -32.994
tors. eta vs tors. theta energy: -33.973
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: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -505.493290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.493290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.493290 (E_RNA)
where:
Base-Base interactions energy: -287.754
where: short stacking energy: -156.177
Base-Backbone interact. energy: 0.087
local terms energy: -217.825628
where:
bonds (distance) C4'-P energy: -50.562
bonds (distance) P-C4' energy: -51.076
flat angles C4'-P-C4' energy: -54.472
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: -26.887
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: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -398.786402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.786402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.786402 (E_RNA)
where:
Base-Base interactions energy: -208.811
where: short stacking energy: -120.463
Base-Backbone interact. energy: -1.273
local terms energy: -188.702149
where:
bonds (distance) C4'-P energy: -48.961
bonds (distance) P-C4' energy: -43.939
flat angles C4'-P-C4' energy: -45.451
flat angles P-C4'-P energy: -33.247
tors. eta vs tors. theta energy: -17.104
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: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -355.871032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.871032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.871032 (E_RNA)
where:
Base-Base interactions energy: -180.618
where: short stacking energy: -110.371
Base-Backbone interact. energy: -0.224
local terms energy: -175.029158
where:
bonds (distance) C4'-P energy: -59.173
bonds (distance) P-C4' energy: -44.580
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -960.103710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.103710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.103710 (E_RNA)
where:
Base-Base interactions energy: -653.074
where: short stacking energy: -269.161
Base-Backbone interact. energy: -1.226
local terms energy: -305.804109
where:
bonds (distance) C4'-P energy: -53.667
bonds (distance) P-C4' energy: -71.168
flat angles C4'-P-C4' energy: -60.942
flat angles P-C4'-P energy: -44.749
tors. eta vs tors. theta energy: -75.278
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -907.904466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.904466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.904466 (E_RNA)
where:
Base-Base interactions energy: -598.347
where: short stacking energy: -260.164
Base-Backbone interact. energy: 0.295
local terms energy: -309.852438
where:
bonds (distance) C4'-P energy: -63.947
bonds (distance) P-C4' energy: -63.309
flat angles C4'-P-C4' energy: -63.893
flat angles P-C4'-P energy: -46.956
tors. eta vs tors. theta energy: -71.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -938.156250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.156250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.156250 (E_RNA)
where:
Base-Base interactions energy: -626.768
where: short stacking energy: -286.959
Base-Backbone interact. energy: -1.108
local terms energy: -310.280590
where:
bonds (distance) C4'-P energy: -54.641
bonds (distance) P-C4' energy: -57.388
flat angles C4'-P-C4' energy: -73.040
flat angles P-C4'-P energy: -38.501
tors. eta vs tors. theta energy: -86.711
Dist. restrs. and SS energy: 0.000 (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: 37
Temperature: 1.050000
Total energy: -845.239958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.239958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.239958 (E_RNA)
where:
Base-Base interactions energy: -559.536
where: short stacking energy: -257.025
Base-Backbone interact. energy: -0.163
local terms energy: -285.541264
where:
bonds (distance) C4'-P energy: -61.305
bonds (distance) P-C4' energy: -58.416
flat angles C4'-P-C4' energy: -67.111
flat angles P-C4'-P energy: -36.620
tors. eta vs tors. theta energy: -62.089
Dist. restrs. and SS energy: 0.000 (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: 37
Temperature: 1.100000
Total energy: -832.781720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.781720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.781720 (E_RNA)
where:
Base-Base interactions energy: -552.085
where: short stacking energy: -246.646
Base-Backbone interact. energy: -0.958
local terms energy: -279.738882
where:
bonds (distance) C4'-P energy: -49.605
bonds (distance) P-C4' energy: -59.443
flat angles C4'-P-C4' energy: -66.589
flat angles P-C4'-P energy: -39.863
tors. eta vs tors. theta energy: -64.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -619.150180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.150180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.150180 (E_RNA)
where:
Base-Base interactions energy: -379.977
where: short stacking energy: -182.091
Base-Backbone interact. energy: -1.144
local terms energy: -238.029114
where:
bonds (distance) C4'-P energy: -54.469
bonds (distance) P-C4' energy: -55.469
flat angles C4'-P-C4' energy: -60.460
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -25.927
Dist. restrs. and SS energy: 0.000 (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: 37
Temperature: 1.200000
Total energy: -541.239506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.239506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.239506 (E_RNA)
where:
Base-Base interactions energy: -331.473
where: short stacking energy: -145.197
Base-Backbone interact. energy: -0.231
local terms energy: -209.535073
where:
bonds (distance) C4'-P energy: -53.686
bonds (distance) P-C4' energy: -50.528
flat angles C4'-P-C4' energy: -43.261
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -28.127
Dist. restrs. and SS energy: 0.000 (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: 37
Temperature: 1.250000
Total energy: -494.851603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.851603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.851603 (E_RNA)
where:
Base-Base interactions energy: -302.420
where: short stacking energy: -172.154
Base-Backbone interact. energy: 3.545
local terms energy: -195.976908
where:
bonds (distance) C4'-P energy: -43.401
bonds (distance) P-C4' energy: -51.142
flat angles C4'-P-C4' energy: -44.286
flat angles P-C4'-P energy: -26.216
tors. eta vs tors. theta energy: -30.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -355.925013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.925013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.925013 (E_RNA)
where:
Base-Base interactions energy: -163.891
where: short stacking energy: -97.922
Base-Backbone interact. energy: 5.337
local terms energy: -197.370156
where:
bonds (distance) C4'-P energy: -49.395
bonds (distance) P-C4' energy: -56.185
flat angles C4'-P-C4' energy: -57.581
flat angles P-C4'-P energy: -26.116
tors. eta vs tors. theta energy: -8.093
Dist. restrs. and SS energy: 0.000 (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: 37
Temperature: 1.350000
Total energy: -349.833254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.833254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.833254 (E_RNA)
where:
Base-Base interactions energy: -178.044
where: short stacking energy: -97.359
Base-Backbone interact. energy: 0.517
local terms energy: -172.305924
where:
bonds (distance) C4'-P energy: -55.209
bonds (distance) P-C4' energy: -51.456
flat angles C4'-P-C4' energy: -39.525
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: -0.420
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: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -960.173389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.173389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.173389 (E_RNA)
where:
Base-Base interactions energy: -673.561
where: short stacking energy: -269.284
Base-Backbone interact. energy: -1.271
local terms energy: -285.341138
where:
bonds (distance) C4'-P energy: -56.115
bonds (distance) P-C4' energy: -66.413
flat angles C4'-P-C4' energy: -60.840
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -65.010
Dist. restrs. and SS energy: 0.000 (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: 38
Temperature: 0.950000
Total energy: -943.211428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.211428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.211428 (E_RNA)
where:
Base-Base interactions energy: -640.058
where: short stacking energy: -268.331
Base-Backbone interact. energy: 2.471
local terms energy: -305.624348
where:
bonds (distance) C4'-P energy: -54.047
bonds (distance) P-C4' energy: -61.738
flat angles C4'-P-C4' energy: -70.136
flat angles P-C4'-P energy: -48.077
tors. eta vs tors. theta energy: -71.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -926.253986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.253986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.253986 (E_RNA)
where:
Base-Base interactions energy: -625.101
where: short stacking energy: -297.284
Base-Backbone interact. energy: 1.615
local terms energy: -302.768494
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -64.787
flat angles C4'-P-C4' energy: -65.201
flat angles P-C4'-P energy: -49.010
tors. eta vs tors. theta energy: -81.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -812.262448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.262448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.262448 (E_RNA)
where:
Base-Base interactions energy: -535.968
where: short stacking energy: -246.974
Base-Backbone interact. energy: -1.013
local terms energy: -275.281625
where:
bonds (distance) C4'-P energy: -50.688
bonds (distance) P-C4' energy: -55.573
flat angles C4'-P-C4' energy: -61.915
flat angles P-C4'-P energy: -41.855
tors. eta vs tors. theta energy: -65.251
Dist. restrs. and SS energy: 0.000 (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: 38
Temperature: 1.100000
Total energy: -846.533805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.533805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.533805 (E_RNA)
where:
Base-Base interactions energy: -562.853
where: short stacking energy: -263.589
Base-Backbone interact. energy: -0.065
local terms energy: -283.615291
where:
bonds (distance) C4'-P energy: -50.222
bonds (distance) P-C4' energy: -58.248
flat angles C4'-P-C4' energy: -60.665
flat angles P-C4'-P energy: -44.469
tors. eta vs tors. theta energy: -70.010
Dist. restrs. and SS energy: 0.000 (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: 38
Temperature: 1.150000
Total energy: -609.497864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.497864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.497864 (E_RNA)
where:
Base-Base interactions energy: -380.127
where: short stacking energy: -185.565
Base-Backbone interact. energy: -0.748
local terms energy: -228.622833
where:
bonds (distance) C4'-P energy: -49.090
bonds (distance) P-C4' energy: -59.092
flat angles C4'-P-C4' energy: -45.773
flat angles P-C4'-P energy: -42.194
tors. eta vs tors. theta energy: -32.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -538.102825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.102825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.102825 (E_RNA)
where:
Base-Base interactions energy: -334.441
where: short stacking energy: -177.971
Base-Backbone interact. energy: 4.434
local terms energy: -208.096380
where:
bonds (distance) C4'-P energy: -47.575
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -55.584
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -30.027
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: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -526.512789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.512789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.512789 (E_RNA)
where:
Base-Base interactions energy: -314.337
where: short stacking energy: -175.148
Base-Backbone interact. energy: -0.547
local terms energy: -211.628133
where:
bonds (distance) C4'-P energy: -52.596
bonds (distance) P-C4' energy: -51.468
flat angles C4'-P-C4' energy: -50.023
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -27.423
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: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -380.411905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.411905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.411905 (E_RNA)
where:
Base-Base interactions energy: -182.471
where: short stacking energy: -120.163
Base-Backbone interact. energy: -0.843
local terms energy: -197.097241
where:
bonds (distance) C4'-P energy: -43.276
bonds (distance) P-C4' energy: -62.769
flat angles C4'-P-C4' energy: -50.709
flat angles P-C4'-P energy: -34.125
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -332.837171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.837171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.837171 (E_RNA)
where:
Base-Base interactions energy: -158.709
where: short stacking energy: -77.022
Base-Backbone interact. energy: 0.419
local terms energy: -174.546966
where:
bonds (distance) C4'-P energy: -50.248
bonds (distance) P-C4' energy: -60.247
flat angles C4'-P-C4' energy: -49.422
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: 10.730
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: 1, replica: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -970.553726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.553726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.553726 (E_RNA)
where:
Base-Base interactions energy: -674.473
where: short stacking energy: -266.860
Base-Backbone interact. energy: -1.295
local terms energy: -294.785559
where:
bonds (distance) C4'-P energy: -59.919
bonds (distance) P-C4' energy: -61.092
flat angles C4'-P-C4' energy: -59.685
flat angles P-C4'-P energy: -51.448
tors. eta vs tors. theta energy: -62.642
Dist. restrs. and SS energy: 0.000 (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: 39
Temperature: 0.950000
Total energy: -980.490018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.490018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.490018 (E_RNA)
where:
Base-Base interactions energy: -675.824
where: short stacking energy: -281.527
Base-Backbone interact. energy: -2.545
local terms energy: -302.121385
where:
bonds (distance) C4'-P energy: -56.325
bonds (distance) P-C4' energy: -64.076
flat angles C4'-P-C4' energy: -66.368
flat angles P-C4'-P energy: -39.180
tors. eta vs tors. theta energy: -76.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -910.233093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.233093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.233093 (E_RNA)
where:
Base-Base interactions energy: -613.409
where: short stacking energy: -285.259
Base-Backbone interact. energy: -0.853
local terms energy: -295.970778
where:
bonds (distance) C4'-P energy: -59.775
bonds (distance) P-C4' energy: -57.195
flat angles C4'-P-C4' energy: -63.032
flat angles P-C4'-P energy: -36.751
tors. eta vs tors. theta energy: -79.217
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: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -893.710606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.710606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.710606 (E_RNA)
where:
Base-Base interactions energy: -598.756
where: short stacking energy: -267.033
Base-Backbone interact. energy: -0.232
local terms energy: -294.722416
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -64.727
flat angles C4'-P-C4' energy: -61.773
flat angles P-C4'-P energy: -39.048
tors. eta vs tors. theta energy: -78.301
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: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -764.240188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.240188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.240188 (E_RNA)
where:
Base-Base interactions energy: -489.364
where: short stacking energy: -239.512
Base-Backbone interact. energy: -1.792
local terms energy: -273.084049
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -53.910
flat angles C4'-P-C4' energy: -60.202
flat angles P-C4'-P energy: -43.214
tors. eta vs tors. theta energy: -58.088
Dist. restrs. and SS energy: 0.000 (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: 39
Temperature: 1.150000
Total energy: -631.533341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.533341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.533341 (E_RNA)
where:
Base-Base interactions energy: -395.589
where: short stacking energy: -172.267
Base-Backbone interact. energy: -2.422
local terms energy: -233.522125
where:
bonds (distance) C4'-P energy: -53.772
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -60.877
flat angles P-C4'-P energy: -29.209
tors. eta vs tors. theta energy: -33.277
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: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -525.466891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.466891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.466891 (E_RNA)
where:
Base-Base interactions energy: -320.797
where: short stacking energy: -162.733
Base-Backbone interact. energy: -3.106
local terms energy: -201.563511
where:
bonds (distance) C4'-P energy: -49.718
bonds (distance) P-C4' energy: -46.294
flat angles C4'-P-C4' energy: -47.155
flat angles P-C4'-P energy: -35.429
tors. eta vs tors. theta energy: -22.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -443.791315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.791315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.791315 (E_RNA)
where:
Base-Base interactions energy: -239.346
where: short stacking energy: -133.733
Base-Backbone interact. energy: 0.610
local terms energy: -205.054675
where:
bonds (distance) C4'-P energy: -55.602
bonds (distance) P-C4' energy: -64.886
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -38.155
tors. eta vs tors. theta energy: -12.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -397.456924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.456924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.456924 (E_RNA)
where:
Base-Base interactions energy: -192.472
where: short stacking energy: -133.604
Base-Backbone interact. energy: -1.102
local terms energy: -203.882997
where:
bonds (distance) C4'-P energy: -50.154
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -51.589
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -23.417
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: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -339.227381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.227381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.227381 (E_RNA)
where:
Base-Base interactions energy: -158.368
where: short stacking energy: -85.503
Base-Backbone interact. energy: -1.940
local terms energy: -178.918914
where:
bonds (distance) C4'-P energy: -49.967
bonds (distance) P-C4' energy: -54.697
flat angles C4'-P-C4' energy: -50.267
flat angles P-C4'-P energy: -34.698
tors. eta vs tors. theta energy: 10.711
Dist. restrs. and SS energy: 0.000 (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: 40
Temperature: 0.900000
Total energy: -975.223789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.223789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.223789 (E_RNA)
where:
Base-Base interactions energy: -657.893
where: short stacking energy: -280.436
Base-Backbone interact. energy: -2.766
local terms energy: -314.564727
where:
bonds (distance) C4'-P energy: -59.353
bonds (distance) P-C4' energy: -68.900
flat angles C4'-P-C4' energy: -67.996
flat angles P-C4'-P energy: -43.340
tors. eta vs tors. theta energy: -74.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -967.330620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.330620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.330620 (E_RNA)
where:
Base-Base interactions energy: -682.369
where: short stacking energy: -278.853
Base-Backbone interact. energy: -0.532
local terms energy: -284.429922
where:
bonds (distance) C4'-P energy: -54.755
bonds (distance) P-C4' energy: -48.657
flat angles C4'-P-C4' energy: -63.961
flat angles P-C4'-P energy: -47.773
tors. eta vs tors. theta energy: -69.283
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: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -935.880720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.880720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.880720 (E_RNA)
where:
Base-Base interactions energy: -618.644
where: short stacking energy: -279.402
Base-Backbone interact. energy: -0.359
local terms energy: -316.878235
where:
bonds (distance) C4'-P energy: -63.577
bonds (distance) P-C4' energy: -56.212
flat angles C4'-P-C4' energy: -68.544
flat angles P-C4'-P energy: -41.629
tors. eta vs tors. theta energy: -86.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -885.208938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.208938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.208938 (E_RNA)
where:
Base-Base interactions energy: -582.442
where: short stacking energy: -275.963
Base-Backbone interact. energy: -1.299
local terms energy: -301.467774
where:
bonds (distance) C4'-P energy: -56.585
bonds (distance) P-C4' energy: -58.417
flat angles C4'-P-C4' energy: -63.267
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -82.852
Dist. restrs. and SS energy: 0.000 (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: 40
Temperature: 1.100000
Total energy: -748.375016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.375016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.375016 (E_RNA)
where:
Base-Base interactions energy: -504.922
where: short stacking energy: -220.972
Base-Backbone interact. energy: -2.055
local terms energy: -241.398248
where:
bonds (distance) C4'-P energy: -58.422
bonds (distance) P-C4' energy: -46.762
flat angles C4'-P-C4' energy: -56.865
flat angles P-C4'-P energy: -28.638
tors. eta vs tors. theta energy: -50.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -639.131846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.131846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.131846 (E_RNA)
where:
Base-Base interactions energy: -399.841
where: short stacking energy: -195.102
Base-Backbone interact. energy: 2.158
local terms energy: -241.449464
where:
bonds (distance) C4'-P energy: -58.485
bonds (distance) P-C4' energy: -57.797
flat angles C4'-P-C4' energy: -50.394
flat angles P-C4'-P energy: -32.112
tors. eta vs tors. theta energy: -42.662
Dist. restrs. and SS energy: 0.000 (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: 40
Temperature: 1.200000
Total energy: -558.368884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.368884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.368884 (E_RNA)
where:
Base-Base interactions energy: -354.750
where: short stacking energy: -164.512
Base-Backbone interact. energy: 2.648
local terms energy: -206.267310
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -54.998
flat angles C4'-P-C4' energy: -50.339
flat angles P-C4'-P energy: -31.270
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -397.820210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.820210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.820210 (E_RNA)
where:
Base-Base interactions energy: -202.627
where: short stacking energy: -107.442
Base-Backbone interact. energy: -0.547
local terms energy: -194.645884
where:
bonds (distance) C4'-P energy: -42.423
bonds (distance) P-C4' energy: -62.275
flat angles C4'-P-C4' energy: -50.385
flat angles P-C4'-P energy: -34.221
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -381.373997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.373997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.373997 (E_RNA)
where:
Base-Base interactions energy: -191.847
where: short stacking energy: -99.863
Base-Backbone interact. energy: -0.529
local terms energy: -188.998027
where:
bonds (distance) C4'-P energy: -55.584
bonds (distance) P-C4' energy: -57.596
flat angles C4'-P-C4' energy: -33.318
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -9.071
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: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -330.620703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.620703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.620703 (E_RNA)
where:
Base-Base interactions energy: -138.472
where: short stacking energy: -98.333
Base-Backbone interact. energy: -2.433
local terms energy: -189.715644
where:
bonds (distance) C4'-P energy: -55.645
bonds (distance) P-C4' energy: -46.637
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -30.465
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (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: 41
Temperature: 0.900000
Total energy: -983.894863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.894863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.894863 (E_RNA)
where:
Base-Base interactions energy: -686.313
where: short stacking energy: -279.379
Base-Backbone interact. energy: -3.341
local terms energy: -294.241178
where:
bonds (distance) C4'-P energy: -53.625
bonds (distance) P-C4' energy: -61.432
flat angles C4'-P-C4' energy: -65.239
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -71.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -963.176821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.176821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.176821 (E_RNA)
where:
Base-Base interactions energy: -647.206
where: short stacking energy: -305.492
Base-Backbone interact. energy: -0.341
local terms energy: -315.630014
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -65.517
flat angles C4'-P-C4' energy: -69.231
flat angles P-C4'-P energy: -42.494
tors. eta vs tors. theta energy: -86.413
Dist. restrs. and SS energy: 0.000 (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: 41
Temperature: 1.000000
Total energy: -940.234041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.234041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.234041 (E_RNA)
where:
Base-Base interactions energy: -639.299
where: short stacking energy: -258.660
Base-Backbone interact. energy: -1.122
local terms energy: -299.813060
where:
bonds (distance) C4'-P energy: -56.157
bonds (distance) P-C4' energy: -64.364
flat angles C4'-P-C4' energy: -60.511
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -73.846
Dist. restrs. and SS energy: 0.000 (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: 41
Temperature: 1.050000
Total energy: -897.720436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.720436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.720436 (E_RNA)
where:
Base-Base interactions energy: -600.255
where: short stacking energy: -304.934
Base-Backbone interact. energy: 1.722
local terms energy: -299.187301
where:
bonds (distance) C4'-P energy: -50.513
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -60.583
flat angles P-C4'-P energy: -43.623
tors. eta vs tors. theta energy: -87.944
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: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -778.399140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.399140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.399140 (E_RNA)
where:
Base-Base interactions energy: -515.104
where: short stacking energy: -217.712
Base-Backbone interact. energy: 0.295
local terms energy: -263.590104
where:
bonds (distance) C4'-P energy: -62.680
bonds (distance) P-C4' energy: -49.916
flat angles C4'-P-C4' energy: -60.564
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -52.465
Dist. restrs. and SS energy: 0.000 (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: 41
Temperature: 1.150000
Total energy: -684.089752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.089752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.089752 (E_RNA)
where:
Base-Base interactions energy: -455.325
where: short stacking energy: -223.063
Base-Backbone interact. energy: -0.251
local terms energy: -228.514291
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -42.727
flat angles C4'-P-C4' energy: -49.415
flat angles P-C4'-P energy: -37.635
tors. eta vs tors. theta energy: -49.363
Dist. restrs. and SS energy: 0.000 (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: 41
Temperature: 1.200000
Total energy: -607.908657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.908657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.908657 (E_RNA)
where:
Base-Base interactions energy: -373.547
where: short stacking energy: -194.040
Base-Backbone interact. energy: -1.680
local terms energy: -232.681249
where:
bonds (distance) C4'-P energy: -48.289
bonds (distance) P-C4' energy: -56.115
flat angles C4'-P-C4' energy: -50.421
flat angles P-C4'-P energy: -36.483
tors. eta vs tors. theta energy: -41.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -415.209858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.209858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.209858 (E_RNA)
where:
Base-Base interactions energy: -221.611
where: short stacking energy: -132.443
Base-Backbone interact. energy: 1.692
local terms energy: -195.289977
where:
bonds (distance) C4'-P energy: -51.181
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -51.359
flat angles P-C4'-P energy: -22.138
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -398.588983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.588983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.588983 (E_RNA)
where:
Base-Base interactions energy: -204.991
where: short stacking energy: -103.542
Base-Backbone interact. energy: 0.391
local terms energy: -193.989367
where:
bonds (distance) C4'-P energy: -51.188
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -328.022903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.022903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.022903 (E_RNA)
where:
Base-Base interactions energy: -157.239
where: short stacking energy: -89.134
Base-Backbone interact. energy: 0.044
local terms energy: -170.827971
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -60.516
flat angles C4'-P-C4' energy: -51.868
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1002.325981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.325981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.325981 (E_RNA)
where:
Base-Base interactions energy: -673.002
where: short stacking energy: -312.336
Base-Backbone interact. energy: -1.275
local terms energy: -328.049486
where:
bonds (distance) C4'-P energy: -58.479
bonds (distance) P-C4' energy: -53.433
flat angles C4'-P-C4' energy: -71.796
flat angles P-C4'-P energy: -51.448
tors. eta vs tors. theta energy: -92.892
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: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -961.254782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.254782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.254782 (E_RNA)
where:
Base-Base interactions energy: -654.670
where: short stacking energy: -275.091
Base-Backbone interact. energy: -4.308
local terms energy: -302.277516
where:
bonds (distance) C4'-P energy: -54.817
bonds (distance) P-C4' energy: -68.829
flat angles C4'-P-C4' energy: -65.066
flat angles P-C4'-P energy: -48.282
tors. eta vs tors. theta energy: -65.284
Dist. restrs. and SS energy: 0.000 (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: 42
Temperature: 1.000000
Total energy: -1008.318653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.318653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.318653 (E_RNA)
where:
Base-Base interactions energy: -698.915
where: short stacking energy: -280.498
Base-Backbone interact. energy: 0.072
local terms energy: -309.475477
where:
bonds (distance) C4'-P energy: -56.572
bonds (distance) P-C4' energy: -64.947
flat angles C4'-P-C4' energy: -65.342
flat angles P-C4'-P energy: -50.814
tors. eta vs tors. theta energy: -71.801
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: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -882.059459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.059459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.059459 (E_RNA)
where:
Base-Base interactions energy: -570.891
where: short stacking energy: -256.649
Base-Backbone interact. energy: -2.326
local terms energy: -308.843125
where:
bonds (distance) C4'-P energy: -69.276
bonds (distance) P-C4' energy: -57.306
flat angles C4'-P-C4' energy: -57.127
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -74.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -785.349234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.349234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.349234 (E_RNA)
where:
Base-Base interactions energy: -520.710
where: short stacking energy: -222.779
Base-Backbone interact. energy: -0.027
local terms energy: -264.612108
where:
bonds (distance) C4'-P energy: -55.362
bonds (distance) P-C4' energy: -53.611
flat angles C4'-P-C4' energy: -64.880
flat angles P-C4'-P energy: -41.140
tors. eta vs tors. theta energy: -49.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -724.966690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.966690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.966690 (E_RNA)
where:
Base-Base interactions energy: -475.699
where: short stacking energy: -211.714
Base-Backbone interact. energy: 2.388
local terms energy: -251.655815
where:
bonds (distance) C4'-P energy: -50.338
bonds (distance) P-C4' energy: -51.115
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -58.692
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: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -647.943109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.943109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.943109 (E_RNA)
where:
Base-Base interactions energy: -420.469
where: short stacking energy: -191.600
Base-Backbone interact. energy: -1.450
local terms energy: -226.023735
where:
bonds (distance) C4'-P energy: -49.917
bonds (distance) P-C4' energy: -52.493
flat angles C4'-P-C4' energy: -56.530
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -40.857
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: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -472.911078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.911078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.911078 (E_RNA)
where:
Base-Base interactions energy: -239.991
where: short stacking energy: -133.630
Base-Backbone interact. energy: -1.013
local terms energy: -231.907098
where:
bonds (distance) C4'-P energy: -55.254
bonds (distance) P-C4' energy: -58.494
flat angles C4'-P-C4' energy: -58.907
flat angles P-C4'-P energy: -36.950
tors. eta vs tors. theta energy: -22.303
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: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -378.534558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.534558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.534558 (E_RNA)
where:
Base-Base interactions energy: -192.557
where: short stacking energy: -106.094
Base-Backbone interact. energy: 0.902
local terms energy: -186.879536
where:
bonds (distance) C4'-P energy: -56.468
bonds (distance) P-C4' energy: -57.733
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (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: 42
Temperature: 1.350000
Total energy: -370.159864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.159864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.159864 (E_RNA)
where:
Base-Base interactions energy: -191.212
where: short stacking energy: -115.495
Base-Backbone interact. energy: -0.012
local terms energy: -178.936216
where:
bonds (distance) C4'-P energy: -52.543
bonds (distance) P-C4' energy: -39.527
flat angles C4'-P-C4' energy: -54.079
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (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: 43
Temperature: 0.900000
Total energy: -1002.578948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.578948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.578948 (E_RNA)
where:
Base-Base interactions energy: -668.399
where: short stacking energy: -311.776
Base-Backbone interact. energy: -2.194
local terms energy: -331.985630
where:
bonds (distance) C4'-P energy: -61.982
bonds (distance) P-C4' energy: -60.305
flat angles C4'-P-C4' energy: -76.220
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -91.990
Dist. restrs. and SS energy: 0.000 (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: 43
Temperature: 0.950000
Total energy: -992.482102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.482102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.482102 (E_RNA)
where:
Base-Base interactions energy: -690.422
where: short stacking energy: -266.266
Base-Backbone interact. energy: -0.034
local terms energy: -302.025812
where:
bonds (distance) C4'-P energy: -60.724
bonds (distance) P-C4' energy: -63.417
flat angles C4'-P-C4' energy: -63.833
flat angles P-C4'-P energy: -45.117
tors. eta vs tors. theta energy: -68.934
Dist. restrs. and SS energy: 0.000 (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: 43
Temperature: 1.000000
Total energy: -935.937987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.937987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.937987 (E_RNA)
where:
Base-Base interactions energy: -667.350
where: short stacking energy: -260.350
Base-Backbone interact. energy: -0.471
local terms energy: -268.116441
where:
bonds (distance) C4'-P energy: -46.863
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -62.639
flat angles P-C4'-P energy: -45.609
tors. eta vs tors. theta energy: -64.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -877.935251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.935251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.935251 (E_RNA)
where:
Base-Base interactions energy: -599.553
where: short stacking energy: -280.538
Base-Backbone interact. energy: -0.553
local terms energy: -277.829970
where:
bonds (distance) C4'-P energy: -55.308
bonds (distance) P-C4' energy: -55.716
flat angles C4'-P-C4' energy: -56.027
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -82.324
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: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -810.732594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.732594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.732594 (E_RNA)
where:
Base-Base interactions energy: -535.358
where: short stacking energy: -232.540
Base-Backbone interact. energy: -2.264
local terms energy: -273.110618
where:
bonds (distance) C4'-P energy: -46.311
bonds (distance) P-C4' energy: -57.160
flat angles C4'-P-C4' energy: -68.733
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -60.881
Dist. restrs. and SS energy: 0.000 (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: 43
Temperature: 1.150000
Total energy: -733.852670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.852670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.852670 (E_RNA)
where:
Base-Base interactions energy: -479.777
where: short stacking energy: -214.396
Base-Backbone interact. energy: 0.960
local terms energy: -255.035858
where:
bonds (distance) C4'-P energy: -49.539
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -61.904
flat angles P-C4'-P energy: -33.938
tors. eta vs tors. theta energy: -56.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -614.439283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.439283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.439283 (E_RNA)
where:
Base-Base interactions energy: -381.014
where: short stacking energy: -170.415
Base-Backbone interact. energy: 0.521
local terms energy: -233.946098
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -64.280
flat angles P-C4'-P energy: -20.832
tors. eta vs tors. theta energy: -44.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -460.803464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.803464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.803464 (E_RNA)
where:
Base-Base interactions energy: -243.157
where: short stacking energy: -131.844
Base-Backbone interact. energy: -0.771
local terms energy: -216.876213
where:
bonds (distance) C4'-P energy: -54.159
bonds (distance) P-C4' energy: -59.941
flat angles C4'-P-C4' energy: -60.850
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -22.656
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: 9, replica: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -380.401545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.401545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.401545 (E_RNA)
where:
Base-Base interactions energy: -188.016
where: short stacking energy: -104.772
Base-Backbone interact. energy: -1.978
local terms energy: -190.408044
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -48.282
flat angles C4'-P-C4' energy: -53.202
flat angles P-C4'-P energy: -33.978
tors. eta vs tors. theta energy: -2.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -356.026399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.026399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.026399 (E_RNA)
where:
Base-Base interactions energy: -179.231
where: short stacking energy: -103.261
Base-Backbone interact. energy: 2.769
local terms energy: -179.564801
where:
bonds (distance) C4'-P energy: -51.565
bonds (distance) P-C4' energy: -58.659
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: 1.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -978.426698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.426698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.426698 (E_RNA)
where:
Base-Base interactions energy: -673.274
where: short stacking energy: -303.126
Base-Backbone interact. energy: 2.208
local terms energy: -307.360728
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -55.551
flat angles C4'-P-C4' energy: -72.136
flat angles P-C4'-P energy: -46.545
tors. eta vs tors. theta energy: -90.686
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: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -966.703115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.703115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.703115 (E_RNA)
where:
Base-Base interactions energy: -678.857
where: short stacking energy: -286.323
Base-Backbone interact. energy: -1.398
local terms energy: -286.448833
where:
bonds (distance) C4'-P energy: -59.657
bonds (distance) P-C4' energy: -59.374
flat angles C4'-P-C4' energy: -61.231
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -69.892
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: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -924.820003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.820003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.820003 (E_RNA)
where:
Base-Base interactions energy: -634.837
where: short stacking energy: -264.933
Base-Backbone interact. energy: -1.909
local terms energy: -288.074253
where:
bonds (distance) C4'-P energy: -51.744
bonds (distance) P-C4' energy: -55.922
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -42.310
tors. eta vs tors. theta energy: -73.335
Dist. restrs. and SS energy: 0.000 (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: 44
Temperature: 1.050000
Total energy: -859.064055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.064055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.064055 (E_RNA)
where:
Base-Base interactions energy: -584.456
where: short stacking energy: -262.745
Base-Backbone interact. energy: 0.275
local terms energy: -274.882687
where:
bonds (distance) C4'-P energy: -46.760
bonds (distance) P-C4' energy: -57.557
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -71.958
Dist. restrs. and SS energy: 0.000 (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: 44
Temperature: 1.100000
Total energy: -828.620849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.620849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.620849 (E_RNA)
where:
Base-Base interactions energy: -564.661
where: short stacking energy: -252.212
Base-Backbone interact. energy: -1.031
local terms energy: -262.928256
where:
bonds (distance) C4'-P energy: -57.752
bonds (distance) P-C4' energy: -49.407
flat angles C4'-P-C4' energy: -54.735
flat angles P-C4'-P energy: -39.350
tors. eta vs tors. theta energy: -61.684
Dist. restrs. and SS energy: 0.000 (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: 44
Temperature: 1.150000
Total energy: -742.301450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.301450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.301450 (E_RNA)
where:
Base-Base interactions energy: -492.858
where: short stacking energy: -229.047
Base-Backbone interact. energy: -0.014
local terms energy: -249.430241
where:
bonds (distance) C4'-P energy: -55.470
bonds (distance) P-C4' energy: -58.504
flat angles C4'-P-C4' energy: -48.008
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -51.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -616.394103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.394103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.394103 (E_RNA)
where:
Base-Base interactions energy: -384.340
where: short stacking energy: -187.173
Base-Backbone interact. energy: -0.886
local terms energy: -231.167325
where:
bonds (distance) C4'-P energy: -47.130
bonds (distance) P-C4' energy: -53.162
flat angles C4'-P-C4' energy: -56.168
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -35.147
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: 7
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -512.222931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.222931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.222931 (E_RNA)
where:
Base-Base interactions energy: -308.865
where: short stacking energy: -155.726
Base-Backbone interact. energy: 3.659
local terms energy: -207.016541
where:
bonds (distance) C4'-P energy: -42.561
bonds (distance) P-C4' energy: -58.951
flat angles C4'-P-C4' energy: -52.179
flat angles P-C4'-P energy: -34.731
tors. eta vs tors. theta energy: -18.595
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -424.766290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.766290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.766290 (E_RNA)
where:
Base-Base interactions energy: -235.005
where: short stacking energy: -99.954
Base-Backbone interact. energy: -2.352
local terms energy: -187.409628
where:
bonds (distance) C4'-P energy: -49.579
bonds (distance) P-C4' energy: -56.432
flat angles C4'-P-C4' energy: -56.777
flat angles P-C4'-P energy: -22.649
tors. eta vs tors. theta energy: -1.973
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: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -380.830750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.830750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.830750 (E_RNA)
where:
Base-Base interactions energy: -186.702
where: short stacking energy: -112.179
Base-Backbone interact. energy: -0.414
local terms energy: -193.714389
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -42.762
flat angles C4'-P-C4' energy: -49.321
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (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: 45
Temperature: 0.900000
Total energy: -967.841355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.841355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.841355 (E_RNA)
where:
Base-Base interactions energy: -649.594
where: short stacking energy: -297.694
Base-Backbone interact. energy: -0.923
local terms energy: -317.324472
where:
bonds (distance) C4'-P energy: -62.061
bonds (distance) P-C4' energy: -61.298
flat angles C4'-P-C4' energy: -63.388
flat angles P-C4'-P energy: -51.565
tors. eta vs tors. theta energy: -79.013
Dist. restrs. and SS energy: 0.000 (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: 45
Temperature: 0.950000
Total energy: -973.326223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.326223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.326223 (E_RNA)
where:
Base-Base interactions energy: -680.003
where: short stacking energy: -288.951
Base-Backbone interact. energy: -1.420
local terms energy: -291.902338
where:
bonds (distance) C4'-P energy: -58.579
bonds (distance) P-C4' energy: -55.703
flat angles C4'-P-C4' energy: -61.533
flat angles P-C4'-P energy: -37.993
tors. eta vs tors. theta energy: -78.095
Dist. restrs. and SS energy: 0.000 (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: 45
Temperature: 1.000000
Total energy: -940.772967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.772967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.772967 (E_RNA)
where:
Base-Base interactions energy: -649.767
where: short stacking energy: -267.358
Base-Backbone interact. energy: -1.615
local terms energy: -289.391392
where:
bonds (distance) C4'-P energy: -53.932
bonds (distance) P-C4' energy: -62.632
flat angles C4'-P-C4' energy: -60.871
flat angles P-C4'-P energy: -43.882
tors. eta vs tors. theta energy: -68.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -890.426741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.426741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.426741 (E_RNA)
where:
Base-Base interactions energy: -613.476
where: short stacking energy: -276.240
Base-Backbone interact. energy: 0.331
local terms energy: -277.281381
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -49.240
flat angles C4'-P-C4' energy: -63.348
flat angles P-C4'-P energy: -32.361
tors. eta vs tors. theta energy: -79.089
Dist. restrs. and SS energy: 0.000 (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: 45
Temperature: 1.100000
Total energy: -819.097844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.097844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.097844 (E_RNA)
where:
Base-Base interactions energy: -550.081
where: short stacking energy: -243.528
Base-Backbone interact. energy: -1.535
local terms energy: -267.481614
where:
bonds (distance) C4'-P energy: -52.040
bonds (distance) P-C4' energy: -60.944
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -62.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -755.616684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.616684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.616684 (E_RNA)
where:
Base-Base interactions energy: -501.562
where: short stacking energy: -214.331
Base-Backbone interact. energy: 0.589
local terms energy: -254.643885
where:
bonds (distance) C4'-P energy: -53.998
bonds (distance) P-C4' energy: -55.022
flat angles C4'-P-C4' energy: -53.953
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -48.008
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: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -606.157215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.157215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.157215 (E_RNA)
where:
Base-Base interactions energy: -384.915
where: short stacking energy: -190.364
Base-Backbone interact. energy: -0.751
local terms energy: -220.490837
where:
bonds (distance) C4'-P energy: -45.379
bonds (distance) P-C4' energy: -49.921
flat angles C4'-P-C4' energy: -59.352
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: -41.588
Dist. restrs. and SS energy: 0.000 (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: 45
Temperature: 1.250000
Total energy: -547.514395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.514395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.514395 (E_RNA)
where:
Base-Base interactions energy: -331.755
where: short stacking energy: -152.325
Base-Backbone interact. energy: -3.131
local terms energy: -212.628177
where:
bonds (distance) C4'-P energy: -49.218
bonds (distance) P-C4' energy: -55.049
flat angles C4'-P-C4' energy: -47.999
flat angles P-C4'-P energy: -32.336
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -435.734807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.734807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.734807 (E_RNA)
where:
Base-Base interactions energy: -234.280
where: short stacking energy: -122.002
Base-Backbone interact. energy: 0.293
local terms energy: -201.747313
where:
bonds (distance) C4'-P energy: -41.311
bonds (distance) P-C4' energy: -57.128
flat angles C4'-P-C4' energy: -58.142
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -370.534062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.534062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.534062 (E_RNA)
where:
Base-Base interactions energy: -204.162
where: short stacking energy: -122.475
Base-Backbone interact. energy: -1.906
local terms energy: -164.466185
where:
bonds (distance) C4'-P energy: -47.978
bonds (distance) P-C4' energy: -44.554
flat angles C4'-P-C4' energy: -42.544
flat angles P-C4'-P energy: -18.688
tors. eta vs tors. theta energy: -10.702
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: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -989.617081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.617081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.617081 (E_RNA)
where:
Base-Base interactions energy: -674.977
where: short stacking energy: -295.392
Base-Backbone interact. energy: -0.379
local terms energy: -314.261091
where:
bonds (distance) C4'-P energy: -63.023
bonds (distance) P-C4' energy: -63.272
flat angles C4'-P-C4' energy: -71.245
flat angles P-C4'-P energy: -46.557
tors. eta vs tors. theta energy: -70.165
Dist. restrs. and SS energy: 0.000 (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: 46
Temperature: 0.950000
Total energy: -943.849232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.849232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.849232 (E_RNA)
where:
Base-Base interactions energy: -641.381
where: short stacking energy: -279.783
Base-Backbone interact. energy: 0.607
local terms energy: -303.075111
where:
bonds (distance) C4'-P energy: -55.463
bonds (distance) P-C4' energy: -59.958
flat angles C4'-P-C4' energy: -67.513
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: -71.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -934.411707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.411707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.411707 (E_RNA)
where:
Base-Base interactions energy: -642.535
where: short stacking energy: -278.513
Base-Backbone interact. energy: -2.043
local terms energy: -289.833914
where:
bonds (distance) C4'-P energy: -54.994
bonds (distance) P-C4' energy: -60.271
flat angles C4'-P-C4' energy: -64.155
flat angles P-C4'-P energy: -38.975
tors. eta vs tors. theta energy: -71.439
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: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -871.112908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.112908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.112908 (E_RNA)
where:
Base-Base interactions energy: -596.015
where: short stacking energy: -263.806
Base-Backbone interact. energy: -0.285
local terms energy: -274.812585
where:
bonds (distance) C4'-P energy: -43.872
bonds (distance) P-C4' energy: -47.047
flat angles C4'-P-C4' energy: -62.404
flat angles P-C4'-P energy: -46.386
tors. eta vs tors. theta energy: -75.104
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: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -819.702560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.702560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.702560 (E_RNA)
where:
Base-Base interactions energy: -543.669
where: short stacking energy: -236.496
Base-Backbone interact. energy: -2.811
local terms energy: -273.222400
where:
bonds (distance) C4'-P energy: -57.804
bonds (distance) P-C4' energy: -51.178
flat angles C4'-P-C4' energy: -61.302
flat angles P-C4'-P energy: -37.681
tors. eta vs tors. theta energy: -65.257
Dist. restrs. and SS energy: 0.000 (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: 46
Temperature: 1.150000
Total energy: -787.202894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.202894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.202894 (E_RNA)
where:
Base-Base interactions energy: -526.606
where: short stacking energy: -240.680
Base-Backbone interact. energy: -0.911
local terms energy: -259.685517
where:
bonds (distance) C4'-P energy: -51.817
bonds (distance) P-C4' energy: -45.782
flat angles C4'-P-C4' energy: -64.996
flat angles P-C4'-P energy: -35.870
tors. eta vs tors. theta energy: -61.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -562.523261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.523261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.523261 (E_RNA)
where:
Base-Base interactions energy: -325.467
where: short stacking energy: -167.925
Base-Backbone interact. energy: -0.561
local terms energy: -236.494920
where:
bonds (distance) C4'-P energy: -54.520
bonds (distance) P-C4' energy: -53.961
flat angles C4'-P-C4' energy: -50.625
flat angles P-C4'-P energy: -40.617
tors. eta vs tors. theta energy: -36.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -558.977054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.977054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.977054 (E_RNA)
where:
Base-Base interactions energy: -347.540
where: short stacking energy: -152.142
Base-Backbone interact. energy: -2.660
local terms energy: -208.776456
where:
bonds (distance) C4'-P energy: -43.110
bonds (distance) P-C4' energy: -54.121
flat angles C4'-P-C4' energy: -48.417
flat angles P-C4'-P energy: -45.276
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (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: 46
Temperature: 1.300000
Total energy: -459.497999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.497999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.497999 (E_RNA)
where:
Base-Base interactions energy: -263.630
where: short stacking energy: -125.037
Base-Backbone interact. energy: -0.960
local terms energy: -194.907856
where:
bonds (distance) C4'-P energy: -52.770
bonds (distance) P-C4' energy: -42.044
flat angles C4'-P-C4' energy: -48.000
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (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: 46
Temperature: 1.350000
Total energy: -332.369454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.369454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.369454 (E_RNA)
where:
Base-Base interactions energy: -159.887
where: short stacking energy: -78.592
Base-Backbone interact. energy: -0.185
local terms energy: -172.297584
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -44.913
flat angles C4'-P-C4' energy: -50.812
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -998.512706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.512706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.512706 (E_RNA)
where:
Base-Base interactions energy: -675.111
where: short stacking energy: -280.429
Base-Backbone interact. energy: -1.843
local terms energy: -321.558366
where:
bonds (distance) C4'-P energy: -60.802
bonds (distance) P-C4' energy: -63.491
flat angles C4'-P-C4' energy: -70.513
flat angles P-C4'-P energy: -51.321
tors. eta vs tors. theta energy: -75.432
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: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -940.734295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.734295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.734295 (E_RNA)
where:
Base-Base interactions energy: -627.718
where: short stacking energy: -291.965
Base-Backbone interact. energy: -1.103
local terms energy: -311.913672
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -63.643
flat angles C4'-P-C4' energy: -62.148
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -87.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -913.852419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.852419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.852419 (E_RNA)
where:
Base-Base interactions energy: -644.588
where: short stacking energy: -265.259
Base-Backbone interact. energy: -3.190
local terms energy: -266.074798
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -52.798
flat angles C4'-P-C4' energy: -58.381
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -59.900
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: 4, replica: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -881.000147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.000147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.000147 (E_RNA)
where:
Base-Base interactions energy: -601.823
where: short stacking energy: -262.979
Base-Backbone interact. energy: -2.244
local terms energy: -276.933141
where:
bonds (distance) C4'-P energy: -46.707
bonds (distance) P-C4' energy: -60.288
flat angles C4'-P-C4' energy: -63.896
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -69.267
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: 5, replica: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -798.749129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.749129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.749129 (E_RNA)
where:
Base-Base interactions energy: -530.050
where: short stacking energy: -237.378
Base-Backbone interact. energy: 1.595
local terms energy: -270.294461
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -61.760
flat angles C4'-P-C4' energy: -63.696
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -55.710
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: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -811.419767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.419767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.419767 (E_RNA)
where:
Base-Base interactions energy: -553.807
where: short stacking energy: -244.073
Base-Backbone interact. energy: 1.464
local terms energy: -259.076133
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -57.329
flat angles C4'-P-C4' energy: -60.189
flat angles P-C4'-P energy: -30.567
tors. eta vs tors. theta energy: -63.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -562.400703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.400703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.400703 (E_RNA)
where:
Base-Base interactions energy: -355.412
where: short stacking energy: -187.341
Base-Backbone interact. energy: 1.018
local terms energy: -208.007300
where:
bonds (distance) C4'-P energy: -41.312
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -46.811
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -34.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -532.683486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.683486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.683486 (E_RNA)
where:
Base-Base interactions energy: -320.683
where: short stacking energy: -146.543
Base-Backbone interact. energy: 1.993
local terms energy: -213.993696
where:
bonds (distance) C4'-P energy: -52.585
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -56.487
flat angles P-C4'-P energy: -28.339
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -481.605278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.605278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.605278 (E_RNA)
where:
Base-Base interactions energy: -265.328
where: short stacking energy: -125.337
Base-Backbone interact. energy: 1.076
local terms energy: -217.353931
where:
bonds (distance) C4'-P energy: -54.917
bonds (distance) P-C4' energy: -51.397
flat angles C4'-P-C4' energy: -58.014
flat angles P-C4'-P energy: -35.829
tors. eta vs tors. theta energy: -17.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -330.416297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.416297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.416297 (E_RNA)
where:
Base-Base interactions energy: -159.989
where: short stacking energy: -109.228
Base-Backbone interact. energy: -0.734
local terms energy: -169.693128
where:
bonds (distance) C4'-P energy: -41.470
bonds (distance) P-C4' energy: -54.395
flat angles C4'-P-C4' energy: -32.195
flat angles P-C4'-P energy: -22.647
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (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: 48
Temperature: 0.900000
Total energy: -1024.648408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.648408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.648408 (E_RNA)
where:
Base-Base interactions energy: -714.565
where: short stacking energy: -316.899
Base-Backbone interact. energy: -1.844
local terms energy: -308.239628
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -62.608
flat angles C4'-P-C4' energy: -65.564
flat angles P-C4'-P energy: -41.952
tors. eta vs tors. theta energy: -81.342
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: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -933.506139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.506139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.506139 (E_RNA)
where:
Base-Base interactions energy: -626.705
where: short stacking energy: -287.332
Base-Backbone interact. energy: -0.536
local terms energy: -306.265722
where:
bonds (distance) C4'-P energy: -60.256
bonds (distance) P-C4' energy: -63.823
flat angles C4'-P-C4' energy: -62.786
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -82.884
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: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -914.577825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.577825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.577825 (E_RNA)
where:
Base-Base interactions energy: -606.674
where: short stacking energy: -261.027
Base-Backbone interact. energy: -1.082
local terms energy: -306.822074
where:
bonds (distance) C4'-P energy: -53.630
bonds (distance) P-C4' energy: -67.719
flat angles C4'-P-C4' energy: -70.883
flat angles P-C4'-P energy: -45.455
tors. eta vs tors. theta energy: -69.136
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: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -878.786263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.786263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.786263 (E_RNA)
where:
Base-Base interactions energy: -586.298
where: short stacking energy: -275.774
Base-Backbone interact. energy: -0.089
local terms energy: -292.399250
where:
bonds (distance) C4'-P energy: -50.220
bonds (distance) P-C4' energy: -56.098
flat angles C4'-P-C4' energy: -67.020
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -76.627
Dist. restrs. and SS energy: 0.000 (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: 48
Temperature: 1.100000
Total energy: -850.647117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.647117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.647117 (E_RNA)
where:
Base-Base interactions energy: -560.242
where: short stacking energy: -253.369
Base-Backbone interact. energy: -1.443
local terms energy: -288.962634
where:
bonds (distance) C4'-P energy: -56.255
bonds (distance) P-C4' energy: -55.721
flat angles C4'-P-C4' energy: -56.948
flat angles P-C4'-P energy: -41.548
tors. eta vs tors. theta energy: -78.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -785.043978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.043978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.043978 (E_RNA)
where:
Base-Base interactions energy: -534.366
where: short stacking energy: -241.858
Base-Backbone interact. energy: 2.284
local terms energy: -252.961520
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -53.725
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: -64.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -538.619032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.619032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.619032 (E_RNA)
where:
Base-Base interactions energy: -334.367
where: short stacking energy: -154.002
Base-Backbone interact. energy: -0.316
local terms energy: -203.936012
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -46.720
flat angles C4'-P-C4' energy: -48.781
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: -32.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -538.185121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.185121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.185121 (E_RNA)
where:
Base-Base interactions energy: -318.673
where: short stacking energy: -145.263
Base-Backbone interact. energy: -0.843
local terms energy: -218.668619
where:
bonds (distance) C4'-P energy: -60.146
bonds (distance) P-C4' energy: -48.193
flat angles C4'-P-C4' energy: -53.465
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -27.214
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: 9, replica: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -467.896106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.896106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.896106 (E_RNA)
where:
Base-Base interactions energy: -262.737
where: short stacking energy: -140.682
Base-Backbone interact. energy: -0.094
local terms energy: -205.065044
where:
bonds (distance) C4'-P energy: -59.682
bonds (distance) P-C4' energy: -47.390
flat angles C4'-P-C4' energy: -50.801
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -361.406831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.406831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.406831 (E_RNA)
where:
Base-Base interactions energy: -204.851
where: short stacking energy: -118.816
Base-Backbone interact. energy: -0.141
local terms energy: -156.415091
where:
bonds (distance) C4'-P energy: -32.990
bonds (distance) P-C4' energy: -50.105
flat angles C4'-P-C4' energy: -34.076
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -23.280
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: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1001.668464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.668464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.668464 (E_RNA)
where:
Base-Base interactions energy: -685.869
where: short stacking energy: -287.295
Base-Backbone interact. energy: 0.087
local terms energy: -315.886351
where:
bonds (distance) C4'-P energy: -56.186
bonds (distance) P-C4' energy: -67.110
flat angles C4'-P-C4' energy: -64.757
flat angles P-C4'-P energy: -44.542
tors. eta vs tors. theta energy: -83.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -955.717008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.717008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.717008 (E_RNA)
where:
Base-Base interactions energy: -646.608
where: short stacking energy: -312.052
Base-Backbone interact. energy: 0.303
local terms energy: -309.412314
where:
bonds (distance) C4'-P energy: -58.766
bonds (distance) P-C4' energy: -46.448
flat angles C4'-P-C4' energy: -63.975
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -89.346
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: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -911.848955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.848955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.848955 (E_RNA)
where:
Base-Base interactions energy: -627.394
where: short stacking energy: -251.257
Base-Backbone interact. energy: -1.824
local terms energy: -282.631385
where:
bonds (distance) C4'-P energy: -51.457
bonds (distance) P-C4' energy: -59.203
flat angles C4'-P-C4' energy: -60.243
flat angles P-C4'-P energy: -48.657
tors. eta vs tors. theta energy: -63.070
Dist. restrs. and SS energy: 0.000 (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: 49
Temperature: 1.050000
Total energy: -864.803454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.803454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.803454 (E_RNA)
where:
Base-Base interactions energy: -560.155
where: short stacking energy: -271.038
Base-Backbone interact. energy: -1.183
local terms energy: -303.465446
where:
bonds (distance) C4'-P energy: -54.486
bonds (distance) P-C4' energy: -54.454
flat angles C4'-P-C4' energy: -67.257
flat angles P-C4'-P energy: -43.295
tors. eta vs tors. theta energy: -83.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -870.994513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.994513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.994513 (E_RNA)
where:
Base-Base interactions energy: -574.612
where: short stacking energy: -265.419
Base-Backbone interact. energy: -0.897
local terms energy: -295.485440
where:
bonds (distance) C4'-P energy: -59.326
bonds (distance) P-C4' energy: -60.809
flat angles C4'-P-C4' energy: -59.881
flat angles P-C4'-P energy: -40.015
tors. eta vs tors. theta energy: -75.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -776.112529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.112529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.112529 (E_RNA)
where:
Base-Base interactions energy: -519.885
where: short stacking energy: -235.211
Base-Backbone interact. energy: -1.814
local terms energy: -254.413627
where:
bonds (distance) C4'-P energy: -47.329
bonds (distance) P-C4' energy: -52.481
flat angles C4'-P-C4' energy: -67.015
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -51.973
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: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -602.269446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.269446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.269446 (E_RNA)
where:
Base-Base interactions energy: -358.796
where: short stacking energy: -183.955
Base-Backbone interact. energy: -0.953
local terms energy: -242.520381
where:
bonds (distance) C4'-P energy: -55.481
bonds (distance) P-C4' energy: -57.683
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -34.277
tors. eta vs tors. theta energy: -39.021
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: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -514.741552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.741552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.741552 (E_RNA)
where:
Base-Base interactions energy: -307.939
where: short stacking energy: -146.581
Base-Backbone interact. energy: -0.835
local terms energy: -205.968060
where:
bonds (distance) C4'-P energy: -44.456
bonds (distance) P-C4' energy: -56.091
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -21.797
Dist. restrs. and SS energy: 0.000 (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: 49
Temperature: 1.300000
Total energy: -482.578401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.578401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.578401 (E_RNA)
where:
Base-Base interactions energy: -271.294
where: short stacking energy: -133.854
Base-Backbone interact. energy: 0.299
local terms energy: -211.583568
where:
bonds (distance) C4'-P energy: -43.122
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -47.950
flat angles P-C4'-P energy: -41.478
tors. eta vs tors. theta energy: -21.791
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: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -362.839299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.839299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.839299 (E_RNA)
where:
Base-Base interactions energy: -184.528
where: short stacking energy: -100.272
Base-Backbone interact. energy: 5.029
local terms energy: -183.340439
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -52.966
flat angles C4'-P-C4' energy: -48.572
flat angles P-C4'-P energy: -30.772
tors. eta vs tors. theta energy: -10.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1008.270228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.270228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.270228 (E_RNA)
where:
Base-Base interactions energy: -707.239
where: short stacking energy: -284.220
Base-Backbone interact. energy: -1.008
local terms energy: -300.022278
where:
bonds (distance) C4'-P energy: -44.996
bonds (distance) P-C4' energy: -61.246
flat angles C4'-P-C4' energy: -69.533
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -79.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -948.807492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.807492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.807492 (E_RNA)
where:
Base-Base interactions energy: -648.934
where: short stacking energy: -297.708
Base-Backbone interact. energy: -0.321
local terms energy: -299.552879
where:
bonds (distance) C4'-P energy: -57.007
bonds (distance) P-C4' energy: -52.721
flat angles C4'-P-C4' energy: -64.571
flat angles P-C4'-P energy: -41.920
tors. eta vs tors. theta energy: -83.335
Dist. restrs. and SS energy: 0.000 (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: 50
Temperature: 1.000000
Total energy: -916.700428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.700428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.700428 (E_RNA)
where:
Base-Base interactions energy: -632.828
where: short stacking energy: -261.650
Base-Backbone interact. energy: -0.187
local terms energy: -283.685701
where:
bonds (distance) C4'-P energy: -58.422
bonds (distance) P-C4' energy: -64.156
flat angles C4'-P-C4' energy: -55.790
flat angles P-C4'-P energy: -41.586
tors. eta vs tors. theta energy: -63.731
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: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -887.116875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.116875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.116875 (E_RNA)
where:
Base-Base interactions energy: -589.134
where: short stacking energy: -269.145
Base-Backbone interact. energy: -0.393
local terms energy: -297.589800
where:
bonds (distance) C4'-P energy: -53.561
bonds (distance) P-C4' energy: -62.923
flat angles C4'-P-C4' energy: -66.716
flat angles P-C4'-P energy: -40.857
tors. eta vs tors. theta energy: -73.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -837.115800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.115800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.115800 (E_RNA)
where:
Base-Base interactions energy: -565.335
where: short stacking energy: -243.144
Base-Backbone interact. energy: -0.222
local terms energy: -271.559583
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -51.956
flat angles C4'-P-C4' energy: -63.589
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -66.674
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: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -781.777270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.777270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.777270 (E_RNA)
where:
Base-Base interactions energy: -516.153
where: short stacking energy: -222.497
Base-Backbone interact. energy: -0.628
local terms energy: -264.996060
where:
bonds (distance) C4'-P energy: -45.399
bonds (distance) P-C4' energy: -51.689
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -66.728
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: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -595.739433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.739433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.739433 (E_RNA)
where:
Base-Base interactions energy: -387.583
where: short stacking energy: -175.758
Base-Backbone interact. energy: -0.429
local terms energy: -207.727338
where:
bonds (distance) C4'-P energy: -41.539
bonds (distance) P-C4' energy: -44.693
flat angles C4'-P-C4' energy: -53.599
flat angles P-C4'-P energy: -30.362
tors. eta vs tors. theta energy: -37.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -544.052234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.052234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.052234 (E_RNA)
where:
Base-Base interactions energy: -341.861
where: short stacking energy: -174.312
Base-Backbone interact. energy: 3.662
local terms energy: -205.852407
where:
bonds (distance) C4'-P energy: -48.612
bonds (distance) P-C4' energy: -62.084
flat angles C4'-P-C4' energy: -54.909
flat angles P-C4'-P energy: -18.425
tors. eta vs tors. theta energy: -21.823
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: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -481.067433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.067433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.067433 (E_RNA)
where:
Base-Base interactions energy: -297.529
where: short stacking energy: -145.773
Base-Backbone interact. energy: 0.057
local terms energy: -183.595043
where:
bonds (distance) C4'-P energy: -53.995
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -39.259
flat angles P-C4'-P energy: -33.592
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (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: 50
Temperature: 1.350000
Total energy: -377.221172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.221172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.221172 (E_RNA)
where:
Base-Base interactions energy: -195.037
where: short stacking energy: -114.682
Base-Backbone interact. energy: 1.008
local terms energy: -183.191933
where:
bonds (distance) C4'-P energy: -54.131
bonds (distance) P-C4' energy: -48.911
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -13.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1004.040095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.040095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.040095 (E_RNA)
where:
Base-Base interactions energy: -697.736
where: short stacking energy: -296.736
Base-Backbone interact. energy: -0.230
local terms energy: -306.074179
where:
bonds (distance) C4'-P energy: -48.403
bonds (distance) P-C4' energy: -61.615
flat angles C4'-P-C4' energy: -72.268
flat angles P-C4'-P energy: -40.113
tors. eta vs tors. theta energy: -83.675
Dist. restrs. and SS energy: 0.000 (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: 51
Temperature: 0.950000
Total energy: -960.448230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.448230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.448230 (E_RNA)
where:
Base-Base interactions energy: -648.972
where: short stacking energy: -297.795
Base-Backbone interact. energy: -0.920
local terms energy: -310.556355
where:
bonds (distance) C4'-P energy: -57.494
bonds (distance) P-C4' energy: -59.148
flat angles C4'-P-C4' energy: -68.646
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -85.944
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: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -924.736759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.736759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.736759 (E_RNA)
where:
Base-Base interactions energy: -628.226
where: short stacking energy: -255.493
Base-Backbone interact. energy: 0.134
local terms energy: -296.644591
where:
bonds (distance) C4'-P energy: -55.315
bonds (distance) P-C4' energy: -67.590
flat angles C4'-P-C4' energy: -62.555
flat angles P-C4'-P energy: -43.395
tors. eta vs tors. theta energy: -67.789
Dist. restrs. and SS energy: 0.000 (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: 51
Temperature: 1.050000
Total energy: -891.396032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.396032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.396032 (E_RNA)
where:
Base-Base interactions energy: -594.802
where: short stacking energy: -274.688
Base-Backbone interact. energy: -0.263
local terms energy: -296.330320
where:
bonds (distance) C4'-P energy: -56.949
bonds (distance) P-C4' energy: -63.109
flat angles C4'-P-C4' energy: -61.891
flat angles P-C4'-P energy: -43.478
tors. eta vs tors. theta energy: -70.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -830.258397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.258397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.258397 (E_RNA)
where:
Base-Base interactions energy: -555.871
where: short stacking energy: -234.441
Base-Backbone interact. energy: -3.056
local terms energy: -271.332045
where:
bonds (distance) C4'-P energy: -57.662
bonds (distance) P-C4' energy: -61.518
flat angles C4'-P-C4' energy: -51.279
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -71.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -807.764685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.764685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.764685 (E_RNA)
where:
Base-Base interactions energy: -547.125
where: short stacking energy: -258.239
Base-Backbone interact. energy: 2.921
local terms energy: -263.560831
where:
bonds (distance) C4'-P energy: -57.597
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -53.053
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -68.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -581.535021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.535021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.535021 (E_RNA)
where:
Base-Base interactions energy: -367.469
where: short stacking energy: -175.404
Base-Backbone interact. energy: -0.671
local terms energy: -213.395047
where:
bonds (distance) C4'-P energy: -50.111
bonds (distance) P-C4' energy: -40.185
flat angles C4'-P-C4' energy: -57.119
flat angles P-C4'-P energy: -29.421
tors. eta vs tors. theta energy: -36.559
Dist. restrs. and SS energy: 0.000 (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: 51
Temperature: 1.250000
Total energy: -561.205032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.205032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.205032 (E_RNA)
where:
Base-Base interactions energy: -330.388
where: short stacking energy: -149.503
Base-Backbone interact. energy: 2.260
local terms energy: -233.077750
where:
bonds (distance) C4'-P energy: -48.814
bonds (distance) P-C4' energy: -58.515
flat angles C4'-P-C4' energy: -58.044
flat angles P-C4'-P energy: -39.941
tors. eta vs tors. theta energy: -27.765
Dist. restrs. and SS energy: 0.000 (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: 51
Temperature: 1.300000
Total energy: -490.624195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.624195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.624195 (E_RNA)
where:
Base-Base interactions energy: -275.477
where: short stacking energy: -139.366
Base-Backbone interact. energy: -2.919
local terms energy: -212.228288
where:
bonds (distance) C4'-P energy: -52.511
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -29.646
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -388.480668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.480668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.480668 (E_RNA)
where:
Base-Base interactions energy: -195.454
where: short stacking energy: -106.493
Base-Backbone interact. energy: -0.836
local terms energy: -192.190672
where:
bonds (distance) C4'-P energy: -53.880
bonds (distance) P-C4' energy: -61.119
flat angles C4'-P-C4' energy: -37.496
flat angles P-C4'-P energy: -32.117
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (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: 52
Temperature: 0.900000
Total energy: -1011.094643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.094643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.094643 (E_RNA)
where:
Base-Base interactions energy: -720.284
where: short stacking energy: -284.072
Base-Backbone interact. energy: 7.570
local terms energy: -298.380870
where:
bonds (distance) C4'-P energy: -67.868
bonds (distance) P-C4' energy: -51.574
flat angles C4'-P-C4' energy: -60.834
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -72.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -939.626770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.626770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.626770 (E_RNA)
where:
Base-Base interactions energy: -635.188
where: short stacking energy: -298.031
Base-Backbone interact. energy: -0.738
local terms energy: -303.701109
where:
bonds (distance) C4'-P energy: -57.684
bonds (distance) P-C4' energy: -56.031
flat angles C4'-P-C4' energy: -72.009
flat angles P-C4'-P energy: -38.229
tors. eta vs tors. theta energy: -79.749
Dist. restrs. and SS energy: 0.000 (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: 52
Temperature: 1.000000
Total energy: -941.599528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.599528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.599528 (E_RNA)
where:
Base-Base interactions energy: -638.718
where: short stacking energy: -275.541
Base-Backbone interact. energy: -1.659
local terms energy: -301.222881
where:
bonds (distance) C4'-P energy: -59.644
bonds (distance) P-C4' energy: -53.688
flat angles C4'-P-C4' energy: -71.836
flat angles P-C4'-P energy: -38.566
tors. eta vs tors. theta energy: -77.490
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: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -928.028038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.028038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.028038 (E_RNA)
where:
Base-Base interactions energy: -630.691
where: short stacking energy: -284.241
Base-Backbone interact. energy: -2.121
local terms energy: -295.216036
where:
bonds (distance) C4'-P energy: -60.609
bonds (distance) P-C4' energy: -55.528
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: -87.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -848.721741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.721741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.721741 (E_RNA)
where:
Base-Base interactions energy: -572.303
where: short stacking energy: -271.770
Base-Backbone interact. energy: -1.162
local terms energy: -275.256592
where:
bonds (distance) C4'-P energy: -53.602
bonds (distance) P-C4' energy: -65.491
flat angles C4'-P-C4' energy: -57.432
flat angles P-C4'-P energy: -30.062
tors. eta vs tors. theta energy: -68.670
Dist. restrs. and SS energy: 0.000 (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: 52
Temperature: 1.150000
Total energy: -785.948784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.948784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.948784 (E_RNA)
where:
Base-Base interactions energy: -527.813
where: short stacking energy: -242.422
Base-Backbone interact. energy: -0.899
local terms energy: -257.237102
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -54.137
flat angles C4'-P-C4' energy: -52.701
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: -60.891
Dist. restrs. and SS energy: 0.000 (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: 52
Temperature: 1.200000
Total energy: -626.163549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.163549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.163549 (E_RNA)
where:
Base-Base interactions energy: -380.705
where: short stacking energy: -192.201
Base-Backbone interact. energy: -0.628
local terms energy: -244.830758
where:
bonds (distance) C4'-P energy: -52.154
bonds (distance) P-C4' energy: -48.328
flat angles C4'-P-C4' energy: -59.968
flat angles P-C4'-P energy: -36.276
tors. eta vs tors. theta energy: -48.104
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: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -537.206652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.206652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.206652 (E_RNA)
where:
Base-Base interactions energy: -345.479
where: short stacking energy: -152.401
Base-Backbone interact. energy: 2.004
local terms energy: -193.731414
where:
bonds (distance) C4'-P energy: -40.543
bonds (distance) P-C4' energy: -51.657
flat angles C4'-P-C4' energy: -48.718
flat angles P-C4'-P energy: -31.422
tors. eta vs tors. theta energy: -21.390
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: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -491.106206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.106206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.106206 (E_RNA)
where:
Base-Base interactions energy: -295.653
where: short stacking energy: -145.297
Base-Backbone interact. energy: -0.877
local terms energy: -194.576514
where:
bonds (distance) C4'-P energy: -53.416
bonds (distance) P-C4' energy: -51.472
flat angles C4'-P-C4' energy: -41.061
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -23.367
Dist. restrs. and SS energy: 0.000 (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: 52
Temperature: 1.350000
Total energy: -435.943974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.943974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.943974 (E_RNA)
where:
Base-Base interactions energy: -234.658
where: short stacking energy: -136.422
Base-Backbone interact. energy: 0.874
local terms energy: -202.159996
where:
bonds (distance) C4'-P energy: -59.779
bonds (distance) P-C4' energy: -52.774
flat angles C4'-P-C4' energy: -42.736
flat angles P-C4'-P energy: -34.369
tors. eta vs tors. theta energy: -12.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1030.755805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.755805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.755805 (E_RNA)
where:
Base-Base interactions energy: -703.390
where: short stacking energy: -283.501
Base-Backbone interact. energy: -1.834
local terms energy: -325.531097
where:
bonds (distance) C4'-P energy: -64.405
bonds (distance) P-C4' energy: -59.250
flat angles C4'-P-C4' energy: -71.983
flat angles P-C4'-P energy: -49.541
tors. eta vs tors. theta energy: -80.352
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: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -953.758714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.758714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.758714 (E_RNA)
where:
Base-Base interactions energy: -640.732
where: short stacking energy: -294.913
Base-Backbone interact. energy: -1.413
local terms energy: -311.613993
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -58.325
flat angles C4'-P-C4' energy: -67.471
flat angles P-C4'-P energy: -49.844
tors. eta vs tors. theta energy: -82.988
Dist. restrs. and SS energy: 0.000 (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: 53
Temperature: 1.000000
Total energy: -915.682346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.682346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.682346 (E_RNA)
where:
Base-Base interactions energy: -631.052
where: short stacking energy: -263.403
Base-Backbone interact. energy: -1.165
local terms energy: -283.465234
where:
bonds (distance) C4'-P energy: -55.698
bonds (distance) P-C4' energy: -58.583
flat angles C4'-P-C4' energy: -65.188
flat angles P-C4'-P energy: -35.188
tors. eta vs tors. theta energy: -68.808
Dist. restrs. and SS energy: 0.000 (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: 53
Temperature: 1.050000
Total energy: -952.154372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.154372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.154372 (E_RNA)
where:
Base-Base interactions energy: -650.318
where: short stacking energy: -299.264
Base-Backbone interact. energy: 2.258
local terms energy: -304.094123
where:
bonds (distance) C4'-P energy: -55.143
bonds (distance) P-C4' energy: -60.102
flat angles C4'-P-C4' energy: -56.138
flat angles P-C4'-P energy: -44.338
tors. eta vs tors. theta energy: -88.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -861.358680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.358680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.358680 (E_RNA)
where:
Base-Base interactions energy: -585.737
where: short stacking energy: -269.259
Base-Backbone interact. energy: 1.412
local terms energy: -277.033081
where:
bonds (distance) C4'-P energy: -55.441
bonds (distance) P-C4' energy: -51.331
flat angles C4'-P-C4' energy: -54.825
flat angles P-C4'-P energy: -41.083
tors. eta vs tors. theta energy: -74.352
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: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -779.405570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.405570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.405570 (E_RNA)
where:
Base-Base interactions energy: -514.265
where: short stacking energy: -226.774
Base-Backbone interact. energy: 0.352
local terms energy: -265.492428
where:
bonds (distance) C4'-P energy: -47.768
bonds (distance) P-C4' energy: -63.583
flat angles C4'-P-C4' energy: -55.122
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -58.970
Dist. restrs. and SS energy: 0.000 (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: 53
Temperature: 1.200000
Total energy: -574.527996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.527996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.527996 (E_RNA)
where:
Base-Base interactions energy: -335.930
where: short stacking energy: -166.527
Base-Backbone interact. energy: -0.707
local terms energy: -237.890677
where:
bonds (distance) C4'-P energy: -60.140
bonds (distance) P-C4' energy: -54.494
flat angles C4'-P-C4' energy: -50.264
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: -36.137
Dist. restrs. and SS energy: 0.000 (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: 53
Temperature: 1.250000
Total energy: -538.961332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.961332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.961332 (E_RNA)
where:
Base-Base interactions energy: -325.580
where: short stacking energy: -142.109
Base-Backbone interact. energy: -0.898
local terms energy: -212.483511
where:
bonds (distance) C4'-P energy: -57.247
bonds (distance) P-C4' energy: -44.636
flat angles C4'-P-C4' energy: -59.377
flat angles P-C4'-P energy: -31.250
tors. eta vs tors. theta energy: -19.973
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: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -461.033090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.033090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.033090 (E_RNA)
where:
Base-Base interactions energy: -267.218
where: short stacking energy: -136.265
Base-Backbone interact. energy: 1.198
local terms energy: -195.012922
where:
bonds (distance) C4'-P energy: -41.611
bonds (distance) P-C4' energy: -59.833
flat angles C4'-P-C4' energy: -43.591
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -26.192
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: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -416.854388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.854388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.854388 (E_RNA)
where:
Base-Base interactions energy: -210.118
where: short stacking energy: -109.294
Base-Backbone interact. energy: -0.776
local terms energy: -205.960550
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -62.996
flat angles C4'-P-C4' energy: -46.571
flat angles P-C4'-P energy: -39.657
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1033.763476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.763476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.763476 (E_RNA)
where:
Base-Base interactions energy: -729.964
where: short stacking energy: -303.907
Base-Backbone interact. energy: -2.550
local terms energy: -301.249301
where:
bonds (distance) C4'-P energy: -54.972
bonds (distance) P-C4' energy: -62.779
flat angles C4'-P-C4' energy: -64.197
flat angles P-C4'-P energy: -44.534
tors. eta vs tors. theta energy: -74.767
Dist. restrs. and SS energy: 0.000 (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: 54
Temperature: 0.950000
Total energy: -984.544822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.544822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.544822 (E_RNA)
where:
Base-Base interactions energy: -665.891
where: short stacking energy: -300.460
Base-Backbone interact. energy: 0.537
local terms energy: -319.190226
where:
bonds (distance) C4'-P energy: -55.703
bonds (distance) P-C4' energy: -58.194
flat angles C4'-P-C4' energy: -71.796
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -85.917
Dist. restrs. and SS energy: 0.000 (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: 54
Temperature: 1.000000
Total energy: -954.444146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.444146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.444146 (E_RNA)
where:
Base-Base interactions energy: -645.395
where: short stacking energy: -284.520
Base-Backbone interact. energy: 1.737
local terms energy: -310.786373
where:
bonds (distance) C4'-P energy: -59.577
bonds (distance) P-C4' energy: -59.088
flat angles C4'-P-C4' energy: -66.265
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -84.744
Dist. restrs. and SS energy: 0.000 (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: 54
Temperature: 1.050000
Total energy: -889.427706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.427706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.427706 (E_RNA)
where:
Base-Base interactions energy: -588.248
where: short stacking energy: -269.035
Base-Backbone interact. energy: -0.972
local terms energy: -300.208516
where:
bonds (distance) C4'-P energy: -53.454
bonds (distance) P-C4' energy: -58.378
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -77.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -822.498046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.498046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.498046 (E_RNA)
where:
Base-Base interactions energy: -560.804
where: short stacking energy: -252.459
Base-Backbone interact. energy: -0.962
local terms energy: -260.731725
where:
bonds (distance) C4'-P energy: -44.314
bonds (distance) P-C4' energy: -52.302
flat angles C4'-P-C4' energy: -61.526
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -63.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -792.370189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.370189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.370189 (E_RNA)
where:
Base-Base interactions energy: -523.345
where: short stacking energy: -250.886
Base-Backbone interact. energy: -0.675
local terms energy: -268.350407
where:
bonds (distance) C4'-P energy: -56.766
bonds (distance) P-C4' energy: -60.047
flat angles C4'-P-C4' energy: -57.551
flat angles P-C4'-P energy: -37.970
tors. eta vs tors. theta energy: -56.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -582.331034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.331034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.331034 (E_RNA)
where:
Base-Base interactions energy: -358.370
where: short stacking energy: -168.435
Base-Backbone interact. energy: -0.979
local terms energy: -222.981983
where:
bonds (distance) C4'-P energy: -57.700
bonds (distance) P-C4' energy: -54.602
flat angles C4'-P-C4' energy: -47.684
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -36.668
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: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -511.689262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.689262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.689262 (E_RNA)
where:
Base-Base interactions energy: -312.299
where: short stacking energy: -155.796
Base-Backbone interact. energy: -2.298
local terms energy: -197.092530
where:
bonds (distance) C4'-P energy: -39.307
bonds (distance) P-C4' energy: -54.388
flat angles C4'-P-C4' energy: -47.792
flat angles P-C4'-P energy: -22.189
tors. eta vs tors. theta energy: -33.417
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: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -436.796505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.796505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.796505 (E_RNA)
where:
Base-Base interactions energy: -247.512
where: short stacking energy: -137.834
Base-Backbone interact. energy: -0.920
local terms energy: -188.365028
where:
bonds (distance) C4'-P energy: -43.283
bonds (distance) P-C4' energy: -51.852
flat angles C4'-P-C4' energy: -40.853
flat angles P-C4'-P energy: -36.168
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (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: 54
Temperature: 1.350000
Total energy: -470.628679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.628679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.628679 (E_RNA)
where:
Base-Base interactions energy: -278.927
where: short stacking energy: -132.038
Base-Backbone interact. energy: 0.291
local terms energy: -191.992325
where:
bonds (distance) C4'-P energy: -56.960
bonds (distance) P-C4' energy: -49.183
flat angles C4'-P-C4' energy: -45.151
flat angles P-C4'-P energy: -22.479
tors. eta vs tors. theta energy: -18.219
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: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1040.199232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.199232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.199232 (E_RNA)
where:
Base-Base interactions energy: -717.367
where: short stacking energy: -308.217
Base-Backbone interact. energy: 0.474
local terms energy: -323.305498
where:
bonds (distance) C4'-P energy: -58.696
bonds (distance) P-C4' energy: -58.477
flat angles C4'-P-C4' energy: -71.204
flat angles P-C4'-P energy: -52.806
tors. eta vs tors. theta energy: -82.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -995.312534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.312534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.312534 (E_RNA)
where:
Base-Base interactions energy: -680.441
where: short stacking energy: -293.819
Base-Backbone interact. energy: -0.141
local terms energy: -314.729836
where:
bonds (distance) C4'-P energy: -59.761
bonds (distance) P-C4' energy: -61.512
flat angles C4'-P-C4' energy: -57.552
flat angles P-C4'-P energy: -44.624
tors. eta vs tors. theta energy: -91.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -965.246795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.246795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.246795 (E_RNA)
where:
Base-Base interactions energy: -660.158
where: short stacking energy: -297.318
Base-Backbone interact. energy: -0.938
local terms energy: -304.150918
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -64.203
flat angles C4'-P-C4' energy: -71.478
flat angles P-C4'-P energy: -39.594
tors. eta vs tors. theta energy: -79.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -907.399891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.399891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.399891 (E_RNA)
where:
Base-Base interactions energy: -618.249
where: short stacking energy: -278.587
Base-Backbone interact. energy: 0.391
local terms energy: -289.541186
where:
bonds (distance) C4'-P energy: -62.789
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -62.424
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -74.717
Dist. restrs. and SS energy: 0.000 (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: 55
Temperature: 1.100000
Total energy: -838.288625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.288625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.288625 (E_RNA)
where:
Base-Base interactions energy: -566.291
where: short stacking energy: -248.487
Base-Backbone interact. energy: -1.076
local terms energy: -270.921485
where:
bonds (distance) C4'-P energy: -45.039
bonds (distance) P-C4' energy: -58.327
flat angles C4'-P-C4' energy: -65.421
flat angles P-C4'-P energy: -43.407
tors. eta vs tors. theta energy: -58.727
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: 6, replica: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -762.917911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.917911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.917911 (E_RNA)
where:
Base-Base interactions energy: -513.314
where: short stacking energy: -235.374
Base-Backbone interact. energy: -1.120
local terms energy: -248.483797
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -52.253
flat angles C4'-P-C4' energy: -51.546
flat angles P-C4'-P energy: -41.082
tors. eta vs tors. theta energy: -55.763
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: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -579.628615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.628615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.628615 (E_RNA)
where:
Base-Base interactions energy: -347.749
where: short stacking energy: -183.850
Base-Backbone interact. energy: -1.687
local terms energy: -230.192632
where:
bonds (distance) C4'-P energy: -58.042
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -53.981
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -38.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -536.286340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.286340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.286340 (E_RNA)
where:
Base-Base interactions energy: -334.057
where: short stacking energy: -175.476
Base-Backbone interact. energy: -0.470
local terms energy: -201.759537
where:
bonds (distance) C4'-P energy: -40.798
bonds (distance) P-C4' energy: -54.660
flat angles C4'-P-C4' energy: -52.495
flat angles P-C4'-P energy: -22.481
tors. eta vs tors. theta energy: -31.326
Dist. restrs. and SS energy: 0.000 (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: 55
Temperature: 1.300000
Total energy: -473.857634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.857634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.857634 (E_RNA)
where:
Base-Base interactions energy: -272.310
where: short stacking energy: -162.491
Base-Backbone interact. energy: 3.340
local terms energy: -204.888117
where:
bonds (distance) C4'-P energy: -52.945
bonds (distance) P-C4' energy: -45.536
flat angles C4'-P-C4' energy: -50.819
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -31.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -460.616499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.616499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.616499 (E_RNA)
where:
Base-Base interactions energy: -289.925
where: short stacking energy: -143.992
Base-Backbone interact. energy: -1.056
local terms energy: -169.635740
where:
bonds (distance) C4'-P energy: -44.328
bonds (distance) P-C4' energy: -45.469
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1021.912837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.912837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.912837 (E_RNA)
where:
Base-Base interactions energy: -681.459
where: short stacking energy: -303.961
Base-Backbone interact. energy: -0.372
local terms energy: -340.081633
where:
bonds (distance) C4'-P energy: -61.762
bonds (distance) P-C4' energy: -64.219
flat angles C4'-P-C4' energy: -72.481
flat angles P-C4'-P energy: -54.066
tors. eta vs tors. theta energy: -87.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -997.267085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.267085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.267085 (E_RNA)
where:
Base-Base interactions energy: -695.559
where: short stacking energy: -280.189
Base-Backbone interact. energy: -1.514
local terms energy: -300.193673
where:
bonds (distance) C4'-P energy: -57.446
bonds (distance) P-C4' energy: -55.543
flat angles C4'-P-C4' energy: -67.132
flat angles P-C4'-P energy: -43.449
tors. eta vs tors. theta energy: -76.624
Dist. restrs. and SS energy: 0.000 (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: 56
Temperature: 1.000000
Total energy: -929.008666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.008666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.008666 (E_RNA)
where:
Base-Base interactions energy: -619.952
where: short stacking energy: -285.584
Base-Backbone interact. energy: -0.487
local terms energy: -308.569441
where:
bonds (distance) C4'-P energy: -58.555
bonds (distance) P-C4' energy: -61.922
flat angles C4'-P-C4' energy: -65.104
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -81.388
Dist. restrs. and SS energy: 0.000 (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: 56
Temperature: 1.050000
Total energy: -877.256794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.256794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.256794 (E_RNA)
where:
Base-Base interactions energy: -591.891
where: short stacking energy: -252.396
Base-Backbone interact. energy: -1.430
local terms energy: -283.936370
where:
bonds (distance) C4'-P energy: -63.039
bonds (distance) P-C4' energy: -58.854
flat angles C4'-P-C4' energy: -61.572
flat angles P-C4'-P energy: -37.839
tors. eta vs tors. theta energy: -62.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -787.225883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.225883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.225883 (E_RNA)
where:
Base-Base interactions energy: -527.066
where: short stacking energy: -252.751
Base-Backbone interact. energy: -1.194
local terms energy: -258.965822
where:
bonds (distance) C4'-P energy: -50.009
bonds (distance) P-C4' energy: -47.332
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -38.650
tors. eta vs tors. theta energy: -67.971
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: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -793.749819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.749819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.749819 (E_RNA)
where:
Base-Base interactions energy: -540.776
where: short stacking energy: -234.491
Base-Backbone interact. energy: -1.018
local terms energy: -251.954988
where:
bonds (distance) C4'-P energy: -47.751
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -46.306
flat angles P-C4'-P energy: -37.836
tors. eta vs tors. theta energy: -63.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -623.579002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.579002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.579002 (E_RNA)
where:
Base-Base interactions energy: -387.926
where: short stacking energy: -176.723
Base-Backbone interact. energy: -1.129
local terms energy: -234.524000
where:
bonds (distance) C4'-P energy: -55.404
bonds (distance) P-C4' energy: -46.616
flat angles C4'-P-C4' energy: -51.945
flat angles P-C4'-P energy: -36.779
tors. eta vs tors. theta energy: -43.781
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: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -532.060593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.060593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.060593 (E_RNA)
where:
Base-Base interactions energy: -332.713
where: short stacking energy: -160.380
Base-Backbone interact. energy: -0.188
local terms energy: -199.159258
where:
bonds (distance) C4'-P energy: -39.901
bonds (distance) P-C4' energy: -52.199
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -29.379
tors. eta vs tors. theta energy: -32.745
Dist. restrs. and SS energy: 0.000 (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: 56
Temperature: 1.300000
Total energy: -448.315588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.315588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.315588 (E_RNA)
where:
Base-Base interactions energy: -261.715
where: short stacking energy: -128.745
Base-Backbone interact. energy: -1.705
local terms energy: -184.895443
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -45.791
flat angles C4'-P-C4' energy: -38.985
flat angles P-C4'-P energy: -35.721
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.000 (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: 56
Temperature: 1.350000
Total energy: -436.569311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.569311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.569311 (E_RNA)
where:
Base-Base interactions energy: -253.897
where: short stacking energy: -132.659
Base-Backbone interact. energy: -1.215
local terms energy: -181.456731
where:
bonds (distance) C4'-P energy: -39.564
bonds (distance) P-C4' energy: -48.538
flat angles C4'-P-C4' energy: -39.678
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -27.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1028.549477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.549477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.549477 (E_RNA)
where:
Base-Base interactions energy: -706.587
where: short stacking energy: -303.074
Base-Backbone interact. energy: -0.564
local terms energy: -321.399241
where:
bonds (distance) C4'-P energy: -52.531
bonds (distance) P-C4' energy: -63.509
flat angles C4'-P-C4' energy: -61.474
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -93.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1002.670386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.670386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.670386 (E_RNA)
where:
Base-Base interactions energy: -696.228
where: short stacking energy: -280.027
Base-Backbone interact. energy: -2.024
local terms energy: -304.418518
where:
bonds (distance) C4'-P energy: -56.478
bonds (distance) P-C4' energy: -64.363
flat angles C4'-P-C4' energy: -65.654
flat angles P-C4'-P energy: -37.072
tors. eta vs tors. theta energy: -80.852
Dist. restrs. and SS energy: 0.000 (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: 57
Temperature: 1.000000
Total energy: -934.029484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.029484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.029484 (E_RNA)
where:
Base-Base interactions energy: -630.266
where: short stacking energy: -298.576
Base-Backbone interact. energy: -0.538
local terms energy: -303.226178
where:
bonds (distance) C4'-P energy: -52.691
bonds (distance) P-C4' energy: -55.784
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -43.982
tors. eta vs tors. theta energy: -83.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -903.221927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.221927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.221927 (E_RNA)
where:
Base-Base interactions energy: -605.718
where: short stacking energy: -260.415
Base-Backbone interact. energy: -2.910
local terms energy: -294.593751
where:
bonds (distance) C4'-P energy: -53.809
bonds (distance) P-C4' energy: -56.107
flat angles C4'-P-C4' energy: -63.754
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -75.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -860.042778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.042778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.042778 (E_RNA)
where:
Base-Base interactions energy: -571.994
where: short stacking energy: -263.909
Base-Backbone interact. energy: -0.806
local terms energy: -287.242228
where:
bonds (distance) C4'-P energy: -48.719
bonds (distance) P-C4' energy: -57.437
flat angles C4'-P-C4' energy: -64.447
flat angles P-C4'-P energy: -41.496
tors. eta vs tors. theta energy: -75.144
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: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -757.660790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.660790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.660790 (E_RNA)
where:
Base-Base interactions energy: -496.819
where: short stacking energy: -218.976
Base-Backbone interact. energy: -0.394
local terms energy: -260.447651
where:
bonds (distance) C4'-P energy: -48.072
bonds (distance) P-C4' energy: -47.203
flat angles C4'-P-C4' energy: -57.993
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -67.377
Dist. restrs. and SS energy: 0.000 (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: 57
Temperature: 1.200000
Total energy: -553.634740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.634740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.634740 (E_RNA)
where:
Base-Base interactions energy: -331.927
where: short stacking energy: -167.653
Base-Backbone interact. energy: 3.432
local terms energy: -225.139708
where:
bonds (distance) C4'-P energy: -53.133
bonds (distance) P-C4' energy: -51.248
flat angles C4'-P-C4' energy: -57.998
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -29.184
Dist. restrs. and SS energy: 0.000 (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: 57
Temperature: 1.250000
Total energy: -491.968528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.968528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.968528 (E_RNA)
where:
Base-Base interactions energy: -290.069
where: short stacking energy: -134.309
Base-Backbone interact. energy: 0.484
local terms energy: -202.383974
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -51.774
flat angles C4'-P-C4' energy: -55.680
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -457.000952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.000952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.000952 (E_RNA)
where:
Base-Base interactions energy: -283.564
where: short stacking energy: -151.746
Base-Backbone interact. energy: 0.760
local terms energy: -174.197823
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -49.552
flat angles C4'-P-C4' energy: -38.665
flat angles P-C4'-P energy: -33.829
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 0.000 (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: 57
Temperature: 1.350000
Total energy: -427.606575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.606575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.606575 (E_RNA)
where:
Base-Base interactions energy: -226.173
where: short stacking energy: -117.858
Base-Backbone interact. energy: -0.354
local terms energy: -201.080267
where:
bonds (distance) C4'-P energy: -56.756
bonds (distance) P-C4' energy: -55.102
flat angles C4'-P-C4' energy: -49.221
flat angles P-C4'-P energy: -28.307
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.000 (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: 58
Temperature: 0.900000
Total energy: -1024.174842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.174842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.174842 (E_RNA)
where:
Base-Base interactions energy: -716.568
where: short stacking energy: -294.277
Base-Backbone interact. energy: -0.061
local terms energy: -307.545753
where:
bonds (distance) C4'-P energy: -59.432
bonds (distance) P-C4' energy: -61.603
flat angles C4'-P-C4' energy: -65.289
flat angles P-C4'-P energy: -46.385
tors. eta vs tors. theta energy: -74.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1014.270222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.270222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.270222 (E_RNA)
where:
Base-Base interactions energy: -695.391
where: short stacking energy: -315.729
Base-Backbone interact. energy: -1.210
local terms energy: -317.669681
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -65.645
flat angles C4'-P-C4' energy: -62.127
flat angles P-C4'-P energy: -47.264
tors. eta vs tors. theta energy: -87.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -940.504683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.504683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.504683 (E_RNA)
where:
Base-Base interactions energy: -642.018
where: short stacking energy: -307.992
Base-Backbone interact. energy: -0.186
local terms energy: -298.299933
where:
bonds (distance) C4'-P energy: -53.529
bonds (distance) P-C4' energy: -50.266
flat angles C4'-P-C4' energy: -66.723
flat angles P-C4'-P energy: -40.010
tors. eta vs tors. theta energy: -87.772
Dist. restrs. and SS energy: 0.000 (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: 58
Temperature: 1.050000
Total energy: -912.372882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.372882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.372882 (E_RNA)
where:
Base-Base interactions energy: -624.841
where: short stacking energy: -267.001
Base-Backbone interact. energy: -1.416
local terms energy: -286.115742
where:
bonds (distance) C4'-P energy: -44.669
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -62.987
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -83.922
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: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -840.535245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.535245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.535245 (E_RNA)
where:
Base-Base interactions energy: -572.002
where: short stacking energy: -259.717
Base-Backbone interact. energy: -2.802
local terms energy: -265.731282
where:
bonds (distance) C4'-P energy: -50.849
bonds (distance) P-C4' energy: -54.719
flat angles C4'-P-C4' energy: -51.317
flat angles P-C4'-P energy: -40.499
tors. eta vs tors. theta energy: -68.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -771.783317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.783317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.783317 (E_RNA)
where:
Base-Base interactions energy: -518.654
where: short stacking energy: -229.071
Base-Backbone interact. energy: -0.859
local terms energy: -252.270409
where:
bonds (distance) C4'-P energy: -48.418
bonds (distance) P-C4' energy: -53.763
flat angles C4'-P-C4' energy: -60.064
flat angles P-C4'-P energy: -36.085
tors. eta vs tors. theta energy: -53.940
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: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -552.948801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.948801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.948801 (E_RNA)
where:
Base-Base interactions energy: -312.382
where: short stacking energy: -160.832
Base-Backbone interact. energy: -0.420
local terms energy: -240.147193
where:
bonds (distance) C4'-P energy: -46.888
bonds (distance) P-C4' energy: -60.142
flat angles C4'-P-C4' energy: -59.743
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -39.185
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: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -567.612066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.612066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.612066 (E_RNA)
where:
Base-Base interactions energy: -354.661
where: short stacking energy: -162.714
Base-Backbone interact. energy: 0.101
local terms energy: -213.052093
where:
bonds (distance) C4'-P energy: -51.099
bonds (distance) P-C4' energy: -52.170
flat angles C4'-P-C4' energy: -45.022
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -29.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -513.255008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.255008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.255008 (E_RNA)
where:
Base-Base interactions energy: -300.398
where: short stacking energy: -144.304
Base-Backbone interact. energy: -1.383
local terms energy: -211.473684
where:
bonds (distance) C4'-P energy: -48.010
bonds (distance) P-C4' energy: -53.741
flat angles C4'-P-C4' energy: -45.530
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: -34.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -416.022144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.022144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.022144 (E_RNA)
where:
Base-Base interactions energy: -236.536
where: short stacking energy: -115.255
Base-Backbone interact. energy: -1.418
local terms energy: -178.068794
where:
bonds (distance) C4'-P energy: -45.477
bonds (distance) P-C4' energy: -60.322
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1026.332520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.332520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.332520 (E_RNA)
where:
Base-Base interactions energy: -713.250
where: short stacking energy: -286.933
Base-Backbone interact. energy: -1.484
local terms energy: -311.598048
where:
bonds (distance) C4'-P energy: -60.905
bonds (distance) P-C4' energy: -64.188
flat angles C4'-P-C4' energy: -68.479
flat angles P-C4'-P energy: -46.998
tors. eta vs tors. theta energy: -71.027
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: 2, replica: 8
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1017.448894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.448894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.448894 (E_RNA)
where:
Base-Base interactions energy: -698.768
where: short stacking energy: -304.447
Base-Backbone interact. energy: -0.837
local terms energy: -317.844038
where:
bonds (distance) C4'-P energy: -57.816
bonds (distance) P-C4' energy: -61.562
flat angles C4'-P-C4' energy: -70.181
flat angles P-C4'-P energy: -43.650
tors. eta vs tors. theta energy: -84.635
Dist. restrs. and SS energy: 0.000 (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: 59
Temperature: 1.000000
Total energy: -925.830642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.830642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.830642 (E_RNA)
where:
Base-Base interactions energy: -625.178
where: short stacking energy: -282.818
Base-Backbone interact. energy: 0.123
local terms energy: -300.776180
where:
bonds (distance) C4'-P energy: -55.769
bonds (distance) P-C4' energy: -63.323
flat angles C4'-P-C4' energy: -65.419
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: -80.711
Dist. restrs. and SS energy: 0.000 (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: 59
Temperature: 1.050000
Total energy: -916.930517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.930517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.930517 (E_RNA)
where:
Base-Base interactions energy: -637.454
where: short stacking energy: -273.546
Base-Backbone interact. energy: 3.228
local terms energy: -282.704235
where:
bonds (distance) C4'-P energy: -51.401
bonds (distance) P-C4' energy: -57.761
flat angles C4'-P-C4' energy: -64.854
flat angles P-C4'-P energy: -35.292
tors. eta vs tors. theta energy: -73.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -819.233870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.233870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.233870 (E_RNA)
where:
Base-Base interactions energy: -554.061
where: short stacking energy: -264.029
Base-Backbone interact. energy: 1.131
local terms energy: -266.304135
where:
bonds (distance) C4'-P energy: -59.107
bonds (distance) P-C4' energy: -43.959
flat angles C4'-P-C4' energy: -59.134
flat angles P-C4'-P energy: -46.331
tors. eta vs tors. theta energy: -57.772
Dist. restrs. and SS energy: 0.000 (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: 59
Temperature: 1.150000
Total energy: -770.529326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.529326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.529326 (E_RNA)
where:
Base-Base interactions energy: -512.121
where: short stacking energy: -233.336
Base-Backbone interact. energy: -1.542
local terms energy: -256.866121
where:
bonds (distance) C4'-P energy: -51.816
bonds (distance) P-C4' energy: -52.206
flat angles C4'-P-C4' energy: -56.646
flat angles P-C4'-P energy: -34.437
tors. eta vs tors. theta energy: -61.761
Dist. restrs. and SS energy: 0.000 (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: 59
Temperature: 1.200000
Total energy: -533.454462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.454462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.454462 (E_RNA)
where:
Base-Base interactions energy: -324.945
where: short stacking energy: -154.635
Base-Backbone interact. energy: 3.968
local terms energy: -212.477025
where:
bonds (distance) C4'-P energy: -48.461
bonds (distance) P-C4' energy: -59.657
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -34.785
tors. eta vs tors. theta energy: -20.507
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: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -567.297281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.297281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.297281 (E_RNA)
where:
Base-Base interactions energy: -366.132
where: short stacking energy: -151.629
Base-Backbone interact. energy: 0.222
local terms energy: -201.387333
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -48.241
flat angles C4'-P-C4' energy: -44.869
flat angles P-C4'-P energy: -37.911
tors. eta vs tors. theta energy: -21.940
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: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -518.215481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.215481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.215481 (E_RNA)
where:
Base-Base interactions energy: -331.504
where: short stacking energy: -155.231
Base-Backbone interact. energy: 3.811
local terms energy: -190.522405
where:
bonds (distance) C4'-P energy: -42.160
bonds (distance) P-C4' energy: -48.524
flat angles C4'-P-C4' energy: -32.996
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -32.211
Dist. restrs. and SS energy: 0.000 (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: 59
Temperature: 1.350000
Total energy: -438.946020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.946020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.946020 (E_RNA)
where:
Base-Base interactions energy: -255.792
where: short stacking energy: -139.757
Base-Backbone interact. energy: -1.333
local terms energy: -181.821659
where:
bonds (distance) C4'-P energy: -49.020
bonds (distance) P-C4' energy: -44.986
flat angles C4'-P-C4' energy: -41.989
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (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: 60
Temperature: 0.900000
Total energy: -1039.066137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.066137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.066137 (E_RNA)
where:
Base-Base interactions energy: -718.672
where: short stacking energy: -291.973
Base-Backbone interact. energy: -0.979
local terms energy: -319.414906
where:
bonds (distance) C4'-P energy: -58.724
bonds (distance) P-C4' energy: -64.423
flat angles C4'-P-C4' energy: -72.272
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -74.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -999.829806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.829806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.829806 (E_RNA)
where:
Base-Base interactions energy: -680.193
where: short stacking energy: -290.123
Base-Backbone interact. energy: -1.743
local terms energy: -317.893407
where:
bonds (distance) C4'-P energy: -59.426
bonds (distance) P-C4' energy: -57.818
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -45.758
tors. eta vs tors. theta energy: -81.483
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: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -931.850241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.850241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.850241 (E_RNA)
where:
Base-Base interactions energy: -632.784
where: short stacking energy: -289.632
Base-Backbone interact. energy: -0.354
local terms energy: -298.712176
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -48.654
flat angles C4'-P-C4' energy: -67.662
flat angles P-C4'-P energy: -42.507
tors. eta vs tors. theta energy: -88.600
Dist. restrs. and SS energy: 0.000 (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: 60
Temperature: 1.050000
Total energy: -859.297119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.297119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.297119 (E_RNA)
where:
Base-Base interactions energy: -580.966
where: short stacking energy: -245.689
Base-Backbone interact. energy: -1.473
local terms energy: -276.858107
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -54.081
flat angles C4'-P-C4' energy: -58.506
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: -69.327
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: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -829.145093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.145093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.145093 (E_RNA)
where:
Base-Base interactions energy: -563.095
where: short stacking energy: -248.038
Base-Backbone interact. energy: -1.318
local terms energy: -264.732155
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -49.255
flat angles C4'-P-C4' energy: -60.593
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: -58.789
Dist. restrs. and SS energy: 0.000 (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: 60
Temperature: 1.150000
Total energy: -783.968029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.968029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.968029 (E_RNA)
where:
Base-Base interactions energy: -520.782
where: short stacking energy: -226.720
Base-Backbone interact. energy: -1.529
local terms energy: -261.656336
where:
bonds (distance) C4'-P energy: -44.340
bonds (distance) P-C4' energy: -64.854
flat angles C4'-P-C4' energy: -49.267
flat angles P-C4'-P energy: -41.832
tors. eta vs tors. theta energy: -61.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -566.031147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.031147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.031147 (E_RNA)
where:
Base-Base interactions energy: -340.890
where: short stacking energy: -181.228
Base-Backbone interact. energy: -0.598
local terms energy: -224.542695
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -58.456
flat angles C4'-P-C4' energy: -49.363
flat angles P-C4'-P energy: -33.720
tors. eta vs tors. theta energy: -31.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -512.015789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.015789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.015789 (E_RNA)
where:
Base-Base interactions energy: -316.561
where: short stacking energy: -159.944
Base-Backbone interact. energy: 0.268
local terms energy: -195.723018
where:
bonds (distance) C4'-P energy: -46.638
bonds (distance) P-C4' energy: -49.718
flat angles C4'-P-C4' energy: -47.085
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -459.130655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.130655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.130655 (E_RNA)
where:
Base-Base interactions energy: -267.394
where: short stacking energy: -140.136
Base-Backbone interact. energy: 0.185
local terms energy: -191.921765
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -51.860
flat angles C4'-P-C4' energy: -44.601
flat angles P-C4'-P energy: -22.010
tors. eta vs tors. theta energy: -27.277
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: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -470.398187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.398187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.398187 (E_RNA)
where:
Base-Base interactions energy: -288.975
where: short stacking energy: -142.775
Base-Backbone interact. energy: -0.515
local terms energy: -180.908076
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -48.452
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -29.546
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1027.076988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.076988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.076988 (E_RNA)
where:
Base-Base interactions energy: -699.698
where: short stacking energy: -292.634
Base-Backbone interact. energy: -3.308
local terms energy: -324.070798
where:
bonds (distance) C4'-P energy: -66.524
bonds (distance) P-C4' energy: -67.824
flat angles C4'-P-C4' energy: -64.845
flat angles P-C4'-P energy: -46.039
tors. eta vs tors. theta energy: -78.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -991.411577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.411577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.411577 (E_RNA)
where:
Base-Base interactions energy: -686.471
where: short stacking energy: -298.740
Base-Backbone interact. energy: -0.702
local terms energy: -304.238325
where:
bonds (distance) C4'-P energy: -59.329
bonds (distance) P-C4' energy: -54.406
flat angles C4'-P-C4' energy: -70.783
flat angles P-C4'-P energy: -45.770
tors. eta vs tors. theta energy: -73.949
Dist. restrs. and SS energy: 0.000 (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: 61
Temperature: 1.000000
Total energy: -941.653078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.653078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.653078 (E_RNA)
where:
Base-Base interactions energy: -630.775
where: short stacking energy: -293.061
Base-Backbone interact. energy: -1.287
local terms energy: -309.591375
where:
bonds (distance) C4'-P energy: -58.689
bonds (distance) P-C4' energy: -53.529
flat angles C4'-P-C4' energy: -71.585
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: -80.916
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: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -859.232703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.232703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.232703 (E_RNA)
where:
Base-Base interactions energy: -593.049
where: short stacking energy: -249.734
Base-Backbone interact. energy: -0.009
local terms energy: -266.174626
where:
bonds (distance) C4'-P energy: -54.782
bonds (distance) P-C4' energy: -64.408
flat angles C4'-P-C4' energy: -49.975
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -58.557
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: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -828.511258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.511258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.511258 (E_RNA)
where:
Base-Base interactions energy: -561.146
where: short stacking energy: -253.709
Base-Backbone interact. energy: -0.767
local terms energy: -266.599004
where:
bonds (distance) C4'-P energy: -52.001
bonds (distance) P-C4' energy: -54.452
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: -54.528
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: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -747.676688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.676688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.676688 (E_RNA)
where:
Base-Base interactions energy: -497.674
where: short stacking energy: -219.643
Base-Backbone interact. energy: -0.948
local terms energy: -249.054670
where:
bonds (distance) C4'-P energy: -61.738
bonds (distance) P-C4' energy: -54.138
flat angles C4'-P-C4' energy: -50.399
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -56.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -558.927792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.927792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.927792 (E_RNA)
where:
Base-Base interactions energy: -331.110
where: short stacking energy: -186.125
Base-Backbone interact. energy: -0.514
local terms energy: -227.304054
where:
bonds (distance) C4'-P energy: -52.109
bonds (distance) P-C4' energy: -46.727
flat angles C4'-P-C4' energy: -52.408
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -42.324
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: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -486.318280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.318280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.318280 (E_RNA)
where:
Base-Base interactions energy: -275.189
where: short stacking energy: -141.689
Base-Backbone interact. energy: -1.106
local terms energy: -210.024027
where:
bonds (distance) C4'-P energy: -42.046
bonds (distance) P-C4' energy: -63.595
flat angles C4'-P-C4' energy: -49.778
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: -28.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -353.504167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.504167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.504167 (E_RNA)
where:
Base-Base interactions energy: -191.074
where: short stacking energy: -121.102
Base-Backbone interact. energy: 3.551
local terms energy: -165.981493
where:
bonds (distance) C4'-P energy: -52.524
bonds (distance) P-C4' energy: -53.302
flat angles C4'-P-C4' energy: -47.596
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: 1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -481.055532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.055532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.055532 (E_RNA)
where:
Base-Base interactions energy: -304.022
where: short stacking energy: -140.042
Base-Backbone interact. energy: 0.077
local terms energy: -177.110757
where:
bonds (distance) C4'-P energy: -45.666
bonds (distance) P-C4' energy: -42.881
flat angles C4'-P-C4' energy: -36.706
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1015.170421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.170421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.170421 (E_RNA)
where:
Base-Base interactions energy: -707.260
where: short stacking energy: -291.742
Base-Backbone interact. energy: -1.919
local terms energy: -305.991880
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -59.747
flat angles C4'-P-C4' energy: -63.597
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: -76.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1008.069438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.069438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.069438 (E_RNA)
where:
Base-Base interactions energy: -688.652
where: short stacking energy: -305.042
Base-Backbone interact. energy: -0.563
local terms energy: -318.853658
where:
bonds (distance) C4'-P energy: -58.657
bonds (distance) P-C4' energy: -66.881
flat angles C4'-P-C4' energy: -60.236
flat angles P-C4'-P energy: -48.957
tors. eta vs tors. theta energy: -84.122
Dist. restrs. and SS energy: 0.000 (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: 62
Temperature: 1.000000
Total energy: -918.509632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.509632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.509632 (E_RNA)
where:
Base-Base interactions energy: -603.564
where: short stacking energy: -297.385
Base-Backbone interact. energy: -0.182
local terms energy: -314.763572
where:
bonds (distance) C4'-P energy: -52.810
bonds (distance) P-C4' energy: -65.891
flat angles C4'-P-C4' energy: -62.909
flat angles P-C4'-P energy: -42.972
tors. eta vs tors. theta energy: -90.181
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: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -832.447650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.447650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.447650 (E_RNA)
where:
Base-Base interactions energy: -565.810
where: short stacking energy: -226.806
Base-Backbone interact. energy: -2.248
local terms energy: -264.389507
where:
bonds (distance) C4'-P energy: -52.839
bonds (distance) P-C4' energy: -56.564
flat angles C4'-P-C4' energy: -59.767
flat angles P-C4'-P energy: -33.438
tors. eta vs tors. theta energy: -61.781
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: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -872.114870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.114870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.114870 (E_RNA)
where:
Base-Base interactions energy: -596.779
where: short stacking energy: -265.163
Base-Backbone interact. energy: 2.946
local terms energy: -278.281118
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -41.185
tors. eta vs tors. theta energy: -67.883
Dist. restrs. and SS energy: 0.000 (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: 62
Temperature: 1.150000
Total energy: -756.199569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.199569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.199569 (E_RNA)
where:
Base-Base interactions energy: -491.337
where: short stacking energy: -247.950
Base-Backbone interact. energy: -0.333
local terms energy: -264.529122
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -62.740
flat angles C4'-P-C4' energy: -59.578
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -63.401
Dist. restrs. and SS energy: 0.000 (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: 62
Temperature: 1.200000
Total energy: -520.181743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.181743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.181743 (E_RNA)
where:
Base-Base interactions energy: -308.701
where: short stacking energy: -145.474
Base-Backbone interact. energy: -0.832
local terms energy: -210.648226
where:
bonds (distance) C4'-P energy: -61.144
bonds (distance) P-C4' energy: -50.179
flat angles C4'-P-C4' energy: -50.360
flat angles P-C4'-P energy: -35.394
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.000 (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: 62
Temperature: 1.250000
Total energy: -549.938300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.938300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.938300 (E_RNA)
where:
Base-Base interactions energy: -327.032
where: short stacking energy: -172.229
Base-Backbone interact. energy: -0.146
local terms energy: -222.759872
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -47.927
flat angles C4'-P-C4' energy: -52.659
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -30.011
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: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -562.758448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.758448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.758448 (E_RNA)
where:
Base-Base interactions energy: -354.594
where: short stacking energy: -162.840
Base-Backbone interact. energy: 0.771
local terms energy: -208.935164
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -42.966
flat angles C4'-P-C4' energy: -54.693
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -31.357
Dist. restrs. and SS energy: 0.000 (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: 62
Temperature: 1.350000
Total energy: -378.619600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.619600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.619600 (E_RNA)
where:
Base-Base interactions energy: -209.080
where: short stacking energy: -111.477
Base-Backbone interact. energy: 1.106
local terms energy: -170.646109
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -65.495
flat angles C4'-P-C4' energy: -34.880
flat angles P-C4'-P energy: -26.172
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (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: 63
Temperature: 0.900000
Total energy: -1019.734506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.734506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.734506 (E_RNA)
where:
Base-Base interactions energy: -706.006
where: short stacking energy: -296.661
Base-Backbone interact. energy: -1.963
local terms energy: -311.765464
where:
bonds (distance) C4'-P energy: -65.178
bonds (distance) P-C4' energy: -55.535
flat angles C4'-P-C4' energy: -66.648
flat angles P-C4'-P energy: -39.243
tors. eta vs tors. theta energy: -85.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1018.608743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.608743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.608743 (E_RNA)
where:
Base-Base interactions energy: -701.355
where: short stacking energy: -309.733
Base-Backbone interact. energy: -1.045
local terms energy: -316.208512
where:
bonds (distance) C4'-P energy: -58.200
bonds (distance) P-C4' energy: -56.336
flat angles C4'-P-C4' energy: -62.597
flat angles P-C4'-P energy: -49.507
tors. eta vs tors. theta energy: -89.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -893.489092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.489092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.489092 (E_RNA)
where:
Base-Base interactions energy: -601.217
where: short stacking energy: -272.465
Base-Backbone interact. energy: -0.526
local terms energy: -291.745540
where:
bonds (distance) C4'-P energy: -55.197
bonds (distance) P-C4' energy: -56.353
flat angles C4'-P-C4' energy: -64.126
flat angles P-C4'-P energy: -39.790
tors. eta vs tors. theta energy: -76.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -916.439670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.439670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.439670 (E_RNA)
where:
Base-Base interactions energy: -620.392
where: short stacking energy: -271.584
Base-Backbone interact. energy: -0.534
local terms energy: -295.513786
where:
bonds (distance) C4'-P energy: -57.622
bonds (distance) P-C4' energy: -62.611
flat angles C4'-P-C4' energy: -67.288
flat angles P-C4'-P energy: -41.112
tors. eta vs tors. theta energy: -66.881
Dist. restrs. and SS energy: 0.000 (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: 63
Temperature: 1.100000
Total energy: -788.619898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.619898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.619898 (E_RNA)
where:
Base-Base interactions energy: -536.569
where: short stacking energy: -240.610
Base-Backbone interact. energy: -0.728
local terms energy: -251.322104
where:
bonds (distance) C4'-P energy: -58.843
bonds (distance) P-C4' energy: -57.282
flat angles C4'-P-C4' energy: -45.200
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -60.570
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: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -736.012210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.012210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.012210 (E_RNA)
where:
Base-Base interactions energy: -486.131
where: short stacking energy: -224.796
Base-Backbone interact. energy: 1.275
local terms energy: -251.156102
where:
bonds (distance) C4'-P energy: -60.819
bonds (distance) P-C4' energy: -48.586
flat angles C4'-P-C4' energy: -54.398
flat angles P-C4'-P energy: -30.236
tors. eta vs tors. theta energy: -57.118
Dist. restrs. and SS energy: 0.000 (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: 63
Temperature: 1.200000
Total energy: -499.136284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.136284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.136284 (E_RNA)
where:
Base-Base interactions energy: -285.944
where: short stacking energy: -152.593
Base-Backbone interact. energy: -1.685
local terms energy: -211.506891
where:
bonds (distance) C4'-P energy: -56.717
bonds (distance) P-C4' energy: -48.846
flat angles C4'-P-C4' energy: -52.103
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -25.513
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: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -569.833880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.833880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.833880 (E_RNA)
where:
Base-Base interactions energy: -357.313
where: short stacking energy: -167.805
Base-Backbone interact. energy: 0.522
local terms energy: -213.042765
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -60.266
flat angles C4'-P-C4' energy: -52.245
flat angles P-C4'-P energy: -30.672
tors. eta vs tors. theta energy: -33.544
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: 9, replica: 7
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -518.466087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.466087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.466087 (E_RNA)
where:
Base-Base interactions energy: -313.215
where: short stacking energy: -151.784
Base-Backbone interact. energy: -0.851
local terms energy: -204.400304
where:
bonds (distance) C4'-P energy: -48.585
bonds (distance) P-C4' energy: -63.565
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -28.028
Dist. restrs. and SS energy: 0.000 (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: 63
Temperature: 1.350000
Total energy: -391.636696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.636696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.636696 (E_RNA)
where:
Base-Base interactions energy: -206.602
where: short stacking energy: -103.988
Base-Backbone interact. energy: -0.608
local terms energy: -184.427170
where:
bonds (distance) C4'-P energy: -47.825
bonds (distance) P-C4' energy: -64.782
flat angles C4'-P-C4' energy: -44.890
flat angles P-C4'-P energy: -24.038
tors. eta vs tors. theta energy: -2.893
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: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1034.280484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.280484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.280484 (E_RNA)
where:
Base-Base interactions energy: -725.920
where: short stacking energy: -291.660
Base-Backbone interact. energy: 1.110
local terms energy: -309.470587
where:
bonds (distance) C4'-P energy: -67.074
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -63.902
flat angles P-C4'-P energy: -47.775
tors. eta vs tors. theta energy: -71.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1011.896467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.896467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.896467 (E_RNA)
where:
Base-Base interactions energy: -699.566
where: short stacking energy: -286.616
Base-Backbone interact. energy: -0.802
local terms energy: -311.528714
where:
bonds (distance) C4'-P energy: -63.098
bonds (distance) P-C4' energy: -45.230
flat angles C4'-P-C4' energy: -67.223
flat angles P-C4'-P energy: -48.511
tors. eta vs tors. theta energy: -87.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -928.130582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.130582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.130582 (E_RNA)
where:
Base-Base interactions energy: -651.042
where: short stacking energy: -305.091
Base-Backbone interact. energy: -0.342
local terms energy: -276.746909
where:
bonds (distance) C4'-P energy: -44.289
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -63.581
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -81.349
Dist. restrs. and SS energy: 0.000 (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: 64
Temperature: 1.050000
Total energy: -871.583499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.583499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.583499 (E_RNA)
where:
Base-Base interactions energy: -579.572
where: short stacking energy: -267.047
Base-Backbone interact. energy: -0.922
local terms energy: -291.089538
where:
bonds (distance) C4'-P energy: -51.763
bonds (distance) P-C4' energy: -58.572
flat angles C4'-P-C4' energy: -63.130
flat angles P-C4'-P energy: -39.122
tors. eta vs tors. theta energy: -78.503
Dist. restrs. and SS energy: 0.000 (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: 64
Temperature: 1.100000
Total energy: -828.999409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.999409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.999409 (E_RNA)
where:
Base-Base interactions energy: -545.650
where: short stacking energy: -234.663
Base-Backbone interact. energy: -2.393
local terms energy: -280.956285
where:
bonds (distance) C4'-P energy: -60.283
bonds (distance) P-C4' energy: -57.831
flat angles C4'-P-C4' energy: -62.152
flat angles P-C4'-P energy: -39.509
tors. eta vs tors. theta energy: -61.181
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: 6, replica: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -751.865162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.865162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.865162 (E_RNA)
where:
Base-Base interactions energy: -486.969
where: short stacking energy: -235.904
Base-Backbone interact. energy: -0.939
local terms energy: -263.956693
where:
bonds (distance) C4'-P energy: -58.191
bonds (distance) P-C4' energy: -48.876
flat angles C4'-P-C4' energy: -62.958
flat angles P-C4'-P energy: -39.388
tors. eta vs tors. theta energy: -54.544
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: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -661.999769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.999769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.999769 (E_RNA)
where:
Base-Base interactions energy: -422.153
where: short stacking energy: -194.559
Base-Backbone interact. energy: -0.364
local terms energy: -239.483248
where:
bonds (distance) C4'-P energy: -51.767
bonds (distance) P-C4' energy: -45.143
flat angles C4'-P-C4' energy: -55.625
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -52.392
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: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -508.850405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.850405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.850405 (E_RNA)
where:
Base-Base interactions energy: -302.909
where: short stacking energy: -155.284
Base-Backbone interact. energy: 1.260
local terms energy: -207.201899
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -53.272
flat angles C4'-P-C4' energy: -54.123
flat angles P-C4'-P energy: -31.243
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -481.078337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.078337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.078337 (E_RNA)
where:
Base-Base interactions energy: -274.636
where: short stacking energy: -123.225
Base-Backbone interact. energy: -1.445
local terms energy: -204.998117
where:
bonds (distance) C4'-P energy: -51.783
bonds (distance) P-C4' energy: -61.349
flat angles C4'-P-C4' energy: -52.187
flat angles P-C4'-P energy: -29.713
tors. eta vs tors. theta energy: -9.966
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: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -348.451268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.451268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.451268 (E_RNA)
where:
Base-Base interactions energy: -173.893
where: short stacking energy: -115.848
Base-Backbone interact. energy: -0.638
local terms energy: -173.920369
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -5.865
Dist. restrs. and SS energy: 0.000 (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: 65
Temperature: 0.900000
Total energy: -1033.883379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.883379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.883379 (E_RNA)
where:
Base-Base interactions energy: -716.602
where: short stacking energy: -306.060
Base-Backbone interact. energy: -0.496
local terms energy: -316.785708
where:
bonds (distance) C4'-P energy: -49.135
bonds (distance) P-C4' energy: -64.027
flat angles C4'-P-C4' energy: -72.276
flat angles P-C4'-P energy: -45.565
tors. eta vs tors. theta energy: -85.782
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: 2, replica: 8
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1016.874940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.874940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.874940 (E_RNA)
where:
Base-Base interactions energy: -691.444
where: short stacking energy: -309.619
Base-Backbone interact. energy: -0.792
local terms energy: -324.638451
where:
bonds (distance) C4'-P energy: -61.185
bonds (distance) P-C4' energy: -62.898
flat angles C4'-P-C4' energy: -62.965
flat angles P-C4'-P energy: -51.081
tors. eta vs tors. theta energy: -86.510
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: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -938.332599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.332599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.332599 (E_RNA)
where:
Base-Base interactions energy: -626.323
where: short stacking energy: -276.701
Base-Backbone interact. energy: -0.453
local terms energy: -311.557509
where:
bonds (distance) C4'-P energy: -46.854
bonds (distance) P-C4' energy: -69.178
flat angles C4'-P-C4' energy: -65.692
flat angles P-C4'-P energy: -51.092
tors. eta vs tors. theta energy: -78.742
Dist. restrs. and SS energy: 0.000 (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: 65
Temperature: 1.050000
Total energy: -907.725932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.725932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.725932 (E_RNA)
where:
Base-Base interactions energy: -626.450
where: short stacking energy: -271.242
Base-Backbone interact. energy: -1.847
local terms energy: -279.429722
where:
bonds (distance) C4'-P energy: -52.334
bonds (distance) P-C4' energy: -54.631
flat angles C4'-P-C4' energy: -59.162
flat angles P-C4'-P energy: -31.916
tors. eta vs tors. theta energy: -81.386
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: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -816.458580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.458580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.458580 (E_RNA)
where:
Base-Base interactions energy: -531.951
where: short stacking energy: -233.255
Base-Backbone interact. energy: -1.884
local terms energy: -282.623509
where:
bonds (distance) C4'-P energy: -56.774
bonds (distance) P-C4' energy: -62.764
flat angles C4'-P-C4' energy: -59.819
flat angles P-C4'-P energy: -40.188
tors. eta vs tors. theta energy: -63.078
Dist. restrs. and SS energy: 0.000 (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: 65
Temperature: 1.150000
Total energy: -730.861603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.861603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.861603 (E_RNA)
where:
Base-Base interactions energy: -489.287
where: short stacking energy: -219.005
Base-Backbone interact. energy: 0.377
local terms energy: -241.951106
where:
bonds (distance) C4'-P energy: -48.367
bonds (distance) P-C4' energy: -53.275
flat angles C4'-P-C4' energy: -46.053
flat angles P-C4'-P energy: -34.496
tors. eta vs tors. theta energy: -59.760
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: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -647.127835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.127835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.127835 (E_RNA)
where:
Base-Base interactions energy: -412.569
where: short stacking energy: -185.781
Base-Backbone interact. energy: -1.155
local terms energy: -233.403779
where:
bonds (distance) C4'-P energy: -56.334
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -47.864
flat angles P-C4'-P energy: -36.081
tors. eta vs tors. theta energy: -37.419
Dist. restrs. and SS energy: 0.000 (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: 65
Temperature: 1.250000
Total energy: -528.804706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.804706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.804706 (E_RNA)
where:
Base-Base interactions energy: -316.131
where: short stacking energy: -148.260
Base-Backbone interact. energy: -1.142
local terms energy: -211.531639
where:
bonds (distance) C4'-P energy: -45.014
bonds (distance) P-C4' energy: -56.041
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -29.365
tors. eta vs tors. theta energy: -21.899
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: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -519.352647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.352647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.352647 (E_RNA)
where:
Base-Base interactions energy: -327.441
where: short stacking energy: -154.780
Base-Backbone interact. energy: -1.334
local terms energy: -190.577931
where:
bonds (distance) C4'-P energy: -39.183
bonds (distance) P-C4' energy: -52.924
flat angles C4'-P-C4' energy: -46.938
flat angles P-C4'-P energy: -26.408
tors. eta vs tors. theta energy: -25.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -329.116938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.116938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.116938 (E_RNA)
where:
Base-Base interactions energy: -160.233
where: short stacking energy: -74.415
Base-Backbone interact. energy: -2.489
local terms energy: -166.395548
where:
bonds (distance) C4'-P energy: -55.478
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -50.695
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: 6.477
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: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1040.782048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.782048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.782048 (E_RNA)
where:
Base-Base interactions energy: -716.171
where: short stacking energy: -309.782
Base-Backbone interact. energy: -1.363
local terms energy: -323.247694
where:
bonds (distance) C4'-P energy: -65.323
bonds (distance) P-C4' energy: -58.665
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -38.807
tors. eta vs tors. theta energy: -87.044
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: 2, replica: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1006.114054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.114054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.114054 (E_RNA)
where:
Base-Base interactions energy: -683.348
where: short stacking energy: -292.335
Base-Backbone interact. energy: -0.502
local terms energy: -322.264096
where:
bonds (distance) C4'-P energy: -60.499
bonds (distance) P-C4' energy: -63.471
flat angles C4'-P-C4' energy: -72.225
flat angles P-C4'-P energy: -45.903
tors. eta vs tors. theta energy: -80.165
Dist. restrs. and SS energy: 0.000 (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: 66
Temperature: 1.000000
Total energy: -950.673176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.673176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.673176 (E_RNA)
where:
Base-Base interactions energy: -638.896
where: short stacking energy: -288.198
Base-Backbone interact. energy: 2.568
local terms energy: -314.345477
where:
bonds (distance) C4'-P energy: -62.346
bonds (distance) P-C4' energy: -59.007
flat angles C4'-P-C4' energy: -65.571
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: -77.717
Dist. restrs. and SS energy: 0.000 (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: 66
Temperature: 1.050000
Total energy: -883.648828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.648828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.648828 (E_RNA)
where:
Base-Base interactions energy: -599.214
where: short stacking energy: -279.468
Base-Backbone interact. energy: -1.409
local terms energy: -283.026295
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -49.031
flat angles C4'-P-C4' energy: -62.255
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -85.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -810.741915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.741915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.741915 (E_RNA)
where:
Base-Base interactions energy: -553.511
where: short stacking energy: -246.991
Base-Backbone interact. energy: 0.625
local terms energy: -257.855465
where:
bonds (distance) C4'-P energy: -40.018
bonds (distance) P-C4' energy: -57.591
flat angles C4'-P-C4' energy: -54.677
flat angles P-C4'-P energy: -40.387
tors. eta vs tors. theta energy: -65.183
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: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -760.539472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.539472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.539472 (E_RNA)
where:
Base-Base interactions energy: -487.199
where: short stacking energy: -207.436
Base-Backbone interact. energy: 1.114
local terms energy: -274.454504
where:
bonds (distance) C4'-P energy: -59.484
bonds (distance) P-C4' energy: -61.873
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -38.017
tors. eta vs tors. theta energy: -58.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -654.699613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.699613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.699613 (E_RNA)
where:
Base-Base interactions energy: -413.603
where: short stacking energy: -187.883
Base-Backbone interact. energy: -0.221
local terms energy: -240.876132
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -55.942
flat angles C4'-P-C4' energy: -54.939
flat angles P-C4'-P energy: -39.137
tors. eta vs tors. theta energy: -40.425
Dist. restrs. and SS energy: 0.000 (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: 66
Temperature: 1.250000
Total energy: -540.679279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.679279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.679279 (E_RNA)
where:
Base-Base interactions energy: -318.984
where: short stacking energy: -160.534
Base-Backbone interact. energy: 3.465
local terms energy: -225.160464
where:
bonds (distance) C4'-P energy: -48.081
bonds (distance) P-C4' energy: -60.461
flat angles C4'-P-C4' energy: -46.067
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: -29.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -495.161151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.161151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.161151 (E_RNA)
where:
Base-Base interactions energy: -317.441
where: short stacking energy: -141.606
Base-Backbone interact. energy: 3.927
local terms energy: -181.647014
where:
bonds (distance) C4'-P energy: -44.705
bonds (distance) P-C4' energy: -43.732
flat angles C4'-P-C4' energy: -56.011
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -6.515
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: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -357.480712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.480712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.480712 (E_RNA)
where:
Base-Base interactions energy: -185.965
where: short stacking energy: -108.579
Base-Backbone interact. energy: -1.049
local terms energy: -170.467125
where:
bonds (distance) C4'-P energy: -51.536
bonds (distance) P-C4' energy: -44.718
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: 0.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1031.782406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.782406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.782406 (E_RNA)
where:
Base-Base interactions energy: -712.080
where: short stacking energy: -308.681
Base-Backbone interact. energy: -0.637
local terms energy: -319.065253
where:
bonds (distance) C4'-P energy: -62.900
bonds (distance) P-C4' energy: -53.380
flat angles C4'-P-C4' energy: -76.293
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: -79.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1010.385230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.385230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.385230 (E_RNA)
where:
Base-Base interactions energy: -698.449
where: short stacking energy: -296.386
Base-Backbone interact. energy: -1.010
local terms energy: -310.926126
where:
bonds (distance) C4'-P energy: -55.482
bonds (distance) P-C4' energy: -58.356
flat angles C4'-P-C4' energy: -60.874
flat angles P-C4'-P energy: -52.520
tors. eta vs tors. theta energy: -83.694
Dist. restrs. and SS energy: 0.000 (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: 67
Temperature: 1.000000
Total energy: -912.322343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.322343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.322343 (E_RNA)
where:
Base-Base interactions energy: -613.302
where: short stacking energy: -276.736
Base-Backbone interact. energy: -0.599
local terms energy: -298.421313
where:
bonds (distance) C4'-P energy: -61.182
bonds (distance) P-C4' energy: -55.223
flat angles C4'-P-C4' energy: -56.837
flat angles P-C4'-P energy: -47.824
tors. eta vs tors. theta energy: -77.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -873.310595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.310595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.310595 (E_RNA)
where:
Base-Base interactions energy: -589.674
where: short stacking energy: -258.637
Base-Backbone interact. energy: -0.757
local terms energy: -282.879708
where:
bonds (distance) C4'-P energy: -54.049
bonds (distance) P-C4' energy: -62.876
flat angles C4'-P-C4' energy: -65.870
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -72.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -834.945709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.945709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.945709 (E_RNA)
where:
Base-Base interactions energy: -543.466
where: short stacking energy: -225.446
Base-Backbone interact. energy: -0.315
local terms energy: -291.164649
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -60.267
flat angles C4'-P-C4' energy: -63.339
flat angles P-C4'-P energy: -43.587
tors. eta vs tors. theta energy: -65.387
Dist. restrs. and SS energy: 0.000 (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: 67
Temperature: 1.150000
Total energy: -710.088606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.088606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.088606 (E_RNA)
where:
Base-Base interactions energy: -452.795
where: short stacking energy: -203.511
Base-Backbone interact. energy: -1.661
local terms energy: -255.632862
where:
bonds (distance) C4'-P energy: -44.521
bonds (distance) P-C4' energy: -63.685
flat angles C4'-P-C4' energy: -68.539
flat angles P-C4'-P energy: -32.696
tors. eta vs tors. theta energy: -46.192
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: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -657.956180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.956180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.956180 (E_RNA)
where:
Base-Base interactions energy: -421.478
where: short stacking energy: -213.215
Base-Backbone interact. energy: -0.302
local terms energy: -236.176571
where:
bonds (distance) C4'-P energy: -48.339
bonds (distance) P-C4' energy: -51.107
flat angles C4'-P-C4' energy: -51.037
flat angles P-C4'-P energy: -31.089
tors. eta vs tors. theta energy: -54.604
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: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -554.522417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.522417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.522417 (E_RNA)
where:
Base-Base interactions energy: -339.442
where: short stacking energy: -164.498
Base-Backbone interact. energy: 0.768
local terms energy: -215.848273
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -49.539
flat angles C4'-P-C4' energy: -46.961
flat angles P-C4'-P energy: -35.097
tors. eta vs tors. theta energy: -31.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -420.357876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.357876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.357876 (E_RNA)
where:
Base-Base interactions energy: -235.904
where: short stacking energy: -124.908
Base-Backbone interact. energy: -1.611
local terms energy: -182.843662
where:
bonds (distance) C4'-P energy: -36.107
bonds (distance) P-C4' energy: -42.463
flat angles C4'-P-C4' energy: -56.418
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (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: 67
Temperature: 1.350000
Total energy: -381.298726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.298726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.298726 (E_RNA)
where:
Base-Base interactions energy: -182.504
where: short stacking energy: -120.028
Base-Backbone interact. energy: -0.624
local terms energy: -198.170996
where:
bonds (distance) C4'-P energy: -48.554
bonds (distance) P-C4' energy: -56.395
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -11.181
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: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1036.010459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.010459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.010459 (E_RNA)
where:
Base-Base interactions energy: -699.128
where: short stacking energy: -299.491
Base-Backbone interact. energy: -2.340
local terms energy: -334.542814
where:
bonds (distance) C4'-P energy: -62.543
bonds (distance) P-C4' energy: -61.616
flat angles C4'-P-C4' energy: -70.535
flat angles P-C4'-P energy: -51.036
tors. eta vs tors. theta energy: -88.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1001.964098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.964098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.964098 (E_RNA)
where:
Base-Base interactions energy: -688.289
where: short stacking energy: -296.770
Base-Backbone interact. energy: -1.553
local terms energy: -312.121922
where:
bonds (distance) C4'-P energy: -62.447
bonds (distance) P-C4' energy: -59.761
flat angles C4'-P-C4' energy: -66.603
flat angles P-C4'-P energy: -41.285
tors. eta vs tors. theta energy: -82.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -943.049708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.049708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.049708 (E_RNA)
where:
Base-Base interactions energy: -642.686
where: short stacking energy: -281.663
Base-Backbone interact. energy: -3.156
local terms energy: -297.208100
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -53.880
flat angles C4'-P-C4' energy: -67.578
flat angles P-C4'-P energy: -50.046
tors. eta vs tors. theta energy: -81.160
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: 68
Temperature: 1.050000
Total energy: -898.256737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.256737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.256737 (E_RNA)
where:
Base-Base interactions energy: -612.038
where: short stacking energy: -281.139
Base-Backbone interact. energy: -2.243
local terms energy: -283.975748
where:
bonds (distance) C4'-P energy: -53.210
bonds (distance) P-C4' energy: -54.357
flat angles C4'-P-C4' energy: -67.041
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -69.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -878.967755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.967755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.967755 (E_RNA)
where:
Base-Base interactions energy: -598.274
where: short stacking energy: -272.571
Base-Backbone interact. energy: -0.893
local terms energy: -279.800682
where:
bonds (distance) C4'-P energy: -58.545
bonds (distance) P-C4' energy: -58.881
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -35.930
tors. eta vs tors. theta energy: -64.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -722.112139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.112139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.112139 (E_RNA)
where:
Base-Base interactions energy: -460.205
where: short stacking energy: -216.574
Base-Backbone interact. energy: -1.146
local terms energy: -260.761956
where:
bonds (distance) C4'-P energy: -60.084
bonds (distance) P-C4' energy: -50.472
flat angles C4'-P-C4' energy: -49.485
flat angles P-C4'-P energy: -45.788
tors. eta vs tors. theta energy: -54.934
Dist. restrs. and SS energy: 0.000 (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: 68
Temperature: 1.200000
Total energy: -676.548719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.548719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.548719 (E_RNA)
where:
Base-Base interactions energy: -432.991
where: short stacking energy: -210.291
Base-Backbone interact. energy: -2.801
local terms energy: -240.756870
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -56.881
flat angles C4'-P-C4' energy: -57.666
flat angles P-C4'-P energy: -32.882
tors. eta vs tors. theta energy: -55.927
Dist. restrs. and SS energy: 0.000 (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: 68
Temperature: 1.250000
Total energy: -504.916453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.916453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.916453 (E_RNA)
where:
Base-Base interactions energy: -283.414
where: short stacking energy: -146.469
Base-Backbone interact. energy: 3.410
local terms energy: -224.912496
where:
bonds (distance) C4'-P energy: -44.800
bonds (distance) P-C4' energy: -63.521
flat angles C4'-P-C4' energy: -54.125
flat angles P-C4'-P energy: -38.924
tors. eta vs tors. theta energy: -23.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -483.711691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.711691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.711691 (E_RNA)
where:
Base-Base interactions energy: -288.289
where: short stacking energy: -133.032
Base-Backbone interact. energy: 3.185
local terms energy: -198.608285
where:
bonds (distance) C4'-P energy: -48.548
bonds (distance) P-C4' energy: -51.027
flat angles C4'-P-C4' energy: -52.623
flat angles P-C4'-P energy: -28.118
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -326.710507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.710507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.710507 (E_RNA)
where:
Base-Base interactions energy: -171.169
where: short stacking energy: -92.950
Base-Backbone interact. energy: -1.984
local terms energy: -153.558218
where:
bonds (distance) C4'-P energy: -47.800
bonds (distance) P-C4' energy: -46.800
flat angles C4'-P-C4' energy: -42.023
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: 6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1033.754262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.754262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.754262 (E_RNA)
where:
Base-Base interactions energy: -719.363
where: short stacking energy: -298.547
Base-Backbone interact. energy: 3.390
local terms energy: -317.780774
where:
bonds (distance) C4'-P energy: -54.289
bonds (distance) P-C4' energy: -62.751
flat angles C4'-P-C4' energy: -66.633
flat angles P-C4'-P energy: -48.025
tors. eta vs tors. theta energy: -86.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1011.107286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.107286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.107286 (E_RNA)
where:
Base-Base interactions energy: -689.388
where: short stacking energy: -299.316
Base-Backbone interact. energy: -0.127
local terms energy: -321.592662
where:
bonds (distance) C4'-P energy: -59.603
bonds (distance) P-C4' energy: -56.326
flat angles C4'-P-C4' energy: -64.748
flat angles P-C4'-P energy: -52.258
tors. eta vs tors. theta energy: -88.658
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: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -932.581246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.581246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.581246 (E_RNA)
where:
Base-Base interactions energy: -622.197
where: short stacking energy: -281.525
Base-Backbone interact. energy: -1.469
local terms energy: -308.914774
where:
bonds (distance) C4'-P energy: -57.924
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -66.934
flat angles P-C4'-P energy: -48.039
tors. eta vs tors. theta energy: -81.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -902.300261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.300261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.300261 (E_RNA)
where:
Base-Base interactions energy: -639.069
where: short stacking energy: -256.202
Base-Backbone interact. energy: 0.280
local terms energy: -263.510976
where:
bonds (distance) C4'-P energy: -52.017
bonds (distance) P-C4' energy: -58.853
flat angles C4'-P-C4' energy: -53.899
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -60.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -889.771244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.771244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.771244 (E_RNA)
where:
Base-Base interactions energy: -582.658
where: short stacking energy: -282.623
Base-Backbone interact. energy: 1.620
local terms energy: -308.733272
where:
bonds (distance) C4'-P energy: -50.988
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -66.508
flat angles P-C4'-P energy: -44.213
tors. eta vs tors. theta energy: -82.891
Dist. restrs. and SS energy: 0.000 (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: 69
Temperature: 1.150000
Total energy: -754.339936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.339936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.339936 (E_RNA)
where:
Base-Base interactions energy: -499.169
where: short stacking energy: -234.975
Base-Backbone interact. energy: 0.146
local terms energy: -255.317225
where:
bonds (distance) C4'-P energy: -51.218
bonds (distance) P-C4' energy: -56.629
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -30.778
tors. eta vs tors. theta energy: -54.276
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: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -685.234305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.234305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.234305 (E_RNA)
where:
Base-Base interactions energy: -455.598
where: short stacking energy: -219.130
Base-Backbone interact. energy: 3.101
local terms energy: -232.738020
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -42.074
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -29.655
tors. eta vs tors. theta energy: -50.314
Dist. restrs. and SS energy: 0.000 (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: 69
Temperature: 1.250000
Total energy: -556.587357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.587357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.587357 (E_RNA)
where:
Base-Base interactions energy: -339.542
where: short stacking energy: -174.565
Base-Backbone interact. energy: 0.876
local terms energy: -217.922125
where:
bonds (distance) C4'-P energy: -49.726
bonds (distance) P-C4' energy: -59.751
flat angles C4'-P-C4' energy: -47.953
flat angles P-C4'-P energy: -33.679
tors. eta vs tors. theta energy: -26.814
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: 9, replica: 7
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -482.529994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.529994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.529994 (E_RNA)
where:
Base-Base interactions energy: -294.407
where: short stacking energy: -147.027
Base-Backbone interact. energy: -2.567
local terms energy: -185.555935
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -48.595
flat angles C4'-P-C4' energy: -46.695
flat angles P-C4'-P energy: -32.153
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -349.439336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.439336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.439336 (E_RNA)
where:
Base-Base interactions energy: -196.771
where: short stacking energy: -94.322
Base-Backbone interact. energy: 0.562
local terms energy: -153.229736
where:
bonds (distance) C4'-P energy: -48.995
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -38.344
flat angles P-C4'-P energy: -27.151
tors. eta vs tors. theta energy: 8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1046.350080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.350080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.350080 (E_RNA)
where:
Base-Base interactions energy: -731.672
where: short stacking energy: -317.853
Base-Backbone interact. energy: -2.869
local terms energy: -311.808716
where:
bonds (distance) C4'-P energy: -54.321
bonds (distance) P-C4' energy: -60.713
flat angles C4'-P-C4' energy: -67.506
flat angles P-C4'-P energy: -41.631
tors. eta vs tors. theta energy: -87.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1010.644697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.644697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.644697 (E_RNA)
where:
Base-Base interactions energy: -695.168
where: short stacking energy: -298.805
Base-Backbone interact. energy: -1.820
local terms energy: -313.657128
where:
bonds (distance) C4'-P energy: -65.938
bonds (distance) P-C4' energy: -54.729
flat angles C4'-P-C4' energy: -65.099
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -85.747
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: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -945.110800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.110800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.110800 (E_RNA)
where:
Base-Base interactions energy: -626.370
where: short stacking energy: -287.476
Base-Backbone interact. energy: 0.023
local terms energy: -318.764015
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -58.107
flat angles C4'-P-C4' energy: -66.671
flat angles P-C4'-P energy: -53.606
tors. eta vs tors. theta energy: -84.610
Dist. restrs. and SS energy: 0.000 (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: 70
Temperature: 1.050000
Total energy: -887.039004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.039004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.039004 (E_RNA)
where:
Base-Base interactions energy: -598.435
where: short stacking energy: -245.982
Base-Backbone interact. energy: -2.654
local terms energy: -285.950220
where:
bonds (distance) C4'-P energy: -60.228
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -55.700
flat angles P-C4'-P energy: -47.620
tors. eta vs tors. theta energy: -67.778
Dist. restrs. and SS energy: 0.000 (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: 70
Temperature: 1.100000
Total energy: -831.915726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.915726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.915726 (E_RNA)
where:
Base-Base interactions energy: -531.815
where: short stacking energy: -247.203
Base-Backbone interact. energy: -0.825
local terms energy: -299.275377
where:
bonds (distance) C4'-P energy: -55.225
bonds (distance) P-C4' energy: -56.255
flat angles C4'-P-C4' energy: -67.431
flat angles P-C4'-P energy: -49.065
tors. eta vs tors. theta energy: -71.299
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: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -701.834201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.834201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.834201 (E_RNA)
where:
Base-Base interactions energy: -461.254
where: short stacking energy: -222.517
Base-Backbone interact. energy: -0.196
local terms energy: -240.384224
where:
bonds (distance) C4'-P energy: -48.017
bonds (distance) P-C4' energy: -52.594
flat angles C4'-P-C4' energy: -57.180
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -47.841
Dist. restrs. and SS energy: 0.000 (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: 70
Temperature: 1.200000
Total energy: -673.876136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.876136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.876136 (E_RNA)
where:
Base-Base interactions energy: -433.159
where: short stacking energy: -186.759
Base-Backbone interact. energy: -0.996
local terms energy: -239.721166
where:
bonds (distance) C4'-P energy: -37.348
bonds (distance) P-C4' energy: -57.731
flat angles C4'-P-C4' energy: -51.956
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -51.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -548.605857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.605857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.605857 (E_RNA)
where:
Base-Base interactions energy: -347.866
where: short stacking energy: -166.413
Base-Backbone interact. energy: 1.058
local terms energy: -201.798335
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -61.014
flat angles C4'-P-C4' energy: -50.266
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -522.479595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.479595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.479595 (E_RNA)
where:
Base-Base interactions energy: -303.586
where: short stacking energy: -154.108
Base-Backbone interact. energy: -1.180
local terms energy: -217.713382
where:
bonds (distance) C4'-P energy: -49.632
bonds (distance) P-C4' energy: -55.889
flat angles C4'-P-C4' energy: -54.961
flat angles P-C4'-P energy: -36.726
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -382.282242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.282242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.282242 (E_RNA)
where:
Base-Base interactions energy: -208.231
where: short stacking energy: -114.051
Base-Backbone interact. energy: 2.115
local terms energy: -176.165409
where:
bonds (distance) C4'-P energy: -43.610
bonds (distance) P-C4' energy: -51.466
flat angles C4'-P-C4' energy: -47.907
flat angles P-C4'-P energy: -27.667
tors. eta vs tors. theta energy: -5.515
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: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1057.933408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.933408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.933408 (E_RNA)
where:
Base-Base interactions energy: -724.969
where: short stacking energy: -305.548
Base-Backbone interact. energy: -2.052
local terms energy: -330.912675
where:
bonds (distance) C4'-P energy: -64.805
bonds (distance) P-C4' energy: -65.009
flat angles C4'-P-C4' energy: -70.392
flat angles P-C4'-P energy: -46.606
tors. eta vs tors. theta energy: -84.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1006.379463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.379463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.379463 (E_RNA)
where:
Base-Base interactions energy: -700.948
where: short stacking energy: -298.041
Base-Backbone interact. energy: -1.636
local terms energy: -303.794984
where:
bonds (distance) C4'-P energy: -60.089
bonds (distance) P-C4' energy: -59.824
flat angles C4'-P-C4' energy: -57.412
flat angles P-C4'-P energy: -42.384
tors. eta vs tors. theta energy: -84.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -969.087610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.087610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.087610 (E_RNA)
where:
Base-Base interactions energy: -675.363
where: short stacking energy: -309.875
Base-Backbone interact. energy: -1.440
local terms energy: -292.284599
where:
bonds (distance) C4'-P energy: -45.688
bonds (distance) P-C4' energy: -58.658
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -47.171
tors. eta vs tors. theta energy: -79.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -883.518351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.518351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.518351 (E_RNA)
where:
Base-Base interactions energy: -607.477
where: short stacking energy: -268.153
Base-Backbone interact. energy: -0.836
local terms energy: -275.205778
where:
bonds (distance) C4'-P energy: -57.693
bonds (distance) P-C4' energy: -59.452
flat angles C4'-P-C4' energy: -60.504
flat angles P-C4'-P energy: -26.530
tors. eta vs tors. theta energy: -71.027
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: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -839.961936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.961936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.961936 (E_RNA)
where:
Base-Base interactions energy: -553.731
where: short stacking energy: -256.364
Base-Backbone interact. energy: 0.243
local terms energy: -286.473647
where:
bonds (distance) C4'-P energy: -54.142
bonds (distance) P-C4' energy: -54.854
flat angles C4'-P-C4' energy: -58.204
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -80.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -707.724993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.724993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.724993 (E_RNA)
where:
Base-Base interactions energy: -449.868
where: short stacking energy: -203.769
Base-Backbone interact. energy: -0.720
local terms energy: -257.136703
where:
bonds (distance) C4'-P energy: -49.305
bonds (distance) P-C4' energy: -61.896
flat angles C4'-P-C4' energy: -49.111
flat angles P-C4'-P energy: -44.772
tors. eta vs tors. theta energy: -52.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -664.817662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.817662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.817662 (E_RNA)
where:
Base-Base interactions energy: -430.154
where: short stacking energy: -198.069
Base-Backbone interact. energy: 0.004
local terms energy: -234.667770
where:
bonds (distance) C4'-P energy: -47.277
bonds (distance) P-C4' energy: -55.666
flat angles C4'-P-C4' energy: -50.462
flat angles P-C4'-P energy: -35.105
tors. eta vs tors. theta energy: -46.158
Dist. restrs. and SS energy: 0.000 (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: 71
Temperature: 1.250000
Total energy: -540.578780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.578780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.578780 (E_RNA)
where:
Base-Base interactions energy: -322.480
where: short stacking energy: -156.587
Base-Backbone interact. energy: -1.329
local terms energy: -216.770092
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -66.443
flat angles C4'-P-C4' energy: -44.356
flat angles P-C4'-P energy: -33.907
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (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: 71
Temperature: 1.300000
Total energy: -486.223274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.223274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.223274 (E_RNA)
where:
Base-Base interactions energy: -293.645
where: short stacking energy: -132.057
Base-Backbone interact. energy: -2.358
local terms energy: -190.220183
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -47.555
flat angles C4'-P-C4' energy: -47.009
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -373.118902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.118902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.118902 (E_RNA)
where:
Base-Base interactions energy: -213.687
where: short stacking energy: -106.564
Base-Backbone interact. energy: -0.986
local terms energy: -158.445638
where:
bonds (distance) C4'-P energy: -48.051
bonds (distance) P-C4' energy: -44.955
flat angles C4'-P-C4' energy: -30.028
flat angles P-C4'-P energy: -21.553
tors. eta vs tors. theta energy: -13.858
Dist. restrs. and SS energy: 0.000 (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: 72
Temperature: 0.900000
Total energy: -1039.202845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.202845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.202845 (E_RNA)
where:
Base-Base interactions energy: -729.039
where: short stacking energy: -308.158
Base-Backbone interact. energy: 0.921
local terms energy: -311.084594
where:
bonds (distance) C4'-P energy: -62.077
bonds (distance) P-C4' energy: -57.315
flat angles C4'-P-C4' energy: -60.708
flat angles P-C4'-P energy: -46.716
tors. eta vs tors. theta energy: -84.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1003.587464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.587464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.587464 (E_RNA)
where:
Base-Base interactions energy: -670.491
where: short stacking energy: -287.191
Base-Backbone interact. energy: -0.504
local terms energy: -332.592630
where:
bonds (distance) C4'-P energy: -63.233
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -69.180
flat angles P-C4'-P energy: -54.173
tors. eta vs tors. theta energy: -82.004
Dist. restrs. and SS energy: 0.000 (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: 72
Temperature: 1.000000
Total energy: -940.458642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.458642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.458642 (E_RNA)
where:
Base-Base interactions energy: -619.866
where: short stacking energy: -276.028
Base-Backbone interact. energy: -1.159
local terms energy: -319.433121
where:
bonds (distance) C4'-P energy: -57.149
bonds (distance) P-C4' energy: -67.364
flat angles C4'-P-C4' energy: -74.266
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -78.010
Dist. restrs. and SS energy: 0.000 (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: 72
Temperature: 1.050000
Total energy: -896.528321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.528321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.528321 (E_RNA)
where:
Base-Base interactions energy: -616.757
where: short stacking energy: -272.873
Base-Backbone interact. energy: -1.744
local terms energy: -278.027066
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -57.281
flat angles C4'-P-C4' energy: -53.518
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -76.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -832.021401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.021401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.021401 (E_RNA)
where:
Base-Base interactions energy: -556.910
where: short stacking energy: -249.572
Base-Backbone interact. energy: -1.175
local terms energy: -273.936213
where:
bonds (distance) C4'-P energy: -51.460
bonds (distance) P-C4' energy: -48.215
flat angles C4'-P-C4' energy: -63.604
flat angles P-C4'-P energy: -39.804
tors. eta vs tors. theta energy: -70.853
Dist. restrs. and SS energy: 0.000 (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: 72
Temperature: 1.150000
Total energy: -714.960979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.960979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.960979 (E_RNA)
where:
Base-Base interactions energy: -476.306
where: short stacking energy: -206.269
Base-Backbone interact. energy: -1.061
local terms energy: -237.593192
where:
bonds (distance) C4'-P energy: -49.092
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -57.897
flat angles P-C4'-P energy: -29.718
tors. eta vs tors. theta energy: -47.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -663.334253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.334253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.334253 (E_RNA)
where:
Base-Base interactions energy: -417.057
where: short stacking energy: -201.804
Base-Backbone interact. energy: -0.094
local terms energy: -246.183731
where:
bonds (distance) C4'-P energy: -48.313
bonds (distance) P-C4' energy: -55.805
flat angles C4'-P-C4' energy: -55.700
flat angles P-C4'-P energy: -38.977
tors. eta vs tors. theta energy: -47.388
Dist. restrs. and SS energy: 0.000 (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: 72
Temperature: 1.250000
Total energy: -561.133365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.133365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.133365 (E_RNA)
where:
Base-Base interactions energy: -342.959
where: short stacking energy: -166.125
Base-Backbone interact. energy: -0.887
local terms energy: -217.288053
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -61.692
flat angles C4'-P-C4' energy: -44.437
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: -25.988
Dist. restrs. and SS energy: 0.000 (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: 72
Temperature: 1.300000
Total energy: -482.187663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.187663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.187663 (E_RNA)
where:
Base-Base interactions energy: -295.135
where: short stacking energy: -135.469
Base-Backbone interact. energy: 6.343
local terms energy: -193.395753
where:
bonds (distance) C4'-P energy: -51.715
bonds (distance) P-C4' energy: -49.093
flat angles C4'-P-C4' energy: -32.368
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -24.315
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: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -331.025666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.025666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.025666 (E_RNA)
where:
Base-Base interactions energy: -156.709
where: short stacking energy: -92.420
Base-Backbone interact. energy: -1.565
local terms energy: -172.751989
where:
bonds (distance) C4'-P energy: -46.170
bonds (distance) P-C4' energy: -43.870
flat angles C4'-P-C4' energy: -55.017
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -6.784
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: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1054.545357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.545357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.545357 (E_RNA)
where:
Base-Base interactions energy: -721.367
where: short stacking energy: -308.909
Base-Backbone interact. energy: -2.067
local terms energy: -331.110558
where:
bonds (distance) C4'-P energy: -61.298
bonds (distance) P-C4' energy: -67.685
flat angles C4'-P-C4' energy: -65.693
flat angles P-C4'-P energy: -50.708
tors. eta vs tors. theta energy: -85.727
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: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -995.998803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.998803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.998803 (E_RNA)
where:
Base-Base interactions energy: -678.362
where: short stacking energy: -288.506
Base-Backbone interact. energy: -1.670
local terms energy: -315.967068
where:
bonds (distance) C4'-P energy: -59.098
bonds (distance) P-C4' energy: -61.035
flat angles C4'-P-C4' energy: -71.392
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -80.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -928.065952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.065952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.065952 (E_RNA)
where:
Base-Base interactions energy: -636.737
where: short stacking energy: -287.306
Base-Backbone interact. energy: -2.286
local terms energy: -289.043016
where:
bonds (distance) C4'-P energy: -55.298
bonds (distance) P-C4' energy: -44.668
flat angles C4'-P-C4' energy: -67.716
flat angles P-C4'-P energy: -37.948
tors. eta vs tors. theta energy: -83.413
Dist. restrs. and SS energy: 0.000 (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: 73
Temperature: 1.050000
Total energy: -893.988013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.988013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.988013 (E_RNA)
where:
Base-Base interactions energy: -631.722
where: short stacking energy: -254.585
Base-Backbone interact. energy: -0.047
local terms energy: -262.218858
where:
bonds (distance) C4'-P energy: -42.639
bonds (distance) P-C4' energy: -46.019
flat angles C4'-P-C4' energy: -58.270
flat angles P-C4'-P energy: -45.909
tors. eta vs tors. theta energy: -69.382
Dist. restrs. and SS energy: 0.000 (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: 73
Temperature: 1.100000
Total energy: -817.087837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.087837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.087837 (E_RNA)
where:
Base-Base interactions energy: -540.611
where: short stacking energy: -255.162
Base-Backbone interact. energy: 0.424
local terms energy: -276.900755
where:
bonds (distance) C4'-P energy: -54.857
bonds (distance) P-C4' energy: -52.354
flat angles C4'-P-C4' energy: -62.290
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -67.622
Dist. restrs. and SS energy: 0.000 (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: 73
Temperature: 1.150000
Total energy: -751.191410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.191410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.191410 (E_RNA)
where:
Base-Base interactions energy: -495.724
where: short stacking energy: -229.531
Base-Backbone interact. energy: 1.120
local terms energy: -256.587651
where:
bonds (distance) C4'-P energy: -48.553
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -41.633
tors. eta vs tors. theta energy: -58.203
Dist. restrs. and SS energy: 0.000 (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: 73
Temperature: 1.200000
Total energy: -657.405555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.405555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.405555 (E_RNA)
where:
Base-Base interactions energy: -430.650
where: short stacking energy: -187.797
Base-Backbone interact. energy: 1.527
local terms energy: -228.282500
where:
bonds (distance) C4'-P energy: -47.850
bonds (distance) P-C4' energy: -45.242
flat angles C4'-P-C4' energy: -52.100
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -48.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -530.850430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.850430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.850430 (E_RNA)
where:
Base-Base interactions energy: -308.451
where: short stacking energy: -166.116
Base-Backbone interact. energy: -0.383
local terms energy: -222.016582
where:
bonds (distance) C4'-P energy: -53.094
bonds (distance) P-C4' energy: -49.918
flat angles C4'-P-C4' energy: -55.513
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -30.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -501.945940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.945940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.945940 (E_RNA)
where:
Base-Base interactions energy: -344.129
where: short stacking energy: -162.820
Base-Backbone interact. energy: 5.329
local terms energy: -163.145397
where:
bonds (distance) C4'-P energy: -38.568
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -41.780
flat angles P-C4'-P energy: -16.015
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -256.576930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.576930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.576930 (E_RNA)
where:
Base-Base interactions energy: -82.666
where: short stacking energy: -63.682
Base-Backbone interact. energy: -1.081
local terms energy: -172.830161
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -50.430
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -30.190
tors. eta vs tors. theta energy: 5.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1052.072351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.072351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.072351 (E_RNA)
where:
Base-Base interactions energy: -733.341
where: short stacking energy: -308.593
Base-Backbone interact. energy: -1.436
local terms energy: -317.295555
where:
bonds (distance) C4'-P energy: -60.169
bonds (distance) P-C4' energy: -65.262
flat angles C4'-P-C4' energy: -58.784
flat angles P-C4'-P energy: -54.582
tors. eta vs tors. theta energy: -78.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1012.612606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.612606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.612606 (E_RNA)
where:
Base-Base interactions energy: -701.652
where: short stacking energy: -329.743
Base-Backbone interact. energy: -1.281
local terms energy: -309.680127
where:
bonds (distance) C4'-P energy: -45.895
bonds (distance) P-C4' energy: -60.314
flat angles C4'-P-C4' energy: -66.968
flat angles P-C4'-P energy: -52.494
tors. eta vs tors. theta energy: -84.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -942.095551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.095551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.095551 (E_RNA)
where:
Base-Base interactions energy: -635.392
where: short stacking energy: -287.377
Base-Backbone interact. energy: -0.696
local terms energy: -306.006986
where:
bonds (distance) C4'-P energy: -57.436
bonds (distance) P-C4' energy: -60.439
flat angles C4'-P-C4' energy: -60.804
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -82.670
Dist. restrs. and SS energy: 0.000 (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: 74
Temperature: 1.050000
Total energy: -925.383289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.383289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.383289 (E_RNA)
where:
Base-Base interactions energy: -643.430
where: short stacking energy: -256.862
Base-Backbone interact. energy: -1.904
local terms energy: -280.049673
where:
bonds (distance) C4'-P energy: -44.609
bonds (distance) P-C4' energy: -63.284
flat angles C4'-P-C4' energy: -62.815
flat angles P-C4'-P energy: -44.548
tors. eta vs tors. theta energy: -64.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -821.897184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.897184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.897184 (E_RNA)
where:
Base-Base interactions energy: -549.278
where: short stacking energy: -254.379
Base-Backbone interact. energy: -1.844
local terms energy: -270.774923
where:
bonds (distance) C4'-P energy: -59.256
bonds (distance) P-C4' energy: -54.180
flat angles C4'-P-C4' energy: -51.999
flat angles P-C4'-P energy: -38.145
tors. eta vs tors. theta energy: -67.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -758.747121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.747121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.747121 (E_RNA)
where:
Base-Base interactions energy: -491.105
where: short stacking energy: -242.481
Base-Backbone interact. energy: -1.035
local terms energy: -266.606813
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -55.210
flat angles C4'-P-C4' energy: -52.650
flat angles P-C4'-P energy: -41.300
tors. eta vs tors. theta energy: -62.520
Dist. restrs. and SS energy: 0.000 (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: 74
Temperature: 1.200000
Total energy: -669.743268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.743268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.743268 (E_RNA)
where:
Base-Base interactions energy: -446.496
where: short stacking energy: -192.590
Base-Backbone interact. energy: -0.736
local terms energy: -222.511701
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -53.941
flat angles P-C4'-P energy: -40.749
tors. eta vs tors. theta energy: -43.036
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: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -560.963784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.963784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.963784 (E_RNA)
where:
Base-Base interactions energy: -338.984
where: short stacking energy: -153.046
Base-Backbone interact. energy: -0.915
local terms energy: -221.065402
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -66.716
flat angles C4'-P-C4' energy: -56.439
flat angles P-C4'-P energy: -22.779
tors. eta vs tors. theta energy: -28.719
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: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -505.824553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.824553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.824553 (E_RNA)
where:
Base-Base interactions energy: -305.383
where: short stacking energy: -139.546
Base-Backbone interact. energy: -1.943
local terms energy: -198.498023
where:
bonds (distance) C4'-P energy: -56.118
bonds (distance) P-C4' energy: -44.768
flat angles C4'-P-C4' energy: -57.356
flat angles P-C4'-P energy: -26.963
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: 10, replica: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -245.811650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.811650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.811650 (E_RNA)
where:
Base-Base interactions energy: -96.218
where: short stacking energy: -55.855
Base-Backbone interact. energy: 8.075
local terms energy: -157.668312
where:
bonds (distance) C4'-P energy: -60.704
bonds (distance) P-C4' energy: -43.614
flat angles C4'-P-C4' energy: -47.857
flat angles P-C4'-P energy: -25.172
tors. eta vs tors. theta energy: 19.678
Dist. restrs. and SS energy: 0.000 (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: 75
Temperature: 0.900000
Total energy: -1048.879820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.879820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.879820 (E_RNA)
where:
Base-Base interactions energy: -727.049
where: short stacking energy: -309.216
Base-Backbone interact. energy: -1.012
local terms energy: -320.819308
where:
bonds (distance) C4'-P energy: -64.692
bonds (distance) P-C4' energy: -64.954
flat angles C4'-P-C4' energy: -67.682
flat angles P-C4'-P energy: -41.202
tors. eta vs tors. theta energy: -82.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1015.914019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.914019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.914019 (E_RNA)
where:
Base-Base interactions energy: -700.401
where: short stacking energy: -311.384
Base-Backbone interact. energy: 0.840
local terms energy: -316.353286
where:
bonds (distance) C4'-P energy: -58.683
bonds (distance) P-C4' energy: -55.146
flat angles C4'-P-C4' energy: -66.440
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -93.475
Dist. restrs. and SS energy: 0.000 (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: 75
Temperature: 1.000000
Total energy: -961.344715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.344715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.344715 (E_RNA)
where:
Base-Base interactions energy: -658.273
where: short stacking energy: -288.388
Base-Backbone interact. energy: -0.889
local terms energy: -302.182114
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -66.781
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: -85.115
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: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -945.441313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.441313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.441313 (E_RNA)
where:
Base-Base interactions energy: -677.392
where: short stacking energy: -264.367
Base-Backbone interact. energy: -1.502
local terms energy: -266.547842
where:
bonds (distance) C4'-P energy: -50.371
bonds (distance) P-C4' energy: -54.714
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -35.744
tors. eta vs tors. theta energy: -69.863
Dist. restrs. and SS energy: 0.000 (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: 75
Temperature: 1.100000
Total energy: -837.543230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.543230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.543230 (E_RNA)
where:
Base-Base interactions energy: -572.445
where: short stacking energy: -253.366
Base-Backbone interact. energy: -0.776
local terms energy: -264.322125
where:
bonds (distance) C4'-P energy: -54.568
bonds (distance) P-C4' energy: -49.351
flat angles C4'-P-C4' energy: -66.100
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -66.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -770.782295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.782295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.782295 (E_RNA)
where:
Base-Base interactions energy: -503.021
where: short stacking energy: -235.093
Base-Backbone interact. energy: 0.482
local terms energy: -268.244085
where:
bonds (distance) C4'-P energy: -56.018
bonds (distance) P-C4' energy: -47.821
flat angles C4'-P-C4' energy: -58.181
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -60.309
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: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -672.262340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.262340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.262340 (E_RNA)
where:
Base-Base interactions energy: -443.763
where: short stacking energy: -206.810
Base-Backbone interact. energy: -0.429
local terms energy: -228.070370
where:
bonds (distance) C4'-P energy: -52.668
bonds (distance) P-C4' energy: -33.954
flat angles C4'-P-C4' energy: -48.318
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -54.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -534.496295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.496295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.496295 (E_RNA)
where:
Base-Base interactions energy: -317.121
where: short stacking energy: -152.826
Base-Backbone interact. energy: 2.724
local terms energy: -220.099665
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -51.917
flat angles C4'-P-C4' energy: -56.959
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -27.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -491.288174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.288174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.288174 (E_RNA)
where:
Base-Base interactions energy: -274.297
where: short stacking energy: -151.221
Base-Backbone interact. energy: 0.033
local terms energy: -217.024826
where:
bonds (distance) C4'-P energy: -47.053
bonds (distance) P-C4' energy: -53.678
flat angles C4'-P-C4' energy: -60.523
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -22.507
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: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -260.117734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.117734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.117734 (E_RNA)
where:
Base-Base interactions energy: -101.726
where: short stacking energy: -75.567
Base-Backbone interact. energy: -2.075
local terms energy: -156.316373
where:
bonds (distance) C4'-P energy: -46.719
bonds (distance) P-C4' energy: -54.790
flat angles C4'-P-C4' energy: -34.694
flat angles P-C4'-P energy: -30.864
tors. eta vs tors. theta energy: 10.751
Dist. restrs. and SS energy: 0.000 (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: 76
Temperature: 0.900000
Total energy: -1061.958066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.958066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.958066 (E_RNA)
where:
Base-Base interactions energy: -744.506
where: short stacking energy: -320.559
Base-Backbone interact. energy: 0.587
local terms energy: -318.039075
where:
bonds (distance) C4'-P energy: -68.318
bonds (distance) P-C4' energy: -58.019
flat angles C4'-P-C4' energy: -53.709
flat angles P-C4'-P energy: -46.646
tors. eta vs tors. theta energy: -91.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1000.929409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.929409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.929409 (E_RNA)
where:
Base-Base interactions energy: -691.752
where: short stacking energy: -298.260
Base-Backbone interact. energy: 0.345
local terms energy: -309.522159
where:
bonds (distance) C4'-P energy: -57.681
bonds (distance) P-C4' energy: -53.499
flat angles C4'-P-C4' energy: -65.667
flat angles P-C4'-P energy: -52.773
tors. eta vs tors. theta energy: -79.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -978.777583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.777583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.777583 (E_RNA)
where:
Base-Base interactions energy: -701.809
where: short stacking energy: -285.409
Base-Backbone interact. energy: -3.096
local terms energy: -273.872264
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -53.281
flat angles C4'-P-C4' energy: -59.305
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -75.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -941.453134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.453134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.453134 (E_RNA)
where:
Base-Base interactions energy: -638.120
where: short stacking energy: -289.385
Base-Backbone interact. energy: -0.800
local terms energy: -302.533192
where:
bonds (distance) C4'-P energy: -54.867
bonds (distance) P-C4' energy: -57.964
flat angles C4'-P-C4' energy: -63.842
flat angles P-C4'-P energy: -42.905
tors. eta vs tors. theta energy: -82.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -827.966067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.966067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.966067 (E_RNA)
where:
Base-Base interactions energy: -551.814
where: short stacking energy: -255.508
Base-Backbone interact. energy: 1.790
local terms energy: -277.942762
where:
bonds (distance) C4'-P energy: -50.260
bonds (distance) P-C4' energy: -51.621
flat angles C4'-P-C4' energy: -65.803
flat angles P-C4'-P energy: -53.025
tors. eta vs tors. theta energy: -57.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -792.847391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.847391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.847391 (E_RNA)
where:
Base-Base interactions energy: -519.091
where: short stacking energy: -239.483
Base-Backbone interact. energy: -0.119
local terms energy: -273.637353
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -60.800
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -68.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -689.123930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.123930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.123930 (E_RNA)
where:
Base-Base interactions energy: -447.390
where: short stacking energy: -212.307
Base-Backbone interact. energy: 4.539
local terms energy: -246.272646
where:
bonds (distance) C4'-P energy: -39.707
bonds (distance) P-C4' energy: -45.908
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -46.766
tors. eta vs tors. theta energy: -59.329
Dist. restrs. and SS energy: 0.000 (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: 76
Temperature: 1.250000
Total energy: -552.682208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.682208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.682208 (E_RNA)
where:
Base-Base interactions energy: -322.452
where: short stacking energy: -156.878
Base-Backbone interact. energy: 0.480
local terms energy: -230.710640
where:
bonds (distance) C4'-P energy: -45.934
bonds (distance) P-C4' energy: -63.011
flat angles C4'-P-C4' energy: -58.984
flat angles P-C4'-P energy: -36.854
tors. eta vs tors. theta energy: -25.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -480.321613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.321613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.321613 (E_RNA)
where:
Base-Base interactions energy: -289.322
where: short stacking energy: -150.082
Base-Backbone interact. energy: -2.084
local terms energy: -188.915259
where:
bonds (distance) C4'-P energy: -36.002
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -40.697
flat angles P-C4'-P energy: -33.710
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (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: 76
Temperature: 1.350000
Total energy: -268.851678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.851678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.851678 (E_RNA)
where:
Base-Base interactions energy: -96.080
where: short stacking energy: -78.842
Base-Backbone interact. energy: -0.418
local terms energy: -172.354033
where:
bonds (distance) C4'-P energy: -56.911
bonds (distance) P-C4' energy: -41.759
flat angles C4'-P-C4' energy: -48.681
flat angles P-C4'-P energy: -31.926
tors. eta vs tors. theta energy: 6.922
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: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1052.221751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.221751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.221751 (E_RNA)
where:
Base-Base interactions energy: -735.217
where: short stacking energy: -310.829
Base-Backbone interact. energy: 1.595
local terms energy: -318.599635
where:
bonds (distance) C4'-P energy: -58.471
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -70.486
flat angles P-C4'-P energy: -50.908
tors. eta vs tors. theta energy: -82.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -983.758360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.758360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.758360 (E_RNA)
where:
Base-Base interactions energy: -703.310
where: short stacking energy: -290.779
Base-Backbone interact. energy: -1.795
local terms energy: -278.654216
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -50.926
flat angles C4'-P-C4' energy: -67.243
flat angles P-C4'-P energy: -29.533
tors. eta vs tors. theta energy: -71.922
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: 3, replica: 8
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -983.174189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.174189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.174189 (E_RNA)
where:
Base-Base interactions energy: -670.729
where: short stacking energy: -292.324
Base-Backbone interact. energy: -1.911
local terms energy: -310.535010
where:
bonds (distance) C4'-P energy: -60.628
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -61.339
flat angles P-C4'-P energy: -49.979
tors. eta vs tors. theta energy: -83.623
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: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -933.213201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.213201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.213201 (E_RNA)
where:
Base-Base interactions energy: -647.816
where: short stacking energy: -269.405
Base-Backbone interact. energy: -1.539
local terms energy: -283.857833
where:
bonds (distance) C4'-P energy: -46.116
bonds (distance) P-C4' energy: -58.050
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -38.307
tors. eta vs tors. theta energy: -77.276
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: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -827.202692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.202692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.202692 (E_RNA)
where:
Base-Base interactions energy: -556.320
where: short stacking energy: -259.446
Base-Backbone interact. energy: -1.026
local terms energy: -269.855927
where:
bonds (distance) C4'-P energy: -58.995
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -52.214
flat angles P-C4'-P energy: -44.265
tors. eta vs tors. theta energy: -67.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -754.140113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.140113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.140113 (E_RNA)
where:
Base-Base interactions energy: -497.676
where: short stacking energy: -230.336
Base-Backbone interact. energy: -1.600
local terms energy: -254.864374
where:
bonds (distance) C4'-P energy: -56.017
bonds (distance) P-C4' energy: -43.575
flat angles C4'-P-C4' energy: -54.920
flat angles P-C4'-P energy: -36.918
tors. eta vs tors. theta energy: -63.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -655.573761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.573761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.573761 (E_RNA)
where:
Base-Base interactions energy: -411.366
where: short stacking energy: -194.758
Base-Backbone interact. energy: -0.878
local terms energy: -243.330064
where:
bonds (distance) C4'-P energy: -57.178
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -54.662
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -48.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -546.972816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.972816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.972816 (E_RNA)
where:
Base-Base interactions energy: -327.396
where: short stacking energy: -163.870
Base-Backbone interact. energy: -0.518
local terms energy: -219.058547
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -44.693
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -28.107
tors. eta vs tors. theta energy: -38.334
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: 9, replica: 7
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -500.714813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.714813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.714813 (E_RNA)
where:
Base-Base interactions energy: -290.216
where: short stacking energy: -139.484
Base-Backbone interact. energy: -0.412
local terms energy: -210.086396
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -54.963
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -14.031
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: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -270.751492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.751492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.751492 (E_RNA)
where:
Base-Base interactions energy: -107.081
where: short stacking energy: -93.244
Base-Backbone interact. energy: 4.390
local terms energy: -168.060636
where:
bonds (distance) C4'-P energy: -52.529
bonds (distance) P-C4' energy: -51.859
flat angles C4'-P-C4' energy: -47.512
flat angles P-C4'-P energy: -25.322
tors. eta vs tors. theta energy: 9.161
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: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1043.938742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.938742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.938742 (E_RNA)
where:
Base-Base interactions energy: -722.976
where: short stacking energy: -295.934
Base-Backbone interact. energy: -3.160
local terms energy: -317.802652
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -63.754
flat angles C4'-P-C4' energy: -66.575
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -89.936
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: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -970.511527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.511527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.511527 (E_RNA)
where:
Base-Base interactions energy: -677.241
where: short stacking energy: -275.264
Base-Backbone interact. energy: -2.153
local terms energy: -291.117490
where:
bonds (distance) C4'-P energy: -53.639
bonds (distance) P-C4' energy: -59.140
flat angles C4'-P-C4' energy: -59.639
flat angles P-C4'-P energy: -52.246
tors. eta vs tors. theta energy: -66.453
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: 78
Temperature: 1.000000
Total energy: -940.203042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.203042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.203042 (E_RNA)
where:
Base-Base interactions energy: -641.449
where: short stacking energy: -288.104
Base-Backbone interact. energy: 0.535
local terms energy: -299.288864
where:
bonds (distance) C4'-P energy: -54.225
bonds (distance) P-C4' energy: -55.767
flat angles C4'-P-C4' energy: -63.065
flat angles P-C4'-P energy: -43.398
tors. eta vs tors. theta energy: -82.834
Dist. restrs. and SS energy: 0.000 (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: 78
Temperature: 1.050000
Total energy: -964.277206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.277206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.277206 (E_RNA)
where:
Base-Base interactions energy: -663.646
where: short stacking energy: -275.383
Base-Backbone interact. energy: -1.426
local terms energy: -299.204905
where:
bonds (distance) C4'-P energy: -60.520
bonds (distance) P-C4' energy: -61.590
flat angles C4'-P-C4' energy: -58.864
flat angles P-C4'-P energy: -44.297
tors. eta vs tors. theta energy: -73.934
Dist. restrs. and SS energy: 0.000 (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: 78
Temperature: 1.100000
Total energy: -785.175333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.175333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.175333 (E_RNA)
where:
Base-Base interactions energy: -502.497
where: short stacking energy: -237.283
Base-Backbone interact. energy: -0.930
local terms energy: -281.749083
where:
bonds (distance) C4'-P energy: -49.177
bonds (distance) P-C4' energy: -56.747
flat angles C4'-P-C4' energy: -64.876
flat angles P-C4'-P energy: -43.515
tors. eta vs tors. theta energy: -67.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -719.356450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.356450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.356450 (E_RNA)
where:
Base-Base interactions energy: -471.425
where: short stacking energy: -214.915
Base-Backbone interact. energy: -0.661
local terms energy: -247.270734
where:
bonds (distance) C4'-P energy: -49.090
bonds (distance) P-C4' energy: -48.135
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -57.086
Dist. restrs. and SS energy: 0.000 (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: 78
Temperature: 1.200000
Total energy: -545.405623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.405623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.405623 (E_RNA)
where:
Base-Base interactions energy: -337.868
where: short stacking energy: -172.597
Base-Backbone interact. energy: -1.443
local terms energy: -206.095195
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -64.187
flat angles C4'-P-C4' energy: -47.344
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -32.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -607.812419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.812419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.812419 (E_RNA)
where:
Base-Base interactions energy: -370.883
where: short stacking energy: -178.901
Base-Backbone interact. energy: -1.047
local terms energy: -235.882178
where:
bonds (distance) C4'-P energy: -58.509
bonds (distance) P-C4' energy: -58.570
flat angles C4'-P-C4' energy: -54.017
flat angles P-C4'-P energy: -31.873
tors. eta vs tors. theta energy: -32.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -480.753590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.753590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.753590 (E_RNA)
where:
Base-Base interactions energy: -287.050
where: short stacking energy: -132.299
Base-Backbone interact. energy: 0.415
local terms energy: -194.117904
where:
bonds (distance) C4'-P energy: -50.689
bonds (distance) P-C4' energy: -49.195
flat angles C4'-P-C4' energy: -48.804
flat angles P-C4'-P energy: -29.410
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -270.097048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.097048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.097048 (E_RNA)
where:
Base-Base interactions energy: -91.798
where: short stacking energy: -69.142
Base-Backbone interact. energy: 1.318
local terms energy: -179.616927
where:
bonds (distance) C4'-P energy: -41.119
bonds (distance) P-C4' energy: -59.682
flat angles C4'-P-C4' energy: -45.720
flat angles P-C4'-P energy: -34.187
tors. eta vs tors. theta energy: 1.091
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: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1041.186056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.186056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.186056 (E_RNA)
where:
Base-Base interactions energy: -728.901
where: short stacking energy: -299.500
Base-Backbone interact. energy: -0.226
local terms energy: -312.059184
where:
bonds (distance) C4'-P energy: -48.610
bonds (distance) P-C4' energy: -56.865
flat angles C4'-P-C4' energy: -70.831
flat angles P-C4'-P energy: -47.387
tors. eta vs tors. theta energy: -88.367
Dist. restrs. and SS energy: 0.000 (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: 79
Temperature: 0.950000
Total energy: -969.717943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.717943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.717943 (E_RNA)
where:
Base-Base interactions energy: -666.128
where: short stacking energy: -288.076
Base-Backbone interact. energy: -3.224
local terms energy: -300.365525
where:
bonds (distance) C4'-P energy: -53.051
bonds (distance) P-C4' energy: -56.425
flat angles C4'-P-C4' energy: -62.240
flat angles P-C4'-P energy: -45.995
tors. eta vs tors. theta energy: -82.655
Dist. restrs. and SS energy: 0.000 (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: 79
Temperature: 1.000000
Total energy: -924.308075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.308075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.308075 (E_RNA)
where:
Base-Base interactions energy: -625.196
where: short stacking energy: -291.566
Base-Backbone interact. energy: -1.315
local terms energy: -297.797058
where:
bonds (distance) C4'-P energy: -62.072
bonds (distance) P-C4' energy: -57.917
flat angles C4'-P-C4' energy: -55.007
flat angles P-C4'-P energy: -41.205
tors. eta vs tors. theta energy: -81.596
Dist. restrs. and SS energy: 0.000 (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: 79
Temperature: 1.050000
Total energy: -972.590249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.590249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.590249 (E_RNA)
where:
Base-Base interactions energy: -687.332
where: short stacking energy: -270.818
Base-Backbone interact. energy: -1.073
local terms energy: -284.185877
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -54.679
flat angles C4'-P-C4' energy: -63.141
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -73.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -803.744220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.744220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.744220 (E_RNA)
where:
Base-Base interactions energy: -524.115
where: short stacking energy: -231.703
Base-Backbone interact. energy: -0.074
local terms energy: -279.555381
where:
bonds (distance) C4'-P energy: -58.708
bonds (distance) P-C4' energy: -59.632
flat angles C4'-P-C4' energy: -59.278
flat angles P-C4'-P energy: -34.224
tors. eta vs tors. theta energy: -67.713
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: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -748.746963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.746963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.746963 (E_RNA)
where:
Base-Base interactions energy: -487.620
where: short stacking energy: -234.668
Base-Backbone interact. energy: 1.814
local terms energy: -262.940405
where:
bonds (distance) C4'-P energy: -50.315
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -54.111
flat angles P-C4'-P energy: -39.819
tors. eta vs tors. theta energy: -63.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -568.604180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.604180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.604180 (E_RNA)
where:
Base-Base interactions energy: -356.513
where: short stacking energy: -182.736
Base-Backbone interact. energy: -0.773
local terms energy: -211.317795
where:
bonds (distance) C4'-P energy: -53.412
bonds (distance) P-C4' energy: -56.527
flat angles C4'-P-C4' energy: -61.697
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -24.273
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: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -594.871285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.871285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.871285 (E_RNA)
where:
Base-Base interactions energy: -385.266
where: short stacking energy: -172.394
Base-Backbone interact. energy: 0.411
local terms energy: -210.016336
where:
bonds (distance) C4'-P energy: -33.596
bonds (distance) P-C4' energy: -53.966
flat angles C4'-P-C4' energy: -50.921
flat angles P-C4'-P energy: -30.858
tors. eta vs tors. theta energy: -40.675
Dist. restrs. and SS energy: 0.000 (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: 79
Temperature: 1.300000
Total energy: -484.606996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.606996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.606996 (E_RNA)
where:
Base-Base interactions energy: -301.778
where: short stacking energy: -153.774
Base-Backbone interact. energy: -0.570
local terms energy: -182.258368
where:
bonds (distance) C4'-P energy: -53.960
bonds (distance) P-C4' energy: -40.072
flat angles C4'-P-C4' energy: -46.668
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (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: 79
Temperature: 1.350000
Total energy: -279.350527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.350527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.350527 (E_RNA)
where:
Base-Base interactions energy: -110.492
where: short stacking energy: -85.174
Base-Backbone interact. energy: 1.076
local terms energy: -169.934619
where:
bonds (distance) C4'-P energy: -53.882
bonds (distance) P-C4' energy: -54.347
flat angles C4'-P-C4' energy: -36.329
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: 7.881
Dist. restrs. and SS energy: 0.000 (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: 80
Temperature: 0.900000
Total energy: -1009.740149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.740149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.740149 (E_RNA)
where:
Base-Base interactions energy: -693.245
where: short stacking energy: -304.289
Base-Backbone interact. energy: 1.594
local terms energy: -318.089192
where:
bonds (distance) C4'-P energy: -70.791
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -48.772
tors. eta vs tors. theta energy: -79.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1028.615726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.615726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.615726 (E_RNA)
where:
Base-Base interactions energy: -705.423
where: short stacking energy: -313.871
Base-Backbone interact. energy: -0.399
local terms energy: -322.793963
where:
bonds (distance) C4'-P energy: -60.603
bonds (distance) P-C4' energy: -68.535
flat angles C4'-P-C4' energy: -67.642
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -84.679
Dist. restrs. and SS energy: 0.000 (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: 80
Temperature: 1.000000
Total energy: -993.768755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.768755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.768755 (E_RNA)
where:
Base-Base interactions energy: -696.799
where: short stacking energy: -294.875
Base-Backbone interact. energy: 0.882
local terms energy: -297.851781
where:
bonds (distance) C4'-P energy: -54.112
bonds (distance) P-C4' energy: -65.440
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -46.756
tors. eta vs tors. theta energy: -76.275
Dist. restrs. and SS energy: 0.000 (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: 80
Temperature: 1.050000
Total energy: -909.106112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.106112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.106112 (E_RNA)
where:
Base-Base interactions energy: -614.244
where: short stacking energy: -275.489
Base-Backbone interact. energy: -1.253
local terms energy: -293.608618
where:
bonds (distance) C4'-P energy: -60.135
bonds (distance) P-C4' energy: -59.763
flat angles C4'-P-C4' energy: -66.952
flat angles P-C4'-P energy: -36.520
tors. eta vs tors. theta energy: -70.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -794.980146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.980146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.980146 (E_RNA)
where:
Base-Base interactions energy: -511.069
where: short stacking energy: -251.370
Base-Backbone interact. energy: 0.119
local terms energy: -284.030349
where:
bonds (distance) C4'-P energy: -58.484
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -56.730
flat angles P-C4'-P energy: -40.481
tors. eta vs tors. theta energy: -72.711
Dist. restrs. and SS energy: 0.000 (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: 80
Temperature: 1.150000
Total energy: -727.489607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.489607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.489607 (E_RNA)
where:
Base-Base interactions energy: -474.317
where: short stacking energy: -203.331
Base-Backbone interact. energy: -0.640
local terms energy: -252.533005
where:
bonds (distance) C4'-P energy: -54.448
bonds (distance) P-C4' energy: -59.875
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -36.184
tors. eta vs tors. theta energy: -48.922
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: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -633.563031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.563031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.563031 (E_RNA)
where:
Base-Base interactions energy: -407.010
where: short stacking energy: -192.010
Base-Backbone interact. energy: -1.216
local terms energy: -225.337631
where:
bonds (distance) C4'-P energy: -50.610
bonds (distance) P-C4' energy: -58.856
flat angles C4'-P-C4' energy: -52.527
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -42.321
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: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -556.844643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.844643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.844643 (E_RNA)
where:
Base-Base interactions energy: -337.096
where: short stacking energy: -155.020
Base-Backbone interact. energy: 2.920
local terms energy: -222.667948
where:
bonds (distance) C4'-P energy: -49.348
bonds (distance) P-C4' energy: -59.087
flat angles C4'-P-C4' energy: -56.890
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -27.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -485.212506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.212506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.212506 (E_RNA)
where:
Base-Base interactions energy: -279.036
where: short stacking energy: -130.393
Base-Backbone interact. energy: 0.683
local terms energy: -206.859360
where:
bonds (distance) C4'-P energy: -46.375
bonds (distance) P-C4' energy: -58.033
flat angles C4'-P-C4' energy: -45.381
flat angles P-C4'-P energy: -25.300
tors. eta vs tors. theta energy: -31.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -282.424102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.424102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.424102 (E_RNA)
where:
Base-Base interactions energy: -97.179
where: short stacking energy: -79.078
Base-Backbone interact. energy: 0.130
local terms energy: -185.375733
where:
bonds (distance) C4'-P energy: -53.742
bonds (distance) P-C4' energy: -57.713
flat angles C4'-P-C4' energy: -38.196
flat angles P-C4'-P energy: -37.555
tors. eta vs tors. theta energy: 1.831
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: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1010.923499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.923499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.923499 (E_RNA)
where:
Base-Base interactions energy: -701.273
where: short stacking energy: -300.249
Base-Backbone interact. energy: -1.860
local terms energy: -307.790624
where:
bonds (distance) C4'-P energy: -58.384
bonds (distance) P-C4' energy: -52.522
flat angles C4'-P-C4' energy: -64.579
flat angles P-C4'-P energy: -49.059
tors. eta vs tors. theta energy: -83.246
Dist. restrs. and SS energy: 0.000 (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: 81
Temperature: 0.950000
Total energy: -1032.486241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.486241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.486241 (E_RNA)
where:
Base-Base interactions energy: -708.536
where: short stacking energy: -312.481
Base-Backbone interact. energy: 0.014
local terms energy: -323.964624
where:
bonds (distance) C4'-P energy: -63.582
bonds (distance) P-C4' energy: -64.122
flat angles C4'-P-C4' energy: -68.774
flat angles P-C4'-P energy: -45.225
tors. eta vs tors. theta energy: -82.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1013.513530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.513530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.513530 (E_RNA)
where:
Base-Base interactions energy: -721.773
where: short stacking energy: -294.143
Base-Backbone interact. energy: -2.059
local terms energy: -289.682066
where:
bonds (distance) C4'-P energy: -53.477
bonds (distance) P-C4' energy: -51.696
flat angles C4'-P-C4' energy: -56.551
flat angles P-C4'-P energy: -44.005
tors. eta vs tors. theta energy: -83.953
Dist. restrs. and SS energy: 0.000 (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: 81
Temperature: 1.050000
Total energy: -922.395841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.395841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.395841 (E_RNA)
where:
Base-Base interactions energy: -636.111
where: short stacking energy: -287.033
Base-Backbone interact. energy: -0.494
local terms energy: -285.791449
where:
bonds (distance) C4'-P energy: -45.273
bonds (distance) P-C4' energy: -60.783
flat angles C4'-P-C4' energy: -66.058
flat angles P-C4'-P energy: -41.943
tors. eta vs tors. theta energy: -71.734
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: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -778.558574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.558574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.558574 (E_RNA)
where:
Base-Base interactions energy: -487.329
where: short stacking energy: -245.512
Base-Backbone interact. energy: -0.608
local terms energy: -290.621136
where:
bonds (distance) C4'-P energy: -52.554
bonds (distance) P-C4' energy: -71.536
flat angles C4'-P-C4' energy: -54.103
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -72.298
Dist. restrs. and SS energy: 0.000 (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: 81
Temperature: 1.150000
Total energy: -719.981608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.981608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.981608 (E_RNA)
where:
Base-Base interactions energy: -477.246
where: short stacking energy: -209.413
Base-Backbone interact. energy: -0.633
local terms energy: -242.102654
where:
bonds (distance) C4'-P energy: -54.420
bonds (distance) P-C4' energy: -53.819
flat angles C4'-P-C4' energy: -53.843
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -47.095
Dist. restrs. and SS energy: 0.000 (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: 81
Temperature: 1.200000
Total energy: -622.565623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.565623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.565623 (E_RNA)
where:
Base-Base interactions energy: -385.799
where: short stacking energy: -186.062
Base-Backbone interact. energy: -1.332
local terms energy: -235.434499
where:
bonds (distance) C4'-P energy: -47.729
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -55.848
flat angles P-C4'-P energy: -36.001
tors. eta vs tors. theta energy: -42.596
Dist. restrs. and SS energy: 0.000 (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: 81
Temperature: 1.250000
Total energy: -562.774929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.774929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.774929 (E_RNA)
where:
Base-Base interactions energy: -342.617
where: short stacking energy: -166.717
Base-Backbone interact. energy: 0.449
local terms energy: -220.606948
where:
bonds (distance) C4'-P energy: -56.214
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -46.868
flat angles P-C4'-P energy: -28.246
tors. eta vs tors. theta energy: -38.005
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: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -564.887588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.887588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.887588 (E_RNA)
where:
Base-Base interactions energy: -350.093
where: short stacking energy: -153.253
Base-Backbone interact. energy: -1.122
local terms energy: -213.672254
where:
bonds (distance) C4'-P energy: -55.147
bonds (distance) P-C4' energy: -52.639
flat angles C4'-P-C4' energy: -55.023
flat angles P-C4'-P energy: -26.937
tors. eta vs tors. theta energy: -23.926
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: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -257.829776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.829776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.829776 (E_RNA)
where:
Base-Base interactions energy: -92.389
where: short stacking energy: -69.952
Base-Backbone interact. energy: -0.086
local terms energy: -165.354424
where:
bonds (distance) C4'-P energy: -59.916
bonds (distance) P-C4' energy: -61.402
flat angles C4'-P-C4' energy: -28.249
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: 7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1050.722174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.722174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.722174 (E_RNA)
where:
Base-Base interactions energy: -743.660
where: short stacking energy: -323.234
Base-Backbone interact. energy: -1.419
local terms energy: -305.643484
where:
bonds (distance) C4'-P energy: -61.933
bonds (distance) P-C4' energy: -48.093
flat angles C4'-P-C4' energy: -60.305
flat angles P-C4'-P energy: -43.281
tors. eta vs tors. theta energy: -92.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -990.186287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.186287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.186287 (E_RNA)
where:
Base-Base interactions energy: -693.784
where: short stacking energy: -292.635
Base-Backbone interact. energy: -0.008
local terms energy: -296.394462
where:
bonds (distance) C4'-P energy: -50.944
bonds (distance) P-C4' energy: -63.294
flat angles C4'-P-C4' energy: -60.566
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -80.378
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: 3, replica: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1034.935280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.935280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.935280 (E_RNA)
where:
Base-Base interactions energy: -727.017
where: short stacking energy: -311.904
Base-Backbone interact. energy: -2.166
local terms energy: -305.752441
where:
bonds (distance) C4'-P energy: -58.665
bonds (distance) P-C4' energy: -54.807
flat angles C4'-P-C4' energy: -60.383
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: -84.719
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: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -913.282022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.282022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.282022 (E_RNA)
where:
Base-Base interactions energy: -614.945
where: short stacking energy: -263.326
Base-Backbone interact. energy: -0.290
local terms energy: -298.047511
where:
bonds (distance) C4'-P energy: -52.221
bonds (distance) P-C4' energy: -63.010
flat angles C4'-P-C4' energy: -56.691
flat angles P-C4'-P energy: -47.397
tors. eta vs tors. theta energy: -78.730
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: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -782.017473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.017473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.017473 (E_RNA)
where:
Base-Base interactions energy: -504.264
where: short stacking energy: -250.831
Base-Backbone interact. energy: 0.387
local terms energy: -278.139984
where:
bonds (distance) C4'-P energy: -50.204
bonds (distance) P-C4' energy: -60.595
flat angles C4'-P-C4' energy: -57.611
flat angles P-C4'-P energy: -38.805
tors. eta vs tors. theta energy: -70.926
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: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -726.645899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.645899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.645899 (E_RNA)
where:
Base-Base interactions energy: -473.396
where: short stacking energy: -206.882
Base-Backbone interact. energy: -0.632
local terms energy: -252.617742
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -51.281
flat angles C4'-P-C4' energy: -63.242
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: -54.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -614.756543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.756543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.756543 (E_RNA)
where:
Base-Base interactions energy: -366.195
where: short stacking energy: -182.860
Base-Backbone interact. energy: -1.458
local terms energy: -247.103344
where:
bonds (distance) C4'-P energy: -49.936
bonds (distance) P-C4' energy: -63.096
flat angles C4'-P-C4' energy: -50.231
flat angles P-C4'-P energy: -42.474
tors. eta vs tors. theta energy: -41.367
Dist. restrs. and SS energy: 0.000 (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: 82
Temperature: 1.250000
Total energy: -538.029362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.029362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.029362 (E_RNA)
where:
Base-Base interactions energy: -331.331
where: short stacking energy: -135.081
Base-Backbone interact. energy: -1.534
local terms energy: -205.164118
where:
bonds (distance) C4'-P energy: -43.796
bonds (distance) P-C4' energy: -62.608
flat angles C4'-P-C4' energy: -60.158
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -8.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -584.511632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.511632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.511632 (E_RNA)
where:
Base-Base interactions energy: -352.399
where: short stacking energy: -171.334
Base-Backbone interact. energy: 1.545
local terms energy: -233.657759
where:
bonds (distance) C4'-P energy: -53.303
bonds (distance) P-C4' energy: -59.393
flat angles C4'-P-C4' energy: -55.190
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.000 (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: 82
Temperature: 1.350000
Total energy: -256.986282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.986282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.986282 (E_RNA)
where:
Base-Base interactions energy: -94.288
where: short stacking energy: -80.718
Base-Backbone interact. energy: 1.493
local terms energy: -164.190834
where:
bonds (distance) C4'-P energy: -39.979
bonds (distance) P-C4' energy: -57.202
flat angles C4'-P-C4' energy: -46.571
flat angles P-C4'-P energy: -19.322
tors. eta vs tors. theta energy: -1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1042.722312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.722312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.722312 (E_RNA)
where:
Base-Base interactions energy: -727.039
where: short stacking energy: -311.500
Base-Backbone interact. energy: 1.284
local terms energy: -316.967229
where:
bonds (distance) C4'-P energy: -59.586
bonds (distance) P-C4' energy: -65.469
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -44.086
tors. eta vs tors. theta energy: -81.732
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: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1023.228357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.228357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.228357 (E_RNA)
where:
Base-Base interactions energy: -720.552
where: short stacking energy: -288.407
Base-Backbone interact. energy: -1.330
local terms energy: -301.346002
where:
bonds (distance) C4'-P energy: -60.203
bonds (distance) P-C4' energy: -56.206
flat angles C4'-P-C4' energy: -61.153
flat angles P-C4'-P energy: -48.517
tors. eta vs tors. theta energy: -75.267
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: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -982.902758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.902758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.902758 (E_RNA)
where:
Base-Base interactions energy: -692.436
where: short stacking energy: -290.511
Base-Backbone interact. energy: 0.762
local terms energy: -291.228033
where:
bonds (distance) C4'-P energy: -62.352
bonds (distance) P-C4' energy: -54.228
flat angles C4'-P-C4' energy: -60.993
flat angles P-C4'-P energy: -36.263
tors. eta vs tors. theta energy: -77.392
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: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -927.699826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.699826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.699826 (E_RNA)
where:
Base-Base interactions energy: -633.642
where: short stacking energy: -287.665
Base-Backbone interact. energy: -0.222
local terms energy: -293.835530
where:
bonds (distance) C4'-P energy: -47.907
bonds (distance) P-C4' energy: -61.703
flat angles C4'-P-C4' energy: -61.376
flat angles P-C4'-P energy: -39.526
tors. eta vs tors. theta energy: -83.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -801.145479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.145479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.145479 (E_RNA)
where:
Base-Base interactions energy: -514.569
where: short stacking energy: -228.692
Base-Backbone interact. energy: -0.373
local terms energy: -286.204018
where:
bonds (distance) C4'-P energy: -56.786
bonds (distance) P-C4' energy: -58.238
flat angles C4'-P-C4' energy: -61.960
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -62.690
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: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -786.357720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.357720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.357720 (E_RNA)
where:
Base-Base interactions energy: -502.720
where: short stacking energy: -240.214
Base-Backbone interact. energy: -0.620
local terms energy: -283.018248
where:
bonds (distance) C4'-P energy: -61.246
bonds (distance) P-C4' energy: -63.085
flat angles C4'-P-C4' energy: -45.343
flat angles P-C4'-P energy: -44.969
tors. eta vs tors. theta energy: -68.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -604.689519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.689519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.689519 (E_RNA)
where:
Base-Base interactions energy: -376.248
where: short stacking energy: -204.065
Base-Backbone interact. energy: 0.788
local terms energy: -229.230336
where:
bonds (distance) C4'-P energy: -50.552
bonds (distance) P-C4' energy: -60.431
flat angles C4'-P-C4' energy: -41.409
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -42.347
Dist. restrs. and SS energy: 0.000 (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: 83
Temperature: 1.250000
Total energy: -612.761408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.761408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.761408 (E_RNA)
where:
Base-Base interactions energy: -381.412
where: short stacking energy: -182.617
Base-Backbone interact. energy: -0.832
local terms energy: -230.517032
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -57.663
flat angles C4'-P-C4' energy: -52.234
flat angles P-C4'-P energy: -40.970
tors. eta vs tors. theta energy: -25.697
Dist. restrs. and SS energy: 0.000 (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: 83
Temperature: 1.300000
Total energy: -529.860353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.860353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.860353 (E_RNA)
where:
Base-Base interactions energy: -317.218
where: short stacking energy: -153.802
Base-Backbone interact. energy: -1.816
local terms energy: -210.826478
where:
bonds (distance) C4'-P energy: -48.468
bonds (distance) P-C4' energy: -52.811
flat angles C4'-P-C4' energy: -51.790
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -273.045568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.045568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.045568 (E_RNA)
where:
Base-Base interactions energy: -84.040
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.627
local terms energy: -188.379082
where:
bonds (distance) C4'-P energy: -57.962
bonds (distance) P-C4' energy: -51.723
flat angles C4'-P-C4' energy: -52.057
flat angles P-C4'-P energy: -31.679
tors. eta vs tors. theta energy: 5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1056.748432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.748432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.748432 (E_RNA)
where:
Base-Base interactions energy: -744.504
where: short stacking energy: -311.251
Base-Backbone interact. energy: -0.818
local terms energy: -311.425810
where:
bonds (distance) C4'-P energy: -63.998
bonds (distance) P-C4' energy: -59.778
flat angles C4'-P-C4' energy: -61.474
flat angles P-C4'-P energy: -44.544
tors. eta vs tors. theta energy: -81.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1031.742902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.742902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.742902 (E_RNA)
where:
Base-Base interactions energy: -724.106
where: short stacking energy: -307.209
Base-Backbone interact. energy: -0.008
local terms energy: -307.628149
where:
bonds (distance) C4'-P energy: -51.762
bonds (distance) P-C4' energy: -65.711
flat angles C4'-P-C4' energy: -68.480
flat angles P-C4'-P energy: -39.771
tors. eta vs tors. theta energy: -81.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -965.481801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.481801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.481801 (E_RNA)
where:
Base-Base interactions energy: -686.854
where: short stacking energy: -285.971
Base-Backbone interact. energy: -1.567
local terms energy: -277.061192
where:
bonds (distance) C4'-P energy: -52.046
bonds (distance) P-C4' energy: -59.622
flat angles C4'-P-C4' energy: -59.962
flat angles P-C4'-P energy: -39.104
tors. eta vs tors. theta energy: -66.327
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: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -925.829934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.829934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.829934 (E_RNA)
where:
Base-Base interactions energy: -643.354
where: short stacking energy: -289.427
Base-Backbone interact. energy: -0.384
local terms energy: -282.091942
where:
bonds (distance) C4'-P energy: -52.002
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -62.088
flat angles P-C4'-P energy: -44.146
tors. eta vs tors. theta energy: -73.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -811.215393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.215393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.215393 (E_RNA)
where:
Base-Base interactions energy: -530.405
where: short stacking energy: -237.684
Base-Backbone interact. energy: -1.638
local terms energy: -279.172637
where:
bonds (distance) C4'-P energy: -60.907
bonds (distance) P-C4' energy: -55.642
flat angles C4'-P-C4' energy: -64.800
flat angles P-C4'-P energy: -38.802
tors. eta vs tors. theta energy: -59.022
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: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -786.845681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.845681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.845681 (E_RNA)
where:
Base-Base interactions energy: -531.433
where: short stacking energy: -232.347
Base-Backbone interact. energy: -0.545
local terms energy: -254.867854
where:
bonds (distance) C4'-P energy: -48.980
bonds (distance) P-C4' energy: -53.471
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -58.112
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: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -674.181392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.181392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.181392 (E_RNA)
where:
Base-Base interactions energy: -427.913
where: short stacking energy: -186.128
Base-Backbone interact. energy: -2.779
local terms energy: -243.489186
where:
bonds (distance) C4'-P energy: -54.047
bonds (distance) P-C4' energy: -54.655
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -40.744
tors. eta vs tors. theta energy: -35.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -589.174906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.174906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.174906 (E_RNA)
where:
Base-Base interactions energy: -386.908
where: short stacking energy: -174.349
Base-Backbone interact. energy: -1.015
local terms energy: -201.251458
where:
bonds (distance) C4'-P energy: -50.985
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -35.823
flat angles P-C4'-P energy: -45.784
tors. eta vs tors. theta energy: -23.334
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: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -518.244406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.244406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.244406 (E_RNA)
where:
Base-Base interactions energy: -316.779
where: short stacking energy: -157.373
Base-Backbone interact. energy: 0.579
local terms energy: -202.044425
where:
bonds (distance) C4'-P energy: -46.151
bonds (distance) P-C4' energy: -51.952
flat angles C4'-P-C4' energy: -67.697
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -23.846
Dist. restrs. and SS energy: 0.000 (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: 84
Temperature: 1.350000
Total energy: -258.633459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.633459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.633459 (E_RNA)
where:
Base-Base interactions energy: -97.945
where: short stacking energy: -63.260
Base-Backbone interact. energy: 3.897
local terms energy: -164.585331
where:
bonds (distance) C4'-P energy: -48.239
bonds (distance) P-C4' energy: -60.317
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: 15.803
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: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1053.063610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.063610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.063610 (E_RNA)
where:
Base-Base interactions energy: -734.729
where: short stacking energy: -314.149
Base-Backbone interact. energy: -4.083
local terms energy: -314.252143
where:
bonds (distance) C4'-P energy: -63.612
bonds (distance) P-C4' energy: -51.545
flat angles C4'-P-C4' energy: -74.670
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -82.518
Dist. restrs. and SS energy: 0.000 (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: 85
Temperature: 0.950000
Total energy: -1042.100737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.100737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.100737 (E_RNA)
where:
Base-Base interactions energy: -707.190
where: short stacking energy: -305.955
Base-Backbone interact. energy: -2.817
local terms energy: -332.094108
where:
bonds (distance) C4'-P energy: -65.688
bonds (distance) P-C4' energy: -65.463
flat angles C4'-P-C4' energy: -70.108
flat angles P-C4'-P energy: -48.420
tors. eta vs tors. theta energy: -82.414
Dist. restrs. and SS energy: 0.000 (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: 85
Temperature: 1.000000
Total energy: -962.715954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.715954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.715954 (E_RNA)
where:
Base-Base interactions energy: -667.869
where: short stacking energy: -283.206
Base-Backbone interact. energy: -2.413
local terms energy: -292.433996
where:
bonds (distance) C4'-P energy: -53.168
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -57.944
flat angles P-C4'-P energy: -38.926
tors. eta vs tors. theta energy: -77.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -941.276013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.276013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.276013 (E_RNA)
where:
Base-Base interactions energy: -653.744
where: short stacking energy: -277.999
Base-Backbone interact. energy: -0.453
local terms energy: -287.078773
where:
bonds (distance) C4'-P energy: -50.742
bonds (distance) P-C4' energy: -54.606
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -39.623
tors. eta vs tors. theta energy: -72.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -792.764025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.764025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.764025 (E_RNA)
where:
Base-Base interactions energy: -527.285
where: short stacking energy: -242.334
Base-Backbone interact. energy: -0.464
local terms energy: -265.015126
where:
bonds (distance) C4'-P energy: -46.488
bonds (distance) P-C4' energy: -57.800
flat angles C4'-P-C4' energy: -49.641
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -67.693
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: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -772.665197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.665197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.665197 (E_RNA)
where:
Base-Base interactions energy: -503.176
where: short stacking energy: -211.349
Base-Backbone interact. energy: -0.914
local terms energy: -268.575512
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -53.748
flat angles C4'-P-C4' energy: -57.961
flat angles P-C4'-P energy: -35.257
tors. eta vs tors. theta energy: -61.057
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: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -634.794757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.794757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.794757 (E_RNA)
where:
Base-Base interactions energy: -424.740
where: short stacking energy: -192.459
Base-Backbone interact. energy: 0.677
local terms energy: -210.732294
where:
bonds (distance) C4'-P energy: -45.856
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -47.785
flat angles P-C4'-P energy: -42.597
tors. eta vs tors. theta energy: -39.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -587.532821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.532821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.532821 (E_RNA)
where:
Base-Base interactions energy: -380.071
where: short stacking energy: -176.531
Base-Backbone interact. energy: 3.045
local terms energy: -210.506740
where:
bonds (distance) C4'-P energy: -41.240
bonds (distance) P-C4' energy: -50.384
flat angles C4'-P-C4' energy: -51.425
flat angles P-C4'-P energy: -35.148
tors. eta vs tors. theta energy: -32.310
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: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -593.812610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.812610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.812610 (E_RNA)
where:
Base-Base interactions energy: -382.960
where: short stacking energy: -168.658
Base-Backbone interact. energy: -1.908
local terms energy: -208.944381
where:
bonds (distance) C4'-P energy: -53.269
bonds (distance) P-C4' energy: -42.580
flat angles C4'-P-C4' energy: -51.477
flat angles P-C4'-P energy: -32.566
tors. eta vs tors. theta energy: -29.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -260.451088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.451088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.451088 (E_RNA)
where:
Base-Base interactions energy: -109.658
where: short stacking energy: -88.946
Base-Backbone interact. energy: 2.141
local terms energy: -152.934255
where:
bonds (distance) C4'-P energy: -47.880
bonds (distance) P-C4' energy: -42.174
flat angles C4'-P-C4' energy: -46.861
flat angles P-C4'-P energy: -18.335
tors. eta vs tors. theta energy: 2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1051.149502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.149502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.149502 (E_RNA)
where:
Base-Base interactions energy: -726.647
where: short stacking energy: -310.486
Base-Backbone interact. energy: -3.131
local terms energy: -321.371476
where:
bonds (distance) C4'-P energy: -63.300
bonds (distance) P-C4' energy: -53.804
flat angles C4'-P-C4' energy: -65.719
flat angles P-C4'-P energy: -47.012
tors. eta vs tors. theta energy: -91.537
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: 2, replica: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1031.374788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.374788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.374788 (E_RNA)
where:
Base-Base interactions energy: -721.280
where: short stacking energy: -308.553
Base-Backbone interact. energy: -2.199
local terms energy: -307.896246
where:
bonds (distance) C4'-P energy: -64.930
bonds (distance) P-C4' energy: -46.468
flat angles C4'-P-C4' energy: -67.579
flat angles P-C4'-P energy: -46.366
tors. eta vs tors. theta energy: -82.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -975.531836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.531836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.531836 (E_RNA)
where:
Base-Base interactions energy: -689.449
where: short stacking energy: -277.372
Base-Backbone interact. energy: -1.503
local terms energy: -284.579752
where:
bonds (distance) C4'-P energy: -58.416
bonds (distance) P-C4' energy: -51.127
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -42.123
tors. eta vs tors. theta energy: -69.111
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: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -927.559389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.559389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.559389 (E_RNA)
where:
Base-Base interactions energy: -636.798
where: short stacking energy: -260.312
Base-Backbone interact. energy: -0.374
local terms energy: -290.387502
where:
bonds (distance) C4'-P energy: -64.806
bonds (distance) P-C4' energy: -56.074
flat angles C4'-P-C4' energy: -57.728
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: -66.651
Dist. restrs. and SS energy: 0.000 (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: 86
Temperature: 1.100000
Total energy: -785.148829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.148829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.148829 (E_RNA)
where:
Base-Base interactions energy: -527.806
where: short stacking energy: -260.723
Base-Backbone interact. energy: -0.252
local terms energy: -257.091480
where:
bonds (distance) C4'-P energy: -45.855
bonds (distance) P-C4' energy: -56.251
flat angles C4'-P-C4' energy: -53.601
flat angles P-C4'-P energy: -33.514
tors. eta vs tors. theta energy: -67.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -785.182703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.182703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.182703 (E_RNA)
where:
Base-Base interactions energy: -510.107
where: short stacking energy: -231.533
Base-Backbone interact. energy: -0.579
local terms energy: -274.496950
where:
bonds (distance) C4'-P energy: -51.019
bonds (distance) P-C4' energy: -61.596
flat angles C4'-P-C4' energy: -62.672
flat angles P-C4'-P energy: -36.049
tors. eta vs tors. theta energy: -63.160
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: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -649.616949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.616949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.616949 (E_RNA)
where:
Base-Base interactions energy: -425.185
where: short stacking energy: -195.636
Base-Backbone interact. energy: 1.184
local terms energy: -225.615771
where:
bonds (distance) C4'-P energy: -53.083
bonds (distance) P-C4' energy: -50.486
flat angles C4'-P-C4' energy: -57.979
flat angles P-C4'-P energy: -34.870
tors. eta vs tors. theta energy: -29.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -599.376253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.376253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.376253 (E_RNA)
where:
Base-Base interactions energy: -382.544
where: short stacking energy: -167.823
Base-Backbone interact. energy: -0.834
local terms energy: -215.998275
where:
bonds (distance) C4'-P energy: -47.016
bonds (distance) P-C4' energy: -53.232
flat angles C4'-P-C4' energy: -57.027
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -23.521
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: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -590.718134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.718134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.718134 (E_RNA)
where:
Base-Base interactions energy: -389.005
where: short stacking energy: -174.389
Base-Backbone interact. energy: 2.341
local terms energy: -204.054532
where:
bonds (distance) C4'-P energy: -49.796
bonds (distance) P-C4' energy: -45.622
flat angles C4'-P-C4' energy: -50.324
flat angles P-C4'-P energy: -19.926
tors. eta vs tors. theta energy: -38.387
Dist. restrs. and SS energy: 0.000 (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: 86
Temperature: 1.350000
Total energy: -256.577458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.577458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.577458 (E_RNA)
where:
Base-Base interactions energy: -92.621
where: short stacking energy: -76.589
Base-Backbone interact. energy: -1.619
local terms energy: -162.337706
where:
bonds (distance) C4'-P energy: -55.309
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -37.223
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: 2.940
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: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1072.541382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.541382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.541382 (E_RNA)
where:
Base-Base interactions energy: -729.780
where: short stacking energy: -316.496
Base-Backbone interact. energy: -2.333
local terms energy: -340.428213
where:
bonds (distance) C4'-P energy: -65.730
bonds (distance) P-C4' energy: -63.873
flat angles C4'-P-C4' energy: -67.680
flat angles P-C4'-P energy: -53.203
tors. eta vs tors. theta energy: -89.943
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: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1019.721838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.721838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.721838 (E_RNA)
where:
Base-Base interactions energy: -712.146
where: short stacking energy: -304.168
Base-Backbone interact. energy: -2.977
local terms energy: -304.598068
where:
bonds (distance) C4'-P energy: -55.338
bonds (distance) P-C4' energy: -59.814
flat angles C4'-P-C4' energy: -64.483
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -85.660
Dist. restrs. and SS energy: 0.000 (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: 87
Temperature: 1.000000
Total energy: -953.662307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.662307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.662307 (E_RNA)
where:
Base-Base interactions energy: -675.964
where: short stacking energy: -269.600
Base-Backbone interact. energy: -0.354
local terms energy: -277.343962
where:
bonds (distance) C4'-P energy: -55.864
bonds (distance) P-C4' energy: -58.703
flat angles C4'-P-C4' energy: -61.849
flat angles P-C4'-P energy: -29.760
tors. eta vs tors. theta energy: -71.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -963.417729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.417729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.417729 (E_RNA)
where:
Base-Base interactions energy: -669.659
where: short stacking energy: -294.010
Base-Backbone interact. energy: 0.562
local terms energy: -294.320736
where:
bonds (distance) C4'-P energy: -56.077
bonds (distance) P-C4' energy: -54.899
flat angles C4'-P-C4' energy: -60.187
flat angles P-C4'-P energy: -48.058
tors. eta vs tors. theta energy: -75.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -777.649713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.649713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.649713 (E_RNA)
where:
Base-Base interactions energy: -501.826
where: short stacking energy: -233.522
Base-Backbone interact. energy: 0.066
local terms energy: -275.889753
where:
bonds (distance) C4'-P energy: -56.149
bonds (distance) P-C4' energy: -53.707
flat angles C4'-P-C4' energy: -60.317
flat angles P-C4'-P energy: -42.803
tors. eta vs tors. theta energy: -62.914
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: 6, replica: 1
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -751.147636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.147636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.147636 (E_RNA)
where:
Base-Base interactions energy: -497.999
where: short stacking energy: -240.271
Base-Backbone interact. energy: -1.511
local terms energy: -251.636834
where:
bonds (distance) C4'-P energy: -55.570
bonds (distance) P-C4' energy: -56.143
flat angles C4'-P-C4' energy: -59.006
flat angles P-C4'-P energy: -27.574
tors. eta vs tors. theta energy: -53.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -635.152689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.152689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.152689 (E_RNA)
where:
Base-Base interactions energy: -387.388
where: short stacking energy: -185.781
Base-Backbone interact. energy: -1.476
local terms energy: -246.289227
where:
bonds (distance) C4'-P energy: -56.978
bonds (distance) P-C4' energy: -60.948
flat angles C4'-P-C4' energy: -54.610
flat angles P-C4'-P energy: -32.919
tors. eta vs tors. theta energy: -40.834
Dist. restrs. and SS energy: 0.000 (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: 87
Temperature: 1.250000
Total energy: -570.884285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.884285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.884285 (E_RNA)
where:
Base-Base interactions energy: -338.080
where: short stacking energy: -161.760
Base-Backbone interact. energy: -0.165
local terms energy: -232.639059
where:
bonds (distance) C4'-P energy: -55.430
bonds (distance) P-C4' energy: -64.292
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -35.785
Dist. restrs. and SS energy: 0.000 (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: 87
Temperature: 1.300000
Total energy: -590.048137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.048137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.048137 (E_RNA)
where:
Base-Base interactions energy: -396.038
where: short stacking energy: -153.807
Base-Backbone interact. energy: -1.199
local terms energy: -192.811772
where:
bonds (distance) C4'-P energy: -42.800
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -48.724
flat angles P-C4'-P energy: -25.390
tors. eta vs tors. theta energy: -26.712
Dist. restrs. and SS energy: 0.000 (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: 87
Temperature: 1.350000
Total energy: -284.649063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.649063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.649063 (E_RNA)
where:
Base-Base interactions energy: -126.482
where: short stacking energy: -78.009
Base-Backbone interact. energy: -1.632
local terms energy: -156.534605
where:
bonds (distance) C4'-P energy: -50.223
bonds (distance) P-C4' energy: -53.497
flat angles C4'-P-C4' energy: -41.560
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1059.149952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.149952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.149952 (E_RNA)
where:
Base-Base interactions energy: -746.462
where: short stacking energy: -312.062
Base-Backbone interact. energy: -2.172
local terms energy: -310.516044
where:
bonds (distance) C4'-P energy: -62.657
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -63.806
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -91.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1029.812820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.812820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.812820 (E_RNA)
where:
Base-Base interactions energy: -712.540
where: short stacking energy: -307.999
Base-Backbone interact. energy: 0.808
local terms energy: -318.080940
where:
bonds (distance) C4'-P energy: -55.220
bonds (distance) P-C4' energy: -63.585
flat angles C4'-P-C4' energy: -67.272
flat angles P-C4'-P energy: -47.473
tors. eta vs tors. theta energy: -84.530
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: 3, replica: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -969.304221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.304221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.304221 (E_RNA)
where:
Base-Base interactions energy: -675.809
where: short stacking energy: -272.050
Base-Backbone interact. energy: -0.960
local terms energy: -292.534647
where:
bonds (distance) C4'-P energy: -59.283
bonds (distance) P-C4' energy: -54.142
flat angles C4'-P-C4' energy: -60.536
flat angles P-C4'-P energy: -48.394
tors. eta vs tors. theta energy: -70.180
Dist. restrs. and SS energy: 0.000 (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: 88
Temperature: 1.050000
Total energy: -934.003812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.003812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.003812 (E_RNA)
where:
Base-Base interactions energy: -655.598
where: short stacking energy: -279.184
Base-Backbone interact. energy: -1.304
local terms energy: -277.101345
where:
bonds (distance) C4'-P energy: -44.697
bonds (distance) P-C4' energy: -52.306
flat angles C4'-P-C4' energy: -65.819
flat angles P-C4'-P energy: -43.068
tors. eta vs tors. theta energy: -71.211
Dist. restrs. and SS energy: 0.000 (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: 88
Temperature: 1.100000
Total energy: -814.643093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.643093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.643093 (E_RNA)
where:
Base-Base interactions energy: -523.622
where: short stacking energy: -245.989
Base-Backbone interact. energy: 1.559
local terms energy: -292.580932
where:
bonds (distance) C4'-P energy: -54.201
bonds (distance) P-C4' energy: -58.374
flat angles C4'-P-C4' energy: -67.176
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -68.051
Dist. restrs. and SS energy: 0.000 (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: 88
Temperature: 1.150000
Total energy: -773.004960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.004960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.004960 (E_RNA)
where:
Base-Base interactions energy: -527.890
where: short stacking energy: -240.381
Base-Backbone interact. energy: 1.790
local terms energy: -246.904241
where:
bonds (distance) C4'-P energy: -47.238
bonds (distance) P-C4' energy: -45.038
flat angles C4'-P-C4' energy: -65.070
flat angles P-C4'-P energy: -32.876
tors. eta vs tors. theta energy: -56.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -695.814689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.814689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.814689 (E_RNA)
where:
Base-Base interactions energy: -461.260
where: short stacking energy: -205.124
Base-Backbone interact. energy: 0.692
local terms energy: -235.246650
where:
bonds (distance) C4'-P energy: -45.771
bonds (distance) P-C4' energy: -54.818
flat angles C4'-P-C4' energy: -49.151
flat angles P-C4'-P energy: -38.375
tors. eta vs tors. theta energy: -47.132
Dist. restrs. and SS energy: 0.000 (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: 88
Temperature: 1.250000
Total energy: -575.200140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.200140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.200140 (E_RNA)
where:
Base-Base interactions energy: -354.609
where: short stacking energy: -179.779
Base-Backbone interact. energy: -0.511
local terms energy: -220.079828
where:
bonds (distance) C4'-P energy: -33.658
bonds (distance) P-C4' energy: -62.843
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: -28.326
Dist. restrs. and SS energy: 0.000 (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: 88
Temperature: 1.300000
Total energy: -602.649907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.649907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.649907 (E_RNA)
where:
Base-Base interactions energy: -372.738
where: short stacking energy: -175.095
Base-Backbone interact. energy: 1.520
local terms energy: -231.431072
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -52.611
flat angles C4'-P-C4' energy: -55.050
flat angles P-C4'-P energy: -32.946
tors. eta vs tors. theta energy: -40.850
Dist. restrs. and SS energy: 0.000 (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: 88
Temperature: 1.350000
Total energy: -282.138079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.138079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.138079 (E_RNA)
where:
Base-Base interactions energy: -100.842
where: short stacking energy: -82.671
Base-Backbone interact. energy: -0.854
local terms energy: -180.442036
where:
bonds (distance) C4'-P energy: -50.853
bonds (distance) P-C4' energy: -50.042
flat angles C4'-P-C4' energy: -49.739
flat angles P-C4'-P energy: -25.956
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1070.030217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.030217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.030217 (E_RNA)
where:
Base-Base interactions energy: -733.811
where: short stacking energy: -314.100
Base-Backbone interact. energy: -0.420
local terms energy: -335.799432
where:
bonds (distance) C4'-P energy: -66.051
bonds (distance) P-C4' energy: -57.641
flat angles C4'-P-C4' energy: -68.949
flat angles P-C4'-P energy: -51.011
tors. eta vs tors. theta energy: -92.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1018.678587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.678587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.678587 (E_RNA)
where:
Base-Base interactions energy: -722.080
where: short stacking energy: -310.104
Base-Backbone interact. energy: -0.400
local terms energy: -296.198102
where:
bonds (distance) C4'-P energy: -56.154
bonds (distance) P-C4' energy: -47.428
flat angles C4'-P-C4' energy: -67.996
flat angles P-C4'-P energy: -36.047
tors. eta vs tors. theta energy: -88.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -996.310389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.310389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.310389 (E_RNA)
where:
Base-Base interactions energy: -683.779
where: short stacking energy: -289.795
Base-Backbone interact. energy: -1.283
local terms energy: -311.249096
where:
bonds (distance) C4'-P energy: -58.911
bonds (distance) P-C4' energy: -66.187
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: -84.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -901.086684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.086684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.086684 (E_RNA)
where:
Base-Base interactions energy: -604.503
where: short stacking energy: -256.901
Base-Backbone interact. energy: -2.580
local terms energy: -294.002824
where:
bonds (distance) C4'-P energy: -58.111
bonds (distance) P-C4' energy: -62.682
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -43.262
tors. eta vs tors. theta energy: -67.681
Dist. restrs. and SS energy: 0.000 (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: 89
Temperature: 1.100000
Total energy: -768.288328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.288328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.288328 (E_RNA)
where:
Base-Base interactions energy: -505.158
where: short stacking energy: -242.993
Base-Backbone interact. energy: -1.055
local terms energy: -262.075190
where:
bonds (distance) C4'-P energy: -51.899
bonds (distance) P-C4' energy: -44.173
flat angles C4'-P-C4' energy: -61.443
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -66.672
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: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -809.169419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.169419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.169419 (E_RNA)
where:
Base-Base interactions energy: -546.501
where: short stacking energy: -264.713
Base-Backbone interact. energy: -0.669
local terms energy: -262.000123
where:
bonds (distance) C4'-P energy: -44.431
bonds (distance) P-C4' energy: -53.965
flat angles C4'-P-C4' energy: -55.290
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -68.966
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: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -707.007007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.007007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.007007 (E_RNA)
where:
Base-Base interactions energy: -475.748
where: short stacking energy: -222.127
Base-Backbone interact. energy: -1.262
local terms energy: -229.997387
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -48.190
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -54.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -607.503282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.503282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.503282 (E_RNA)
where:
Base-Base interactions energy: -391.306
where: short stacking energy: -170.024
Base-Backbone interact. energy: 0.519
local terms energy: -216.716595
where:
bonds (distance) C4'-P energy: -45.375
bonds (distance) P-C4' energy: -35.867
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -46.515
tors. eta vs tors. theta energy: -32.452
Dist. restrs. and SS energy: 0.000 (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: 89
Temperature: 1.300000
Total energy: -504.920584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.920584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.920584 (E_RNA)
where:
Base-Base interactions energy: -298.644
where: short stacking energy: -145.619
Base-Backbone interact. energy: -4.651
local terms energy: -201.625098
where:
bonds (distance) C4'-P energy: -39.758
bonds (distance) P-C4' energy: -47.913
flat angles C4'-P-C4' energy: -53.756
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -28.168
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: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -242.125183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.125183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.125183 (E_RNA)
where:
Base-Base interactions energy: -78.076
where: short stacking energy: -64.723
Base-Backbone interact. energy: -0.107
local terms energy: -163.941510
where:
bonds (distance) C4'-P energy: -43.939
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -45.048
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: 5.058
Dist. restrs. and SS energy: 0.000 (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: 90
Temperature: 0.900000
Total energy: -1046.063998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.063998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.063998 (E_RNA)
where:
Base-Base interactions energy: -726.753
where: short stacking energy: -310.689
Base-Backbone interact. energy: -0.919
local terms energy: -318.392483
where:
bonds (distance) C4'-P energy: -62.473
bonds (distance) P-C4' energy: -58.051
flat angles C4'-P-C4' energy: -61.330
flat angles P-C4'-P energy: -51.703
tors. eta vs tors. theta energy: -84.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1042.669993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.669993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.669993 (E_RNA)
where:
Base-Base interactions energy: -724.902
where: short stacking energy: -320.185
Base-Backbone interact. energy: -0.718
local terms energy: -317.049934
where:
bonds (distance) C4'-P energy: -60.786
bonds (distance) P-C4' energy: -64.409
flat angles C4'-P-C4' energy: -64.910
flat angles P-C4'-P energy: -44.490
tors. eta vs tors. theta energy: -82.456
Dist. restrs. and SS energy: 0.000 (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: 90
Temperature: 1.000000
Total energy: -933.050340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.050340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.050340 (E_RNA)
where:
Base-Base interactions energy: -667.614
where: short stacking energy: -273.182
Base-Backbone interact. energy: -2.673
local terms energy: -262.763670
where:
bonds (distance) C4'-P energy: -53.643
bonds (distance) P-C4' energy: -60.353
flat angles C4'-P-C4' energy: -49.463
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -62.752
Dist. restrs. and SS energy: 0.000 (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: 90
Temperature: 1.050000
Total energy: -960.496774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.496774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.496774 (E_RNA)
where:
Base-Base interactions energy: -679.639
where: short stacking energy: -272.037
Base-Backbone interact. energy: -1.639
local terms energy: -279.218633
where:
bonds (distance) C4'-P energy: -47.457
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -63.104
flat angles P-C4'-P energy: -49.573
tors. eta vs tors. theta energy: -73.805
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: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -796.931394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.931394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.931394 (E_RNA)
where:
Base-Base interactions energy: -527.207
where: short stacking energy: -255.806
Base-Backbone interact. energy: -0.659
local terms energy: -269.065819
where:
bonds (distance) C4'-P energy: -56.472
bonds (distance) P-C4' energy: -52.838
flat angles C4'-P-C4' energy: -59.231
flat angles P-C4'-P energy: -34.248
tors. eta vs tors. theta energy: -66.277
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: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -775.259169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.259169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.259169 (E_RNA)
where:
Base-Base interactions energy: -513.239
where: short stacking energy: -227.877
Base-Backbone interact. energy: -0.416
local terms energy: -261.604413
where:
bonds (distance) C4'-P energy: -55.646
bonds (distance) P-C4' energy: -47.302
flat angles C4'-P-C4' energy: -62.004
flat angles P-C4'-P energy: -39.618
tors. eta vs tors. theta energy: -57.034
Dist. restrs. and SS energy: 0.000 (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: 90
Temperature: 1.200000
Total energy: -672.844113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.844113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.844113 (E_RNA)
where:
Base-Base interactions energy: -415.838
where: short stacking energy: -200.870
Base-Backbone interact. energy: -0.858
local terms energy: -256.148048
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -50.877
flat angles C4'-P-C4' energy: -57.022
flat angles P-C4'-P energy: -34.869
tors. eta vs tors. theta energy: -56.213
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: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -638.378471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.378471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.378471 (E_RNA)
where:
Base-Base interactions energy: -412.104
where: short stacking energy: -174.242
Base-Backbone interact. energy: 2.007
local terms energy: -228.281046
where:
bonds (distance) C4'-P energy: -55.386
bonds (distance) P-C4' energy: -59.227
flat angles C4'-P-C4' energy: -50.251
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -32.861
Dist. restrs. and SS energy: 0.000 (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: 90
Temperature: 1.300000
Total energy: -513.014179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.014179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.014179 (E_RNA)
where:
Base-Base interactions energy: -300.123
where: short stacking energy: -140.460
Base-Backbone interact. energy: -1.485
local terms energy: -211.405513
where:
bonds (distance) C4'-P energy: -42.268
bonds (distance) P-C4' energy: -60.698
flat angles C4'-P-C4' energy: -42.407
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -266.274627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.274627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.274627 (E_RNA)
where:
Base-Base interactions energy: -90.648
where: short stacking energy: -90.391
Base-Backbone interact. energy: 1.351
local terms energy: -176.977691
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -50.182
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -41.282
tors. eta vs tors. theta energy: 7.019
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: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1049.110860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.110860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.110860 (E_RNA)
where:
Base-Base interactions energy: -712.341
where: short stacking energy: -310.001
Base-Backbone interact. energy: -0.547
local terms energy: -336.222723
where:
bonds (distance) C4'-P energy: -60.523
bonds (distance) P-C4' energy: -68.680
flat angles C4'-P-C4' energy: -67.818
flat angles P-C4'-P energy: -46.213
tors. eta vs tors. theta energy: -92.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1046.839902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.839902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.839902 (E_RNA)
where:
Base-Base interactions energy: -725.893
where: short stacking energy: -305.466
Base-Backbone interact. energy: -3.939
local terms energy: -317.007750
where:
bonds (distance) C4'-P energy: -50.032
bonds (distance) P-C4' energy: -67.378
flat angles C4'-P-C4' energy: -64.058
flat angles P-C4'-P energy: -48.915
tors. eta vs tors. theta energy: -86.625
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: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -946.662119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.662119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.662119 (E_RNA)
where:
Base-Base interactions energy: -657.749
where: short stacking energy: -275.903
Base-Backbone interact. energy: -0.760
local terms energy: -288.153530
where:
bonds (distance) C4'-P energy: -55.480
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -64.432
flat angles P-C4'-P energy: -43.774
tors. eta vs tors. theta energy: -66.223
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: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -953.890151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.890151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.890151 (E_RNA)
where:
Base-Base interactions energy: -653.365
where: short stacking energy: -270.450
Base-Backbone interact. energy: -0.251
local terms energy: -300.274228
where:
bonds (distance) C4'-P energy: -52.750
bonds (distance) P-C4' energy: -67.528
flat angles C4'-P-C4' energy: -67.765
flat angles P-C4'-P energy: -42.650
tors. eta vs tors. theta energy: -69.581
Dist. restrs. and SS energy: 0.000 (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: 91
Temperature: 1.100000
Total energy: -792.207648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.207648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.207648 (E_RNA)
where:
Base-Base interactions energy: -516.957
where: short stacking energy: -243.768
Base-Backbone interact. energy: -2.916
local terms energy: -272.334215
where:
bonds (distance) C4'-P energy: -52.534
bonds (distance) P-C4' energy: -57.110
flat angles C4'-P-C4' energy: -59.387
flat angles P-C4'-P energy: -40.306
tors. eta vs tors. theta energy: -62.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -789.901974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.901974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.901974 (E_RNA)
where:
Base-Base interactions energy: -523.989
where: short stacking energy: -228.539
Base-Backbone interact. energy: -1.308
local terms energy: -264.605402
where:
bonds (distance) C4'-P energy: -49.640
bonds (distance) P-C4' energy: -55.843
flat angles C4'-P-C4' energy: -61.045
flat angles P-C4'-P energy: -41.825
tors. eta vs tors. theta energy: -56.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -675.025458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.025458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.025458 (E_RNA)
where:
Base-Base interactions energy: -439.436
where: short stacking energy: -207.360
Base-Backbone interact. energy: -0.596
local terms energy: -234.993683
where:
bonds (distance) C4'-P energy: -49.742
bonds (distance) P-C4' energy: -54.634
flat angles C4'-P-C4' energy: -49.651
flat angles P-C4'-P energy: -37.056
tors. eta vs tors. theta energy: -43.910
Dist. restrs. and SS energy: 0.000 (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: 91
Temperature: 1.250000
Total energy: -649.693926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.693926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.693926 (E_RNA)
where:
Base-Base interactions energy: -442.101
where: short stacking energy: -207.237
Base-Backbone interact. energy: 5.096
local terms energy: -212.689645
where:
bonds (distance) C4'-P energy: -45.460
bonds (distance) P-C4' energy: -59.752
flat angles C4'-P-C4' energy: -46.576
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -45.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -517.883549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.883549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.883549 (E_RNA)
where:
Base-Base interactions energy: -314.760
where: short stacking energy: -168.449
Base-Backbone interact. energy: -0.656
local terms energy: -202.467135
where:
bonds (distance) C4'-P energy: -49.044
bonds (distance) P-C4' energy: -48.806
flat angles C4'-P-C4' energy: -43.789
flat angles P-C4'-P energy: -31.271
tors. eta vs tors. theta energy: -29.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -249.615514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.615514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.615514 (E_RNA)
where:
Base-Base interactions energy: -93.651
where: short stacking energy: -77.344
Base-Backbone interact. energy: 1.763
local terms energy: -157.726829
where:
bonds (distance) C4'-P energy: -47.863
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -45.347
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -2.912
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: 1, replica: 8
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1045.297626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.297626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.297626 (E_RNA)
where:
Base-Base interactions energy: -724.635
where: short stacking energy: -324.109
Base-Backbone interact. energy: -1.415
local terms energy: -319.247494
where:
bonds (distance) C4'-P energy: -50.966
bonds (distance) P-C4' energy: -66.582
flat angles C4'-P-C4' energy: -67.820
flat angles P-C4'-P energy: -44.367
tors. eta vs tors. theta energy: -89.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1025.138339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.138339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.138339 (E_RNA)
where:
Base-Base interactions energy: -706.366
where: short stacking energy: -312.235
Base-Backbone interact. energy: -0.427
local terms energy: -318.344983
where:
bonds (distance) C4'-P energy: -58.943
bonds (distance) P-C4' energy: -60.410
flat angles C4'-P-C4' energy: -70.764
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: -79.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -984.090095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.090095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.090095 (E_RNA)
where:
Base-Base interactions energy: -669.599
where: short stacking energy: -280.770
Base-Backbone interact. energy: -0.851
local terms energy: -313.639991
where:
bonds (distance) C4'-P energy: -58.445
bonds (distance) P-C4' energy: -59.053
flat angles C4'-P-C4' energy: -68.268
flat angles P-C4'-P energy: -43.322
tors. eta vs tors. theta energy: -84.554
Dist. restrs. and SS energy: 0.000 (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: 92
Temperature: 1.050000
Total energy: -921.002107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.002107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.002107 (E_RNA)
where:
Base-Base interactions energy: -649.606
where: short stacking energy: -281.831
Base-Backbone interact. energy: -0.477
local terms energy: -270.918330
where:
bonds (distance) C4'-P energy: -45.365
bonds (distance) P-C4' energy: -55.823
flat angles C4'-P-C4' energy: -59.798
flat angles P-C4'-P energy: -37.502
tors. eta vs tors. theta energy: -72.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -828.749948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.749948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.749948 (E_RNA)
where:
Base-Base interactions energy: -560.081
where: short stacking energy: -250.709
Base-Backbone interact. energy: -0.655
local terms energy: -268.014110
where:
bonds (distance) C4'-P energy: -45.062
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -65.245
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (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: 92
Temperature: 1.150000
Total energy: -761.949203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.949203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.949203 (E_RNA)
where:
Base-Base interactions energy: -490.258
where: short stacking energy: -239.057
Base-Backbone interact. energy: -0.344
local terms energy: -271.347073
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -56.853
flat angles C4'-P-C4' energy: -57.567
flat angles P-C4'-P energy: -45.318
tors. eta vs tors. theta energy: -60.240
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: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -680.239716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.239716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.239716 (E_RNA)
where:
Base-Base interactions energy: -450.561
where: short stacking energy: -202.755
Base-Backbone interact. energy: 0.464
local terms energy: -230.142831
where:
bonds (distance) C4'-P energy: -49.380
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -49.344
flat angles P-C4'-P energy: -30.464
tors. eta vs tors. theta energy: -45.287
Dist. restrs. and SS energy: 0.000 (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: 92
Temperature: 1.250000
Total energy: -689.261978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.261978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.261978 (E_RNA)
where:
Base-Base interactions energy: -456.788
where: short stacking energy: -181.872
Base-Backbone interact. energy: -0.183
local terms energy: -232.291032
where:
bonds (distance) C4'-P energy: -58.661
bonds (distance) P-C4' energy: -56.832
flat angles C4'-P-C4' energy: -47.569
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -37.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -494.806249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.806249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.806249 (E_RNA)
where:
Base-Base interactions energy: -293.659
where: short stacking energy: -155.793
Base-Backbone interact. energy: -0.329
local terms energy: -200.818223
where:
bonds (distance) C4'-P energy: -50.170
bonds (distance) P-C4' energy: -39.060
flat angles C4'-P-C4' energy: -51.446
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: 0.000 (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: 92
Temperature: 1.350000
Total energy: -273.585504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.585504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.585504 (E_RNA)
where:
Base-Base interactions energy: -124.033
where: short stacking energy: -103.934
Base-Backbone interact. energy: -1.237
local terms energy: -148.314945
where:
bonds (distance) C4'-P energy: -47.162
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -18.979
tors. eta vs tors. theta energy: 1.359
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: 1, replica: 8
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1023.285869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.285869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.285869 (E_RNA)
where:
Base-Base interactions energy: -709.067
where: short stacking energy: -306.190
Base-Backbone interact. energy: -2.360
local terms energy: -311.858725
where:
bonds (distance) C4'-P energy: -49.126
bonds (distance) P-C4' energy: -62.077
flat angles C4'-P-C4' energy: -69.201
flat angles P-C4'-P energy: -49.461
tors. eta vs tors. theta energy: -81.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1025.336052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.336052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.336052 (E_RNA)
where:
Base-Base interactions energy: -711.725
where: short stacking energy: -306.501
Base-Backbone interact. energy: -0.217
local terms energy: -313.394877
where:
bonds (distance) C4'-P energy: -54.161
bonds (distance) P-C4' energy: -57.086
flat angles C4'-P-C4' energy: -67.908
flat angles P-C4'-P energy: -46.658
tors. eta vs tors. theta energy: -87.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -996.273780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.273780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.273780 (E_RNA)
where:
Base-Base interactions energy: -689.917
where: short stacking energy: -293.042
Base-Backbone interact. energy: -2.669
local terms energy: -303.687946
where:
bonds (distance) C4'-P energy: -54.152
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -70.225
flat angles P-C4'-P energy: -48.737
tors. eta vs tors. theta energy: -77.684
Dist. restrs. and SS energy: 0.000 (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: 93
Temperature: 1.050000
Total energy: -870.575546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.575546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.575546 (E_RNA)
where:
Base-Base interactions energy: -590.949
where: short stacking energy: -240.858
Base-Backbone interact. energy: -1.166
local terms energy: -278.459768
where:
bonds (distance) C4'-P energy: -53.885
bonds (distance) P-C4' energy: -65.196
flat angles C4'-P-C4' energy: -60.072
flat angles P-C4'-P energy: -33.995
tors. eta vs tors. theta energy: -65.312
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: 5, replica: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -821.374867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.374867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.374867 (E_RNA)
where:
Base-Base interactions energy: -561.465
where: short stacking energy: -251.416
Base-Backbone interact. energy: -1.223
local terms energy: -258.686760
where:
bonds (distance) C4'-P energy: -51.224
bonds (distance) P-C4' energy: -58.594
flat angles C4'-P-C4' energy: -54.687
flat angles P-C4'-P energy: -34.556
tors. eta vs tors. theta energy: -59.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -770.957156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.957156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.957156 (E_RNA)
where:
Base-Base interactions energy: -507.473
where: short stacking energy: -241.836
Base-Backbone interact. energy: 0.563
local terms energy: -264.047300
where:
bonds (distance) C4'-P energy: -53.508
bonds (distance) P-C4' energy: -51.949
flat angles C4'-P-C4' energy: -68.087
flat angles P-C4'-P energy: -42.101
tors. eta vs tors. theta energy: -48.401
Dist. restrs. and SS energy: 0.000 (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: 93
Temperature: 1.200000
Total energy: -693.641370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.641370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.641370 (E_RNA)
where:
Base-Base interactions energy: -456.840
where: short stacking energy: -208.860
Base-Backbone interact. energy: -0.343
local terms energy: -236.457493
where:
bonds (distance) C4'-P energy: -47.483
bonds (distance) P-C4' energy: -54.028
flat angles C4'-P-C4' energy: -64.446
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -44.273
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: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -679.320027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.320027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.320027 (E_RNA)
where:
Base-Base interactions energy: -431.639
where: short stacking energy: -183.691
Base-Backbone interact. energy: -1.062
local terms energy: -246.618634
where:
bonds (distance) C4'-P energy: -53.082
bonds (distance) P-C4' energy: -61.124
flat angles C4'-P-C4' energy: -46.938
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -40.397
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: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -501.518501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.518501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.518501 (E_RNA)
where:
Base-Base interactions energy: -286.900
where: short stacking energy: -137.120
Base-Backbone interact. energy: 2.693
local terms energy: -217.311544
where:
bonds (distance) C4'-P energy: -52.074
bonds (distance) P-C4' energy: -46.850
flat angles C4'-P-C4' energy: -58.031
flat angles P-C4'-P energy: -37.023
tors. eta vs tors. theta energy: -23.334
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: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -295.684362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.684362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.684362 (E_RNA)
where:
Base-Base interactions energy: -139.808
where: short stacking energy: -67.412
Base-Backbone interact. energy: 8.651
local terms energy: -164.527175
where:
bonds (distance) C4'-P energy: -40.177
bonds (distance) P-C4' energy: -59.793
flat angles C4'-P-C4' energy: -40.447
flat angles P-C4'-P energy: -28.991
tors. eta vs tors. theta energy: 4.881
Dist. restrs. and SS energy: 0.000 (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: 94
Temperature: 0.900000
Total energy: -1061.509869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.509869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.509869 (E_RNA)
where:
Base-Base interactions energy: -743.424
where: short stacking energy: -316.516
Base-Backbone interact. energy: 1.476
local terms energy: -319.562067
where:
bonds (distance) C4'-P energy: -61.550
bonds (distance) P-C4' energy: -56.152
flat angles C4'-P-C4' energy: -65.997
flat angles P-C4'-P energy: -50.017
tors. eta vs tors. theta energy: -85.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1027.541397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.541397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.541397 (E_RNA)
where:
Base-Base interactions energy: -705.852
where: short stacking energy: -315.806
Base-Backbone interact. energy: -1.277
local terms energy: -320.412634
where:
bonds (distance) C4'-P energy: -59.489
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -67.839
flat angles P-C4'-P energy: -44.793
tors. eta vs tors. theta energy: -89.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -976.783701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.783701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.783701 (E_RNA)
where:
Base-Base interactions energy: -683.854
where: short stacking energy: -292.595
Base-Backbone interact. energy: -3.171
local terms energy: -289.758898
where:
bonds (distance) C4'-P energy: -50.600
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -65.058
flat angles P-C4'-P energy: -40.185
tors. eta vs tors. theta energy: -79.900
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: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -864.604795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.604795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.604795 (E_RNA)
where:
Base-Base interactions energy: -584.939
where: short stacking energy: -248.510
Base-Backbone interact. energy: -1.791
local terms energy: -277.874121
where:
bonds (distance) C4'-P energy: -47.792
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -64.267
flat angles P-C4'-P energy: -38.304
tors. eta vs tors. theta energy: -71.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -822.339298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.339298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.339298 (E_RNA)
where:
Base-Base interactions energy: -547.444
where: short stacking energy: -252.270
Base-Backbone interact. energy: 0.224
local terms energy: -275.118786
where:
bonds (distance) C4'-P energy: -59.975
bonds (distance) P-C4' energy: -54.028
flat angles C4'-P-C4' energy: -64.165
flat angles P-C4'-P energy: -35.525
tors. eta vs tors. theta energy: -61.427
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: 6, replica: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -773.485612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.485612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.485612 (E_RNA)
where:
Base-Base interactions energy: -499.195
where: short stacking energy: -240.543
Base-Backbone interact. energy: -2.290
local terms energy: -272.000744
where:
bonds (distance) C4'-P energy: -51.945
bonds (distance) P-C4' energy: -52.783
flat angles C4'-P-C4' energy: -59.587
flat angles P-C4'-P energy: -45.004
tors. eta vs tors. theta energy: -62.681
Dist. restrs. and SS energy: 0.000 (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: 94
Temperature: 1.200000
Total energy: -767.197012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.197012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.197012 (E_RNA)
where:
Base-Base interactions energy: -503.738
where: short stacking energy: -242.532
Base-Backbone interact. energy: -0.704
local terms energy: -262.754418
where:
bonds (distance) C4'-P energy: -43.562
bonds (distance) P-C4' energy: -61.274
flat angles C4'-P-C4' energy: -55.830
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -65.881
Dist. restrs. and SS energy: 0.000 (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: 94
Temperature: 1.250000
Total energy: -664.240020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.240020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.240020 (E_RNA)
where:
Base-Base interactions energy: -435.687
where: short stacking energy: -191.474
Base-Backbone interact. energy: -0.946
local terms energy: -227.606872
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -48.025
flat angles C4'-P-C4' energy: -52.284
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -39.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -506.339736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.339736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.339736 (E_RNA)
where:
Base-Base interactions energy: -295.906
where: short stacking energy: -159.531
Base-Backbone interact. energy: 0.455
local terms energy: -210.888428
where:
bonds (distance) C4'-P energy: -38.898
bonds (distance) P-C4' energy: -52.444
flat angles C4'-P-C4' energy: -57.257
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (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: 94
Temperature: 1.350000
Total energy: -263.784198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.784198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.784198 (E_RNA)
where:
Base-Base interactions energy: -81.106
where: short stacking energy: -60.848
Base-Backbone interact. energy: 0.400
local terms energy: -183.078736
where:
bonds (distance) C4'-P energy: -45.811
bonds (distance) P-C4' energy: -50.690
flat angles C4'-P-C4' energy: -56.697
flat angles P-C4'-P energy: -33.800
tors. eta vs tors. theta energy: 3.919
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: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1044.802555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.802555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.802555 (E_RNA)
where:
Base-Base interactions energy: -739.214
where: short stacking energy: -323.256
Base-Backbone interact. energy: -0.213
local terms energy: -305.376020
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -52.171
flat angles C4'-P-C4' energy: -74.364
flat angles P-C4'-P energy: -45.666
tors. eta vs tors. theta energy: -88.555
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: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1012.300129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.300129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.300129 (E_RNA)
where:
Base-Base interactions energy: -701.429
where: short stacking energy: -317.023
Base-Backbone interact. energy: -2.385
local terms energy: -308.486065
where:
bonds (distance) C4'-P energy: -56.672
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -56.961
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -89.414
Dist. restrs. and SS energy: 0.000 (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: 95
Temperature: 1.000000
Total energy: -1001.525091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.525091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.525091 (E_RNA)
where:
Base-Base interactions energy: -702.950
where: short stacking energy: -311.545
Base-Backbone interact. energy: -0.377
local terms energy: -298.197613
where:
bonds (distance) C4'-P energy: -55.574
bonds (distance) P-C4' energy: -56.897
flat angles C4'-P-C4' energy: -61.107
flat angles P-C4'-P energy: -45.459
tors. eta vs tors. theta energy: -79.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -873.995779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.995779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.995779 (E_RNA)
where:
Base-Base interactions energy: -591.244
where: short stacking energy: -254.732
Base-Backbone interact. energy: -0.972
local terms energy: -281.780669
where:
bonds (distance) C4'-P energy: -60.284
bonds (distance) P-C4' energy: -61.550
flat angles C4'-P-C4' energy: -61.475
flat angles P-C4'-P energy: -29.032
tors. eta vs tors. theta energy: -69.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -785.175157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.175157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.175157 (E_RNA)
where:
Base-Base interactions energy: -514.175
where: short stacking energy: -251.565
Base-Backbone interact. energy: -2.541
local terms energy: -268.459084
where:
bonds (distance) C4'-P energy: -46.722
bonds (distance) P-C4' energy: -54.490
flat angles C4'-P-C4' energy: -59.402
flat angles P-C4'-P energy: -37.613
tors. eta vs tors. theta energy: -70.232
Dist. restrs. and SS energy: 0.000 (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: 95
Temperature: 1.150000
Total energy: -756.675967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.675967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.675967 (E_RNA)
where:
Base-Base interactions energy: -496.784
where: short stacking energy: -216.511
Base-Backbone interact. energy: -0.800
local terms energy: -259.091936
where:
bonds (distance) C4'-P energy: -56.014
bonds (distance) P-C4' energy: -57.901
flat angles C4'-P-C4' energy: -56.833
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -61.229
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: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -740.308901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.308901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.308901 (E_RNA)
where:
Base-Base interactions energy: -494.649
where: short stacking energy: -219.748
Base-Backbone interact. energy: -2.370
local terms energy: -243.289506
where:
bonds (distance) C4'-P energy: -39.132
bonds (distance) P-C4' energy: -52.177
flat angles C4'-P-C4' energy: -55.994
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -52.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -602.290464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.290464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.290464 (E_RNA)
where:
Base-Base interactions energy: -377.458
where: short stacking energy: -169.007
Base-Backbone interact. energy: -2.231
local terms energy: -222.601669
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -45.173
flat angles C4'-P-C4' energy: -62.470
flat angles P-C4'-P energy: -27.079
tors. eta vs tors. theta energy: -35.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -501.889063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.889063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.889063 (E_RNA)
where:
Base-Base interactions energy: -294.377
where: short stacking energy: -162.551
Base-Backbone interact. energy: -0.934
local terms energy: -206.578483
where:
bonds (distance) C4'-P energy: -50.133
bonds (distance) P-C4' energy: -60.492
flat angles C4'-P-C4' energy: -51.719
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -32.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -291.720124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.720124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.720124 (E_RNA)
where:
Base-Base interactions energy: -125.626
where: short stacking energy: -95.282
Base-Backbone interact. energy: 1.917
local terms energy: -168.010632
where:
bonds (distance) C4'-P energy: -42.942
bonds (distance) P-C4' energy: -59.244
flat angles C4'-P-C4' energy: -46.857
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: 0.937
Dist. restrs. and SS energy: 0.000 (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: 96
Temperature: 0.900000
Total energy: -1036.945874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.945874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.945874 (E_RNA)
where:
Base-Base interactions energy: -724.396
where: short stacking energy: -309.494
Base-Backbone interact. energy: -0.023
local terms energy: -312.526809
where:
bonds (distance) C4'-P energy: -54.321
bonds (distance) P-C4' energy: -55.018
flat angles C4'-P-C4' energy: -70.190
flat angles P-C4'-P energy: -47.568
tors. eta vs tors. theta energy: -85.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1003.145994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.145994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.145994 (E_RNA)
where:
Base-Base interactions energy: -678.105
where: short stacking energy: -302.351
Base-Backbone interact. energy: -0.554
local terms energy: -324.486550
where:
bonds (distance) C4'-P energy: -57.234
bonds (distance) P-C4' energy: -64.913
flat angles C4'-P-C4' energy: -71.404
flat angles P-C4'-P energy: -41.714
tors. eta vs tors. theta energy: -89.222
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: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -985.678881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.678881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.678881 (E_RNA)
where:
Base-Base interactions energy: -681.750
where: short stacking energy: -296.043
Base-Backbone interact. energy: -4.003
local terms energy: -299.926147
where:
bonds (distance) C4'-P energy: -57.986
bonds (distance) P-C4' energy: -49.655
flat angles C4'-P-C4' energy: -69.273
flat angles P-C4'-P energy: -42.929
tors. eta vs tors. theta energy: -80.082
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: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -883.858888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.858888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.858888 (E_RNA)
where:
Base-Base interactions energy: -608.526
where: short stacking energy: -260.532
Base-Backbone interact. energy: -2.034
local terms energy: -273.299002
where:
bonds (distance) C4'-P energy: -58.237
bonds (distance) P-C4' energy: -50.816
flat angles C4'-P-C4' energy: -62.759
flat angles P-C4'-P energy: -41.102
tors. eta vs tors. theta energy: -60.385
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: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -797.816478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.816478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.816478 (E_RNA)
where:
Base-Base interactions energy: -519.813
where: short stacking energy: -241.176
Base-Backbone interact. energy: -0.530
local terms energy: -277.473213
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -55.304
flat angles C4'-P-C4' energy: -67.839
flat angles P-C4'-P energy: -45.855
tors. eta vs tors. theta energy: -61.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -779.385320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.385320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.385320 (E_RNA)
where:
Base-Base interactions energy: -516.036
where: short stacking energy: -241.877
Base-Backbone interact. energy: -0.221
local terms energy: -263.128153
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -62.873
flat angles C4'-P-C4' energy: -52.589
flat angles P-C4'-P energy: -27.069
tors. eta vs tors. theta energy: -67.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -736.002877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.002877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.002877 (E_RNA)
where:
Base-Base interactions energy: -469.738
where: short stacking energy: -205.595
Base-Backbone interact. energy: 1.543
local terms energy: -267.807896
where:
bonds (distance) C4'-P energy: -51.447
bonds (distance) P-C4' energy: -57.844
flat angles C4'-P-C4' energy: -61.831
flat angles P-C4'-P energy: -40.936
tors. eta vs tors. theta energy: -55.751
Dist. restrs. and SS energy: 0.000 (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: 96
Temperature: 1.250000
Total energy: -617.984185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.984185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.984185 (E_RNA)
where:
Base-Base interactions energy: -402.667
where: short stacking energy: -213.020
Base-Backbone interact. energy: 0.244
local terms energy: -215.561723
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -44.728
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -47.887
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: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -473.806047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.806047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.806047 (E_RNA)
where:
Base-Base interactions energy: -288.601
where: short stacking energy: -130.575
Base-Backbone interact. energy: 1.682
local terms energy: -186.887466
where:
bonds (distance) C4'-P energy: -54.131
bonds (distance) P-C4' energy: -42.076
flat angles C4'-P-C4' energy: -39.911
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (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: 96
Temperature: 1.350000
Total energy: -267.394019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.394019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.394019 (E_RNA)
where:
Base-Base interactions energy: -115.049
where: short stacking energy: -85.386
Base-Backbone interact. energy: -0.305
local terms energy: -152.040054
where:
bonds (distance) C4'-P energy: -35.858
bonds (distance) P-C4' energy: -45.202
flat angles C4'-P-C4' energy: -44.727
flat angles P-C4'-P energy: -32.283
tors. eta vs tors. theta energy: 6.031
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: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1032.794230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.794230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.794230 (E_RNA)
where:
Base-Base interactions energy: -708.265
where: short stacking energy: -301.651
Base-Backbone interact. energy: -1.504
local terms energy: -323.024899
where:
bonds (distance) C4'-P energy: -63.935
bonds (distance) P-C4' energy: -63.742
flat angles C4'-P-C4' energy: -63.045
flat angles P-C4'-P energy: -46.311
tors. eta vs tors. theta energy: -85.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1017.668968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.668968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.668968 (E_RNA)
where:
Base-Base interactions energy: -706.823
where: short stacking energy: -312.726
Base-Backbone interact. energy: 0.819
local terms energy: -311.664640
where:
bonds (distance) C4'-P energy: -52.596
bonds (distance) P-C4' energy: -53.819
flat angles C4'-P-C4' energy: -66.090
flat angles P-C4'-P energy: -47.664
tors. eta vs tors. theta energy: -91.496
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: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -985.446312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.446312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.446312 (E_RNA)
where:
Base-Base interactions energy: -701.937
where: short stacking energy: -272.748
Base-Backbone interact. energy: -1.920
local terms energy: -281.588819
where:
bonds (distance) C4'-P energy: -44.136
bonds (distance) P-C4' energy: -57.785
flat angles C4'-P-C4' energy: -64.985
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -79.867
Dist. restrs. and SS energy: 0.000 (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: 97
Temperature: 1.050000
Total energy: -885.955076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.955076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.955076 (E_RNA)
where:
Base-Base interactions energy: -614.146
where: short stacking energy: -247.692
Base-Backbone interact. energy: 0.010
local terms energy: -271.818867
where:
bonds (distance) C4'-P energy: -51.458
bonds (distance) P-C4' energy: -61.145
flat angles C4'-P-C4' energy: -59.401
flat angles P-C4'-P energy: -38.851
tors. eta vs tors. theta energy: -60.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -809.783068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.783068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.783068 (E_RNA)
where:
Base-Base interactions energy: -533.114
where: short stacking energy: -241.738
Base-Backbone interact. energy: -1.328
local terms energy: -275.341379
where:
bonds (distance) C4'-P energy: -57.688
bonds (distance) P-C4' energy: -51.432
flat angles C4'-P-C4' energy: -59.235
flat angles P-C4'-P energy: -35.911
tors. eta vs tors. theta energy: -71.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -796.953243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.953243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.953243 (E_RNA)
where:
Base-Base interactions energy: -545.935
where: short stacking energy: -246.031
Base-Backbone interact. energy: 0.561
local terms energy: -251.578924
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -50.901
flat angles C4'-P-C4' energy: -56.424
flat angles P-C4'-P energy: -34.709
tors. eta vs tors. theta energy: -61.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -703.290454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.290454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.290454 (E_RNA)
where:
Base-Base interactions energy: -456.066
where: short stacking energy: -207.130
Base-Backbone interact. energy: -0.796
local terms energy: -246.428185
where:
bonds (distance) C4'-P energy: -46.432
bonds (distance) P-C4' energy: -62.302
flat angles C4'-P-C4' energy: -42.400
flat angles P-C4'-P energy: -38.667
tors. eta vs tors. theta energy: -56.627
Dist. restrs. and SS energy: 0.000 (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: 97
Temperature: 1.250000
Total energy: -605.297369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.297369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.297369 (E_RNA)
where:
Base-Base interactions energy: -375.300
where: short stacking energy: -179.339
Base-Backbone interact. energy: 0.341
local terms energy: -230.338771
where:
bonds (distance) C4'-P energy: -43.501
bonds (distance) P-C4' energy: -61.542
flat angles C4'-P-C4' energy: -52.749
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -35.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -482.914662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.914662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.914662 (E_RNA)
where:
Base-Base interactions energy: -273.626
where: short stacking energy: -130.774
Base-Backbone interact. energy: 1.014
local terms energy: -210.303158
where:
bonds (distance) C4'-P energy: -59.278
bonds (distance) P-C4' energy: -48.033
flat angles C4'-P-C4' energy: -48.655
flat angles P-C4'-P energy: -40.411
tors. eta vs tors. theta energy: -13.925
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: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -264.304356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.304356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.304356 (E_RNA)
where:
Base-Base interactions energy: -115.803
where: short stacking energy: -81.390
Base-Backbone interact. energy: -1.323
local terms energy: -147.179003
where:
bonds (distance) C4'-P energy: -52.677
bonds (distance) P-C4' energy: -30.019
flat angles C4'-P-C4' energy: -46.081
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (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: 98
Temperature: 0.900000
Total energy: -1042.889018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.889018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.889018 (E_RNA)
where:
Base-Base interactions energy: -718.277
where: short stacking energy: -314.341
Base-Backbone interact. energy: 0.643
local terms energy: -325.255170
where:
bonds (distance) C4'-P energy: -61.479
bonds (distance) P-C4' energy: -61.142
flat angles C4'-P-C4' energy: -66.397
flat angles P-C4'-P energy: -48.072
tors. eta vs tors. theta energy: -88.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1022.499205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.499205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.499205 (E_RNA)
where:
Base-Base interactions energy: -698.494
where: short stacking energy: -313.951
Base-Backbone interact. energy: -0.532
local terms energy: -323.473574
where:
bonds (distance) C4'-P energy: -59.881
bonds (distance) P-C4' energy: -64.014
flat angles C4'-P-C4' energy: -66.797
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -86.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -971.302939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.302939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.302939 (E_RNA)
where:
Base-Base interactions energy: -677.430
where: short stacking energy: -301.906
Base-Backbone interact. energy: -3.082
local terms energy: -290.790323
where:
bonds (distance) C4'-P energy: -43.524
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -64.728
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: -84.719
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: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -891.752013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.752013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.752013 (E_RNA)
where:
Base-Base interactions energy: -615.841
where: short stacking energy: -255.740
Base-Backbone interact. energy: -3.222
local terms energy: -272.689668
where:
bonds (distance) C4'-P energy: -51.932
bonds (distance) P-C4' energy: -61.409
flat angles C4'-P-C4' energy: -56.085
flat angles P-C4'-P energy: -43.106
tors. eta vs tors. theta energy: -60.158
Dist. restrs. and SS energy: 0.000 (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: 98
Temperature: 1.100000
Total energy: -827.546816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.546816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.546816 (E_RNA)
where:
Base-Base interactions energy: -543.827
where: short stacking energy: -255.478
Base-Backbone interact. energy: -1.113
local terms energy: -282.606336
where:
bonds (distance) C4'-P energy: -54.568
bonds (distance) P-C4' energy: -59.286
flat angles C4'-P-C4' energy: -60.317
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -66.794
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: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -777.674238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.674238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.674238 (E_RNA)
where:
Base-Base interactions energy: -511.583
where: short stacking energy: -215.742
Base-Backbone interact. energy: -0.057
local terms energy: -266.034079
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -48.952
flat angles C4'-P-C4' energy: -60.755
flat angles P-C4'-P energy: -45.866
tors. eta vs tors. theta energy: -61.600
Dist. restrs. and SS energy: 0.000 (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: 98
Temperature: 1.200000
Total energy: -769.552643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.552643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.552643 (E_RNA)
where:
Base-Base interactions energy: -510.638
where: short stacking energy: -235.920
Base-Backbone interact. energy: 5.374
local terms energy: -264.289200
where:
bonds (distance) C4'-P energy: -51.647
bonds (distance) P-C4' energy: -60.907
flat angles C4'-P-C4' energy: -54.520
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -63.825
Dist. restrs. and SS energy: 0.000 (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: 98
Temperature: 1.250000
Total energy: -580.668130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.668130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.668130 (E_RNA)
where:
Base-Base interactions energy: -369.669
where: short stacking energy: -169.327
Base-Backbone interact. energy: -1.042
local terms energy: -209.956824
where:
bonds (distance) C4'-P energy: -55.333
bonds (distance) P-C4' energy: -36.278
flat angles C4'-P-C4' energy: -56.252
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -25.415
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: 9, replica: 7
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -484.653929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.653929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.653929 (E_RNA)
where:
Base-Base interactions energy: -299.950
where: short stacking energy: -130.486
Base-Backbone interact. energy: 10.318
local terms energy: -195.021475
where:
bonds (distance) C4'-P energy: -53.579
bonds (distance) P-C4' energy: -58.857
flat angles C4'-P-C4' energy: -37.773
flat angles P-C4'-P energy: -32.009
tors. eta vs tors. theta energy: -12.804
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: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -283.267757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.267757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.267757 (E_RNA)
where:
Base-Base interactions energy: -119.191
where: short stacking energy: -77.544
Base-Backbone interact. energy: -0.905
local terms energy: -163.172188
where:
bonds (distance) C4'-P energy: -41.253
bonds (distance) P-C4' energy: -60.146
flat angles C4'-P-C4' energy: -40.080
flat angles P-C4'-P energy: -28.686
tors. eta vs tors. theta energy: 6.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1038.131411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.131411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.131411 (E_RNA)
where:
Base-Base interactions energy: -704.948
where: short stacking energy: -312.058
Base-Backbone interact. energy: -1.535
local terms energy: -331.648117
where:
bonds (distance) C4'-P energy: -56.601
bonds (distance) P-C4' energy: -72.861
flat angles C4'-P-C4' energy: -69.263
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: -88.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1019.874587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.874587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.874587 (E_RNA)
where:
Base-Base interactions energy: -699.793
where: short stacking energy: -296.078
Base-Backbone interact. energy: 0.119
local terms energy: -320.200759
where:
bonds (distance) C4'-P energy: -61.776
bonds (distance) P-C4' energy: -58.523
flat angles C4'-P-C4' energy: -72.218
flat angles P-C4'-P energy: -42.339
tors. eta vs tors. theta energy: -85.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -959.422997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.422997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.422997 (E_RNA)
where:
Base-Base interactions energy: -655.434
where: short stacking energy: -284.460
Base-Backbone interact. energy: -2.150
local terms energy: -301.838539
where:
bonds (distance) C4'-P energy: -61.639
bonds (distance) P-C4' energy: -53.841
flat angles C4'-P-C4' energy: -63.524
flat angles P-C4'-P energy: -40.419
tors. eta vs tors. theta energy: -82.416
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: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -888.986478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.986478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.986478 (E_RNA)
where:
Base-Base interactions energy: -594.317
where: short stacking energy: -278.355
Base-Backbone interact. energy: 0.151
local terms energy: -294.820421
where:
bonds (distance) C4'-P energy: -49.614
bonds (distance) P-C4' energy: -47.000
flat angles C4'-P-C4' energy: -63.277
flat angles P-C4'-P energy: -47.769
tors. eta vs tors. theta energy: -87.161
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: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -879.971727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.971727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.971727 (E_RNA)
where:
Base-Base interactions energy: -616.289
where: short stacking energy: -251.186
Base-Backbone interact. energy: -0.473
local terms energy: -263.209744
where:
bonds (distance) C4'-P energy: -58.987
bonds (distance) P-C4' energy: -59.862
flat angles C4'-P-C4' energy: -49.132
flat angles P-C4'-P energy: -37.493
tors. eta vs tors. theta energy: -57.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -779.571882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.571882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.571882 (E_RNA)
where:
Base-Base interactions energy: -519.581
where: short stacking energy: -223.952
Base-Backbone interact. energy: -0.801
local terms energy: -259.189996
where:
bonds (distance) C4'-P energy: -52.291
bonds (distance) P-C4' energy: -67.912
flat angles C4'-P-C4' energy: -52.834
flat angles P-C4'-P energy: -28.370
tors. eta vs tors. theta energy: -57.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -774.215132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.215132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.215132 (E_RNA)
where:
Base-Base interactions energy: -520.416
where: short stacking energy: -253.638
Base-Backbone interact. energy: -0.358
local terms energy: -253.441376
where:
bonds (distance) C4'-P energy: -46.559
bonds (distance) P-C4' energy: -37.440
flat angles C4'-P-C4' energy: -65.057
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -66.557
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: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -571.942212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.942212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.942212 (E_RNA)
where:
Base-Base interactions energy: -352.682
where: short stacking energy: -165.363
Base-Backbone interact. energy: 1.929
local terms energy: -221.189588
where:
bonds (distance) C4'-P energy: -51.850
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -44.816
flat angles P-C4'-P energy: -25.614
tors. eta vs tors. theta energy: -38.090
Dist. restrs. and SS energy: 0.000 (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: 99
Temperature: 1.300000
Total energy: -478.236576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.236576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.236576 (E_RNA)
where:
Base-Base interactions energy: -282.401
where: short stacking energy: -131.583
Base-Backbone interact. energy: 0.372
local terms energy: -196.206999
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -48.636
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (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: 99
Temperature: 1.350000
Total energy: -291.806283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.806283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.806283 (E_RNA)
where:
Base-Base interactions energy: -131.779
where: short stacking energy: -96.304
Base-Backbone interact. energy: -0.272
local terms energy: -159.755368
where:
bonds (distance) C4'-P energy: -47.913
bonds (distance) P-C4' energy: -44.970
flat angles C4'-P-C4' energy: -41.717
flat angles P-C4'-P energy: -20.388
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (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: 100
Temperature: 0.900000
Total energy: -1018.340538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.340538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.340538 (E_RNA)
where:
Base-Base interactions energy: -701.482
where: short stacking energy: -307.582
Base-Backbone interact. energy: 1.001
local terms energy: -317.859998
where:
bonds (distance) C4'-P energy: -66.665
bonds (distance) P-C4' energy: -61.542
flat angles C4'-P-C4' energy: -64.774
flat angles P-C4'-P energy: -46.897
tors. eta vs tors. theta energy: -77.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -987.878740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.878740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.878740 (E_RNA)
where:
Base-Base interactions energy: -680.615
where: short stacking energy: -281.751
Base-Backbone interact. energy: 0.491
local terms energy: -307.754062
where:
bonds (distance) C4'-P energy: -62.049
bonds (distance) P-C4' energy: -56.300
flat angles C4'-P-C4' energy: -68.255
flat angles P-C4'-P energy: -45.503
tors. eta vs tors. theta energy: -75.647
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: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -948.738455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.738455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.738455 (E_RNA)
where:
Base-Base interactions energy: -644.907
where: short stacking energy: -286.750
Base-Backbone interact. energy: -1.125
local terms energy: -302.706703
where:
bonds (distance) C4'-P energy: -50.242
bonds (distance) P-C4' energy: -61.950
flat angles C4'-P-C4' energy: -64.031
flat angles P-C4'-P energy: -45.235
tors. eta vs tors. theta energy: -81.248
Dist. restrs. and SS energy: 0.000 (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: 100
Temperature: 1.050000
Total energy: -915.587745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.587745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.587745 (E_RNA)
where:
Base-Base interactions energy: -609.654
where: short stacking energy: -295.481
Base-Backbone interact. energy: -0.848
local terms energy: -305.085609
where:
bonds (distance) C4'-P energy: -50.310
bonds (distance) P-C4' energy: -61.632
flat angles C4'-P-C4' energy: -65.669
flat angles P-C4'-P energy: -46.899
tors. eta vs tors. theta energy: -80.576
Dist. restrs. and SS energy: 0.000 (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: 100
Temperature: 1.100000
Total energy: -907.925967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.925967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.925967 (E_RNA)
where:
Base-Base interactions energy: -632.676
where: short stacking energy: -264.496
Base-Backbone interact. energy: -0.025
local terms energy: -275.224556
where:
bonds (distance) C4'-P energy: -40.322
bonds (distance) P-C4' energy: -57.936
flat angles C4'-P-C4' energy: -65.327
flat angles P-C4'-P energy: -44.424
tors. eta vs tors. theta energy: -67.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -773.427964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.427964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.427964 (E_RNA)
where:
Base-Base interactions energy: -525.202
where: short stacking energy: -229.589
Base-Backbone interact. energy: 1.268
local terms energy: -249.493657
where:
bonds (distance) C4'-P energy: -43.919
bonds (distance) P-C4' energy: -60.785
flat angles C4'-P-C4' energy: -55.406
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -59.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -752.930322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.930322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.930322 (E_RNA)
where:
Base-Base interactions energy: -499.093
where: short stacking energy: -204.495
Base-Backbone interact. energy: -0.679
local terms energy: -253.158372
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -45.386
flat angles C4'-P-C4' energy: -63.569
flat angles P-C4'-P energy: -33.980
tors. eta vs tors. theta energy: -58.747
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: 8, replica: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -586.250058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.250058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.250058 (E_RNA)
where:
Base-Base interactions energy: -364.654
where: short stacking energy: -162.490
Base-Backbone interact. energy: -1.567
local terms energy: -220.028262
where:
bonds (distance) C4'-P energy: -49.801
bonds (distance) P-C4' energy: -44.765
flat angles C4'-P-C4' energy: -49.044
flat angles P-C4'-P energy: -36.449
tors. eta vs tors. theta energy: -39.969
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: 9, replica: 7
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -479.991347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.991347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.991347 (E_RNA)
where:
Base-Base interactions energy: -271.965
where: short stacking energy: -130.748
Base-Backbone interact. energy: 1.831
local terms energy: -209.857093
where:
bonds (distance) C4'-P energy: -54.324
bonds (distance) P-C4' energy: -55.706
flat angles C4'-P-C4' energy: -53.434
flat angles P-C4'-P energy: -30.464
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -265.965227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.965227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.965227 (E_RNA)
where:
Base-Base interactions energy: -120.191
where: short stacking energy: -70.503
Base-Backbone interact. energy: -0.409
local terms energy: -145.365096
where:
bonds (distance) C4'-P energy: -41.804
bonds (distance) P-C4' energy: -53.963
flat angles C4'-P-C4' energy: -29.046
flat angles P-C4'-P energy: -25.736
tors. eta vs tors. theta energy: 5.184
Dist. restrs. and SS energy: 0.000 (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: 101
Temperature: 0.900000
Total energy: -1032.868393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.868393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.868393 (E_RNA)
where:
Base-Base interactions energy: -717.593
where: short stacking energy: -304.525
Base-Backbone interact. energy: -0.442
local terms energy: -314.833430
where:
bonds (distance) C4'-P energy: -55.614
bonds (distance) P-C4' energy: -66.375
flat angles C4'-P-C4' energy: -66.971
flat angles P-C4'-P energy: -42.547
tors. eta vs tors. theta energy: -83.327
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: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1024.774283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.774283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.774283 (E_RNA)
where:
Base-Base interactions energy: -698.872
where: short stacking energy: -306.720
Base-Backbone interact. energy: -1.817
local terms energy: -324.085240
where:
bonds (distance) C4'-P energy: -56.905
bonds (distance) P-C4' energy: -61.349
flat angles C4'-P-C4' energy: -69.104
flat angles P-C4'-P energy: -49.451
tors. eta vs tors. theta energy: -87.277
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: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -949.732425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.732425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.732425 (E_RNA)
where:
Base-Base interactions energy: -632.393
where: short stacking energy: -288.043
Base-Backbone interact. energy: -2.256
local terms energy: -315.083652
where:
bonds (distance) C4'-P energy: -56.679
bonds (distance) P-C4' energy: -57.419
flat angles C4'-P-C4' energy: -68.746
flat angles P-C4'-P energy: -47.139
tors. eta vs tors. theta energy: -85.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -905.135200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.135200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.135200 (E_RNA)
where:
Base-Base interactions energy: -609.598
where: short stacking energy: -301.276
Base-Backbone interact. energy: -1.107
local terms energy: -294.430037
where:
bonds (distance) C4'-P energy: -60.329
bonds (distance) P-C4' energy: -63.555
flat angles C4'-P-C4' energy: -55.619
flat angles P-C4'-P energy: -31.601
tors. eta vs tors. theta energy: -83.326
Dist. restrs. and SS energy: 0.000 (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: 101
Temperature: 1.100000
Total energy: -876.387053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.387053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.387053 (E_RNA)
where:
Base-Base interactions energy: -591.815
where: short stacking energy: -239.558
Base-Backbone interact. energy: -0.588
local terms energy: -283.983370
where:
bonds (distance) C4'-P energy: -54.392
bonds (distance) P-C4' energy: -65.774
flat angles C4'-P-C4' energy: -68.976
flat angles P-C4'-P energy: -43.848
tors. eta vs tors. theta energy: -50.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -836.110881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.110881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.110881 (E_RNA)
where:
Base-Base interactions energy: -575.264
where: short stacking energy: -247.209
Base-Backbone interact. energy: -1.376
local terms energy: -259.470689
where:
bonds (distance) C4'-P energy: -57.048
bonds (distance) P-C4' energy: -23.302
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -39.495
tors. eta vs tors. theta energy: -70.276
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: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -749.552522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.552522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.552522 (E_RNA)
where:
Base-Base interactions energy: -501.961
where: short stacking energy: -225.096
Base-Backbone interact. energy: -0.320
local terms energy: -247.271940
where:
bonds (distance) C4'-P energy: -39.687
bonds (distance) P-C4' energy: -46.709
flat angles C4'-P-C4' energy: -56.048
flat angles P-C4'-P energy: -42.071
tors. eta vs tors. theta energy: -62.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -591.581416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.581416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.581416 (E_RNA)
where:
Base-Base interactions energy: -373.503
where: short stacking energy: -161.801
Base-Backbone interact. energy: 1.382
local terms energy: -219.460364
where:
bonds (distance) C4'-P energy: -55.271
bonds (distance) P-C4' energy: -60.964
flat angles C4'-P-C4' energy: -46.733
flat angles P-C4'-P energy: -26.141
tors. eta vs tors. theta energy: -30.351
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: 9, replica: 7
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -512.532861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.532861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.532861 (E_RNA)
where:
Base-Base interactions energy: -313.870
where: short stacking energy: -149.101
Base-Backbone interact. energy: -1.500
local terms energy: -197.163154
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -53.743
flat angles C4'-P-C4' energy: -42.366
flat angles P-C4'-P energy: -27.213
tors. eta vs tors. theta energy: -28.656
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: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -256.915241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.915241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.915241 (E_RNA)
where:
Base-Base interactions energy: -99.889
where: short stacking energy: -93.292
Base-Backbone interact. energy: -1.164
local terms energy: -155.861899
where:
bonds (distance) C4'-P energy: -44.275
bonds (distance) P-C4' energy: -48.253
flat angles C4'-P-C4' energy: -44.018
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: 5.945
Dist. restrs. and SS energy: 0.000 (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: 102
Temperature: 0.900000
Total energy: -1026.061603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.061603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.061603 (E_RNA)
where:
Base-Base interactions energy: -711.352
where: short stacking energy: -306.888
Base-Backbone interact. energy: -0.771
local terms energy: -313.938534
where:
bonds (distance) C4'-P energy: -57.672
bonds (distance) P-C4' energy: -62.928
flat angles C4'-P-C4' energy: -64.754
flat angles P-C4'-P energy: -52.676
tors. eta vs tors. theta energy: -75.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1003.871511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.871511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.871511 (E_RNA)
where:
Base-Base interactions energy: -682.731
where: short stacking energy: -299.092
Base-Backbone interact. energy: -0.868
local terms energy: -320.272484
where:
bonds (distance) C4'-P energy: -58.840
bonds (distance) P-C4' energy: -63.401
flat angles C4'-P-C4' energy: -68.437
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -86.280
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: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -969.455287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.455287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.455287 (E_RNA)
where:
Base-Base interactions energy: -653.458
where: short stacking energy: -285.258
Base-Backbone interact. energy: -2.195
local terms energy: -313.801867
where:
bonds (distance) C4'-P energy: -56.668
bonds (distance) P-C4' energy: -63.411
flat angles C4'-P-C4' energy: -65.321
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -83.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -903.814047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.814047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.814047 (E_RNA)
where:
Base-Base interactions energy: -611.293
where: short stacking energy: -273.798
Base-Backbone interact. energy: 0.121
local terms energy: -292.641750
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -60.613
flat angles P-C4'-P energy: -45.005
tors. eta vs tors. theta energy: -72.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -853.230732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.230732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.230732 (E_RNA)
where:
Base-Base interactions energy: -613.624
where: short stacking energy: -259.317
Base-Backbone interact. energy: 1.231
local terms energy: -240.837488
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -54.115
flat angles C4'-P-C4' energy: -53.380
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -59.347
Dist. restrs. and SS energy: 0.000 (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: 102
Temperature: 1.150000
Total energy: -872.899200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.899200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.899200 (E_RNA)
where:
Base-Base interactions energy: -593.756
where: short stacking energy: -259.109
Base-Backbone interact. energy: 0.351
local terms energy: -279.494056
where:
bonds (distance) C4'-P energy: -44.252
bonds (distance) P-C4' energy: -57.049
flat angles C4'-P-C4' energy: -62.335
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -75.270
Dist. restrs. and SS energy: 0.000 (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: 102
Temperature: 1.200000
Total energy: -787.084879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.084879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.084879 (E_RNA)
where:
Base-Base interactions energy: -529.929
where: short stacking energy: -223.531
Base-Backbone interact. energy: -2.162
local terms energy: -254.994024
where:
bonds (distance) C4'-P energy: -44.810
bonds (distance) P-C4' energy: -57.520
flat angles C4'-P-C4' energy: -57.554
flat angles P-C4'-P energy: -37.412
tors. eta vs tors. theta energy: -57.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -587.746108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.746108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.746108 (E_RNA)
where:
Base-Base interactions energy: -381.442
where: short stacking energy: -180.904
Base-Backbone interact. energy: -0.394
local terms energy: -205.910199
where:
bonds (distance) C4'-P energy: -49.083
bonds (distance) P-C4' energy: -56.479
flat angles C4'-P-C4' energy: -39.976
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (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: 102
Temperature: 1.300000
Total energy: -495.036056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.036056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.036056 (E_RNA)
where:
Base-Base interactions energy: -287.855
where: short stacking energy: -139.359
Base-Backbone interact. energy: -0.645
local terms energy: -206.536129
where:
bonds (distance) C4'-P energy: -38.741
bonds (distance) P-C4' energy: -53.307
flat angles C4'-P-C4' energy: -50.766
flat angles P-C4'-P energy: -41.240
tors. eta vs tors. theta energy: -22.481
Dist. restrs. and SS energy: 0.000 (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: 102
Temperature: 1.350000
Total energy: -272.301096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.301096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.301096 (E_RNA)
where:
Base-Base interactions energy: -107.727
where: short stacking energy: -86.675
Base-Backbone interact. energy: 6.725
local terms energy: -171.298396
where:
bonds (distance) C4'-P energy: -48.841
bonds (distance) P-C4' energy: -63.034
flat angles C4'-P-C4' energy: -51.044
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: 3.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1015.117057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.117057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.117057 (E_RNA)
where:
Base-Base interactions energy: -718.725
where: short stacking energy: -306.879
Base-Backbone interact. energy: -1.731
local terms energy: -294.661430
where:
bonds (distance) C4'-P energy: -54.363
bonds (distance) P-C4' energy: -60.442
flat angles C4'-P-C4' energy: -65.186
flat angles P-C4'-P energy: -40.705
tors. eta vs tors. theta energy: -73.966
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: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -999.272604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.272604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.272604 (E_RNA)
where:
Base-Base interactions energy: -685.356
where: short stacking energy: -278.552
Base-Backbone interact. energy: -0.711
local terms energy: -313.204705
where:
bonds (distance) C4'-P energy: -60.580
bonds (distance) P-C4' energy: -56.543
flat angles C4'-P-C4' energy: -70.268
flat angles P-C4'-P energy: -44.093
tors. eta vs tors. theta energy: -81.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -985.065575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.065575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.065575 (E_RNA)
where:
Base-Base interactions energy: -682.132
where: short stacking energy: -299.222
Base-Backbone interact. energy: 0.218
local terms energy: -303.151742
where:
bonds (distance) C4'-P energy: -53.454
bonds (distance) P-C4' energy: -57.652
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -43.105
tors. eta vs tors. theta energy: -86.703
Dist. restrs. and SS energy: 0.000 (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: 103
Temperature: 1.050000
Total energy: -923.862003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.862003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.862003 (E_RNA)
where:
Base-Base interactions energy: -618.304
where: short stacking energy: -295.011
Base-Backbone interact. energy: 0.693
local terms energy: -306.251029
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -66.863
flat angles P-C4'-P energy: -46.704
tors. eta vs tors. theta energy: -92.644
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: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -841.606380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.606380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.606380 (E_RNA)
where:
Base-Base interactions energy: -571.688
where: short stacking energy: -249.043
Base-Backbone interact. energy: -3.663
local terms energy: -266.256008
where:
bonds (distance) C4'-P energy: -52.319
bonds (distance) P-C4' energy: -55.251
flat angles C4'-P-C4' energy: -57.252
flat angles P-C4'-P energy: -38.406
tors. eta vs tors. theta energy: -63.029
Dist. restrs. and SS energy: 0.000 (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: 103
Temperature: 1.150000
Total energy: -809.888383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.888383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.888383 (E_RNA)
where:
Base-Base interactions energy: -521.204
where: short stacking energy: -244.409
Base-Backbone interact. energy: -2.269
local terms energy: -286.415585
where:
bonds (distance) C4'-P energy: -62.938
bonds (distance) P-C4' energy: -55.066
flat angles C4'-P-C4' energy: -51.867
flat angles P-C4'-P energy: -46.458
tors. eta vs tors. theta energy: -70.086
Dist. restrs. and SS energy: 0.000 (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: 103
Temperature: 1.200000
Total energy: -761.937870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.937870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.937870 (E_RNA)
where:
Base-Base interactions energy: -506.431
where: short stacking energy: -229.481
Base-Backbone interact. energy: 3.147
local terms energy: -258.654372
where:
bonds (distance) C4'-P energy: -48.488
bonds (distance) P-C4' energy: -50.143
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -42.319
tors. eta vs tors. theta energy: -57.017
Dist. restrs. and SS energy: 0.000 (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: 103
Temperature: 1.250000
Total energy: -592.193700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.193700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.193700 (E_RNA)
where:
Base-Base interactions energy: -375.199
where: short stacking energy: -171.235
Base-Backbone interact. energy: -2.427
local terms energy: -214.568556
where:
bonds (distance) C4'-P energy: -49.563
bonds (distance) P-C4' energy: -40.664
flat angles C4'-P-C4' energy: -52.152
flat angles P-C4'-P energy: -41.678
tors. eta vs tors. theta energy: -30.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -496.981441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.981441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.981441 (E_RNA)
where:
Base-Base interactions energy: -293.415
where: short stacking energy: -141.973
Base-Backbone interact. energy: 0.469
local terms energy: -204.034855
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -48.708
flat angles C4'-P-C4' energy: -55.733
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -24.545
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: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -251.664230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.664230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.664230 (E_RNA)
where:
Base-Base interactions energy: -87.938
where: short stacking energy: -67.771
Base-Backbone interact. energy: -0.537
local terms energy: -163.189577
where:
bonds (distance) C4'-P energy: -56.598
bonds (distance) P-C4' energy: -48.066
flat angles C4'-P-C4' energy: -40.847
flat angles P-C4'-P energy: -22.414
tors. eta vs tors. theta energy: 4.734
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: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -999.474216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.474216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.474216 (E_RNA)
where:
Base-Base interactions energy: -684.774
where: short stacking energy: -298.281
Base-Backbone interact. energy: -1.155
local terms energy: -313.544917
where:
bonds (distance) C4'-P energy: -57.723
bonds (distance) P-C4' energy: -60.703
flat angles C4'-P-C4' energy: -68.896
flat angles P-C4'-P energy: -44.294
tors. eta vs tors. theta energy: -81.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1010.426496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.426496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.426496 (E_RNA)
where:
Base-Base interactions energy: -685.694
where: short stacking energy: -299.534
Base-Backbone interact. energy: -1.003
local terms energy: -323.729543
where:
bonds (distance) C4'-P energy: -67.367
bonds (distance) P-C4' energy: -57.505
flat angles C4'-P-C4' energy: -67.382
flat angles P-C4'-P energy: -48.000
tors. eta vs tors. theta energy: -83.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -957.783936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.783936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.783936 (E_RNA)
where:
Base-Base interactions energy: -639.726
where: short stacking energy: -292.351
Base-Backbone interact. energy: -0.979
local terms energy: -317.078536
where:
bonds (distance) C4'-P energy: -59.290
bonds (distance) P-C4' energy: -62.828
flat angles C4'-P-C4' energy: -67.801
flat angles P-C4'-P energy: -39.867
tors. eta vs tors. theta energy: -87.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -946.214281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.214281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.214281 (E_RNA)
where:
Base-Base interactions energy: -651.660
where: short stacking energy: -274.256
Base-Backbone interact. energy: -1.513
local terms energy: -293.041991
where:
bonds (distance) C4'-P energy: -48.571
bonds (distance) P-C4' energy: -63.631
flat angles C4'-P-C4' energy: -66.319
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -73.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -839.638023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.638023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.638023 (E_RNA)
where:
Base-Base interactions energy: -579.441
where: short stacking energy: -246.467
Base-Backbone interact. energy: -0.517
local terms energy: -259.679166
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -38.764
flat angles C4'-P-C4' energy: -59.654
flat angles P-C4'-P energy: -49.444
tors. eta vs tors. theta energy: -58.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -879.839324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.839324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.839324 (E_RNA)
where:
Base-Base interactions energy: -584.386
where: short stacking energy: -287.856
Base-Backbone interact. energy: -0.234
local terms energy: -295.218988
where:
bonds (distance) C4'-P energy: -52.114
bonds (distance) P-C4' energy: -56.609
flat angles C4'-P-C4' energy: -62.740
flat angles P-C4'-P energy: -42.334
tors. eta vs tors. theta energy: -81.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -767.143666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.143666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.143666 (E_RNA)
where:
Base-Base interactions energy: -523.825
where: short stacking energy: -215.003
Base-Backbone interact. energy: -0.735
local terms energy: -242.584333
where:
bonds (distance) C4'-P energy: -52.262
bonds (distance) P-C4' energy: -51.144
flat angles C4'-P-C4' energy: -56.423
flat angles P-C4'-P energy: -35.262
tors. eta vs tors. theta energy: -47.493
Dist. restrs. and SS energy: 0.000 (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: 104
Temperature: 1.250000
Total energy: -649.427900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.427900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.427900 (E_RNA)
where:
Base-Base interactions energy: -410.279
where: short stacking energy: -192.625
Base-Backbone interact. energy: -2.012
local terms energy: -237.136116
where:
bonds (distance) C4'-P energy: -46.712
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -60.375
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -43.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -512.506795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.506795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.506795 (E_RNA)
where:
Base-Base interactions energy: -300.994
where: short stacking energy: -157.197
Base-Backbone interact. energy: -1.398
local terms energy: -210.114489
where:
bonds (distance) C4'-P energy: -52.904
bonds (distance) P-C4' energy: -50.304
flat angles C4'-P-C4' energy: -56.781
flat angles P-C4'-P energy: -27.496
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (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: 104
Temperature: 1.350000
Total energy: -257.842811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.842811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.842811 (E_RNA)
where:
Base-Base interactions energy: -92.851
where: short stacking energy: -83.129
Base-Backbone interact. energy: -0.701
local terms energy: -164.291101
where:
bonds (distance) C4'-P energy: -46.740
bonds (distance) P-C4' energy: -49.777
flat angles C4'-P-C4' energy: -41.734
flat angles P-C4'-P energy: -26.764
tors. eta vs tors. theta energy: 0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1045.781570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.781570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.781570 (E_RNA)
where:
Base-Base interactions energy: -722.839
where: short stacking energy: -307.130
Base-Backbone interact. energy: -1.911
local terms energy: -321.031488
where:
bonds (distance) C4'-P energy: -61.050
bonds (distance) P-C4' energy: -63.574
flat angles C4'-P-C4' energy: -73.885
flat angles P-C4'-P energy: -44.386
tors. eta vs tors. theta energy: -78.136
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: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1002.701550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.701550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.701550 (E_RNA)
where:
Base-Base interactions energy: -701.309
where: short stacking energy: -317.459
Base-Backbone interact. energy: -1.174
local terms energy: -300.218589
where:
bonds (distance) C4'-P energy: -59.488
bonds (distance) P-C4' energy: -56.954
flat angles C4'-P-C4' energy: -62.656
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -82.180
Dist. restrs. and SS energy: 0.000 (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: 105
Temperature: 1.000000
Total energy: -960.859810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.859810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.859810 (E_RNA)
where:
Base-Base interactions energy: -637.947
where: short stacking energy: -295.658
Base-Backbone interact. energy: -1.451
local terms energy: -321.461557
where:
bonds (distance) C4'-P energy: -52.640
bonds (distance) P-C4' energy: -67.467
flat angles C4'-P-C4' energy: -71.870
flat angles P-C4'-P energy: -48.339
tors. eta vs tors. theta energy: -81.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -973.354985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.354985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.354985 (E_RNA)
where:
Base-Base interactions energy: -657.000
where: short stacking energy: -300.258
Base-Backbone interact. energy: -0.353
local terms energy: -316.002281
where:
bonds (distance) C4'-P energy: -61.173
bonds (distance) P-C4' energy: -67.099
flat angles C4'-P-C4' energy: -63.507
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: -84.425
Dist. restrs. and SS energy: 0.000 (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: 105
Temperature: 1.100000
Total energy: -857.496386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.496386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.496386 (E_RNA)
where:
Base-Base interactions energy: -567.772
where: short stacking energy: -259.148
Base-Backbone interact. energy: -0.158
local terms energy: -289.566805
where:
bonds (distance) C4'-P energy: -57.387
bonds (distance) P-C4' energy: -65.939
flat angles C4'-P-C4' energy: -65.876
flat angles P-C4'-P energy: -34.785
tors. eta vs tors. theta energy: -65.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -847.780297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.780297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.780297 (E_RNA)
where:
Base-Base interactions energy: -580.577
where: short stacking energy: -287.846
Base-Backbone interact. energy: -0.904
local terms energy: -266.299140
where:
bonds (distance) C4'-P energy: -40.706
bonds (distance) P-C4' energy: -47.355
flat angles C4'-P-C4' energy: -60.488
flat angles P-C4'-P energy: -34.700
tors. eta vs tors. theta energy: -83.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -771.955133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.955133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.955133 (E_RNA)
where:
Base-Base interactions energy: -526.609
where: short stacking energy: -233.473
Base-Backbone interact. energy: 1.150
local terms energy: -246.496441
where:
bonds (distance) C4'-P energy: -55.184
bonds (distance) P-C4' energy: -40.238
flat angles C4'-P-C4' energy: -57.477
flat angles P-C4'-P energy: -35.679
tors. eta vs tors. theta energy: -57.919
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: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -650.148437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.148437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.148437 (E_RNA)
where:
Base-Base interactions energy: -412.212
where: short stacking energy: -189.671
Base-Backbone interact. energy: 0.433
local terms energy: -238.369627
where:
bonds (distance) C4'-P energy: -58.478
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -55.782
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -37.722
Dist. restrs. and SS energy: 0.000 (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: 105
Temperature: 1.300000
Total energy: -449.193297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.193297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.193297 (E_RNA)
where:
Base-Base interactions energy: -258.539
where: short stacking energy: -142.467
Base-Backbone interact. energy: -0.305
local terms energy: -190.349208
where:
bonds (distance) C4'-P energy: -42.032
bonds (distance) P-C4' energy: -53.744
flat angles C4'-P-C4' energy: -45.460
flat angles P-C4'-P energy: -24.600
tors. eta vs tors. theta energy: -24.514
Dist. restrs. and SS energy: 0.000 (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: 105
Temperature: 1.350000
Total energy: -257.779571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.779571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.779571 (E_RNA)
where:
Base-Base interactions energy: -107.038
where: short stacking energy: -69.115
Base-Backbone interact. energy: 0.953
local terms energy: -151.694253
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -54.770
flat angles C4'-P-C4' energy: -44.240
flat angles P-C4'-P energy: -16.190
tors. eta vs tors. theta energy: 4.135
Dist. restrs. and SS energy: 0.000 (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: 106
Temperature: 0.900000
Total energy: -1027.425727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.425727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.425727 (E_RNA)
where:
Base-Base interactions energy: -713.661
where: short stacking energy: -305.733
Base-Backbone interact. energy: 1.998
local terms energy: -315.762594
where:
bonds (distance) C4'-P energy: -57.709
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -69.185
flat angles P-C4'-P energy: -43.821
tors. eta vs tors. theta energy: -86.410
Dist. restrs. and SS energy: 0.000 (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: 106
Temperature: 0.950000
Total energy: -972.826577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.826577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.826577 (E_RNA)
where:
Base-Base interactions energy: -670.970
where: short stacking energy: -296.718
Base-Backbone interact. energy: -0.010
local terms energy: -301.847052
where:
bonds (distance) C4'-P energy: -59.627
bonds (distance) P-C4' energy: -57.793
flat angles C4'-P-C4' energy: -65.441
flat angles P-C4'-P energy: -45.053
tors. eta vs tors. theta energy: -73.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -973.412827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.412827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.412827 (E_RNA)
where:
Base-Base interactions energy: -665.990
where: short stacking energy: -287.980
Base-Backbone interact. energy: -0.806
local terms energy: -306.616728
where:
bonds (distance) C4'-P energy: -57.731
bonds (distance) P-C4' energy: -57.852
flat angles C4'-P-C4' energy: -67.809
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -86.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -944.851077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.851077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.851077 (E_RNA)
where:
Base-Base interactions energy: -625.401
where: short stacking energy: -305.129
Base-Backbone interact. energy: -0.205
local terms energy: -319.245327
where:
bonds (distance) C4'-P energy: -58.444
bonds (distance) P-C4' energy: -61.950
flat angles C4'-P-C4' energy: -61.757
flat angles P-C4'-P energy: -43.866
tors. eta vs tors. theta energy: -93.229
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: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -836.046391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.046391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.046391 (E_RNA)
where:
Base-Base interactions energy: -554.544
where: short stacking energy: -259.830
Base-Backbone interact. energy: -0.962
local terms energy: -280.540002
where:
bonds (distance) C4'-P energy: -55.697
bonds (distance) P-C4' energy: -55.477
flat angles C4'-P-C4' energy: -69.333
flat angles P-C4'-P energy: -35.317
tors. eta vs tors. theta energy: -64.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -822.815587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.815587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.815587 (E_RNA)
where:
Base-Base interactions energy: -559.774
where: short stacking energy: -254.070
Base-Backbone interact. energy: -2.430
local terms energy: -260.612486
where:
bonds (distance) C4'-P energy: -43.952
bonds (distance) P-C4' energy: -47.953
flat angles C4'-P-C4' energy: -62.136
flat angles P-C4'-P energy: -32.676
tors. eta vs tors. theta energy: -73.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -769.933349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.933349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.933349 (E_RNA)
where:
Base-Base interactions energy: -533.485
where: short stacking energy: -232.270
Base-Backbone interact. energy: -0.859
local terms energy: -235.589149
where:
bonds (distance) C4'-P energy: -44.992
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -27.267
tors. eta vs tors. theta energy: -56.510
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: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -631.826289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.826289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.826289 (E_RNA)
where:
Base-Base interactions energy: -397.170
where: short stacking energy: -200.142
Base-Backbone interact. energy: -0.843
local terms energy: -233.812895
where:
bonds (distance) C4'-P energy: -48.460
bonds (distance) P-C4' energy: -51.721
flat angles C4'-P-C4' energy: -55.203
flat angles P-C4'-P energy: -36.906
tors. eta vs tors. theta energy: -41.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -497.822431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.822431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.822431 (E_RNA)
where:
Base-Base interactions energy: -276.087
where: short stacking energy: -147.952
Base-Backbone interact. energy: -1.903
local terms energy: -219.832289
where:
bonds (distance) C4'-P energy: -51.451
bonds (distance) P-C4' energy: -56.539
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -32.697
Dist. restrs. and SS energy: 0.000 (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: 106
Temperature: 1.350000
Total energy: -251.475486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.475486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.475486 (E_RNA)
where:
Base-Base interactions energy: -92.201
where: short stacking energy: -66.021
Base-Backbone interact. energy: 1.032
local terms energy: -160.306463
where:
bonds (distance) C4'-P energy: -37.355
bonds (distance) P-C4' energy: -58.680
flat angles C4'-P-C4' energy: -58.870
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: 14.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1030.320944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.320944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.320944 (E_RNA)
where:
Base-Base interactions energy: -715.576
where: short stacking energy: -303.771
Base-Backbone interact. energy: -0.368
local terms energy: -314.377366
where:
bonds (distance) C4'-P energy: -61.821
bonds (distance) P-C4' energy: -59.864
flat angles C4'-P-C4' energy: -66.613
flat angles P-C4'-P energy: -42.519
tors. eta vs tors. theta energy: -83.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -993.355834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.355834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.355834 (E_RNA)
where:
Base-Base interactions energy: -676.853
where: short stacking energy: -302.774
Base-Backbone interact. energy: -1.140
local terms energy: -315.363091
where:
bonds (distance) C4'-P energy: -56.243
bonds (distance) P-C4' energy: -67.816
flat angles C4'-P-C4' energy: -67.056
flat angles P-C4'-P energy: -40.212
tors. eta vs tors. theta energy: -84.036
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: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -938.984773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.984773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.984773 (E_RNA)
where:
Base-Base interactions energy: -649.774
where: short stacking energy: -279.229
Base-Backbone interact. energy: 0.557
local terms energy: -289.767787
where:
bonds (distance) C4'-P energy: -63.352
bonds (distance) P-C4' energy: -46.778
flat angles C4'-P-C4' energy: -66.075
flat angles P-C4'-P energy: -43.759
tors. eta vs tors. theta energy: -69.804
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: 107
Temperature: 1.050000
Total energy: -908.562719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.562719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.562719 (E_RNA)
where:
Base-Base interactions energy: -601.594
where: short stacking energy: -283.023
Base-Backbone interact. energy: 0.162
local terms energy: -307.131354
where:
bonds (distance) C4'-P energy: -65.023
bonds (distance) P-C4' energy: -56.650
flat angles C4'-P-C4' energy: -67.362
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -81.980
Dist. restrs. and SS energy: 0.000 (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: 107
Temperature: 1.100000
Total energy: -814.168903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.168903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.168903 (E_RNA)
where:
Base-Base interactions energy: -538.457
where: short stacking energy: -261.640
Base-Backbone interact. energy: -0.071
local terms energy: -275.640164
where:
bonds (distance) C4'-P energy: -53.390
bonds (distance) P-C4' energy: -57.329
flat angles C4'-P-C4' energy: -61.129
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: -76.722
Dist. restrs. and SS energy: 0.000 (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: 107
Temperature: 1.150000
Total energy: -812.167194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.167194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.167194 (E_RNA)
where:
Base-Base interactions energy: -561.019
where: short stacking energy: -227.484
Base-Backbone interact. energy: -2.126
local terms energy: -249.022064
where:
bonds (distance) C4'-P energy: -55.221
bonds (distance) P-C4' energy: -47.027
flat angles C4'-P-C4' energy: -50.633
flat angles P-C4'-P energy: -48.906
tors. eta vs tors. theta energy: -47.235
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: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -763.342111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.342111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.342111 (E_RNA)
where:
Base-Base interactions energy: -517.650
where: short stacking energy: -234.205
Base-Backbone interact. energy: 0.079
local terms energy: -245.771477
where:
bonds (distance) C4'-P energy: -32.926
bonds (distance) P-C4' energy: -58.047
flat angles C4'-P-C4' energy: -54.375
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -60.112
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: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -658.509939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.509939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.509939 (E_RNA)
where:
Base-Base interactions energy: -412.152
where: short stacking energy: -186.568
Base-Backbone interact. energy: -3.766
local terms energy: -242.591740
where:
bonds (distance) C4'-P energy: -53.772
bonds (distance) P-C4' energy: -57.930
flat angles C4'-P-C4' energy: -57.612
flat angles P-C4'-P energy: -33.797
tors. eta vs tors. theta energy: -39.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -477.291860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.291860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.291860 (E_RNA)
where:
Base-Base interactions energy: -270.789
where: short stacking energy: -120.055
Base-Backbone interact. energy: -1.772
local terms energy: -204.730363
where:
bonds (distance) C4'-P energy: -55.751
bonds (distance) P-C4' energy: -64.796
flat angles C4'-P-C4' energy: -45.793
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -283.220549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.220549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.220549 (E_RNA)
where:
Base-Base interactions energy: -104.064
where: short stacking energy: -92.651
Base-Backbone interact. energy: -0.224
local terms energy: -178.932810
where:
bonds (distance) C4'-P energy: -37.947
bonds (distance) P-C4' energy: -61.761
flat angles C4'-P-C4' energy: -46.626
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (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: -1033.421664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.421664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.421664 (E_RNA)
where:
Base-Base interactions energy: -712.072
where: short stacking energy: -289.187
Base-Backbone interact. energy: -0.779
local terms energy: -320.570307
where:
bonds (distance) C4'-P energy: -61.706
bonds (distance) P-C4' energy: -63.173
flat angles C4'-P-C4' energy: -74.181
flat angles P-C4'-P energy: -41.241
tors. eta vs tors. theta energy: -80.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1002.444051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.444051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.444051 (E_RNA)
where:
Base-Base interactions energy: -670.383
where: short stacking energy: -297.770
Base-Backbone interact. energy: -0.493
local terms energy: -331.567835
where:
bonds (distance) C4'-P energy: -67.340
bonds (distance) P-C4' energy: -56.309
flat angles C4'-P-C4' energy: -65.072
flat angles P-C4'-P energy: -47.935
tors. eta vs tors. theta energy: -94.912
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: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -973.357189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.357189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.357189 (E_RNA)
where:
Base-Base interactions energy: -664.200
where: short stacking energy: -280.341
Base-Backbone interact. energy: -0.462
local terms energy: -308.694749
where:
bonds (distance) C4'-P energy: -57.801
bonds (distance) P-C4' energy: -62.414
flat angles C4'-P-C4' energy: -61.266
flat angles P-C4'-P energy: -46.252
tors. eta vs tors. theta energy: -80.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -902.542685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.542685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.542685 (E_RNA)
where:
Base-Base interactions energy: -609.906
where: short stacking energy: -284.125
Base-Backbone interact. energy: 0.320
local terms energy: -292.956516
where:
bonds (distance) C4'-P energy: -48.554
bonds (distance) P-C4' energy: -62.943
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: -84.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -810.262996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.262996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.262996 (E_RNA)
where:
Base-Base interactions energy: -522.630
where: short stacking energy: -248.089
Base-Backbone interact. energy: -2.456
local terms energy: -285.176758
where:
bonds (distance) C4'-P energy: -57.775
bonds (distance) P-C4' energy: -62.491
flat angles C4'-P-C4' energy: -61.358
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -62.575
Dist. restrs. and SS energy: 0.000 (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: 108
Temperature: 1.150000
Total energy: -786.635919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.635919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.635919 (E_RNA)
where:
Base-Base interactions energy: -523.913
where: short stacking energy: -230.715
Base-Backbone interact. energy: 5.976
local terms energy: -268.698146
where:
bonds (distance) C4'-P energy: -51.843
bonds (distance) P-C4' energy: -60.976
flat angles C4'-P-C4' energy: -61.797
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: -61.744
Dist. restrs. and SS energy: 0.000 (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: 108
Temperature: 1.200000
Total energy: -743.988531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.988531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.988531 (E_RNA)
where:
Base-Base interactions energy: -496.983
where: short stacking energy: -230.838
Base-Backbone interact. energy: -1.046
local terms energy: -245.959580
where:
bonds (distance) C4'-P energy: -45.538
bonds (distance) P-C4' energy: -49.700
flat angles C4'-P-C4' energy: -55.365
flat angles P-C4'-P energy: -36.865
tors. eta vs tors. theta energy: -58.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -632.816064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.816064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.816064 (E_RNA)
where:
Base-Base interactions energy: -409.208
where: short stacking energy: -200.295
Base-Backbone interact. energy: 2.009
local terms energy: -225.617921
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -43.940
flat angles C4'-P-C4' energy: -52.055
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -43.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -494.144729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.144729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.144729 (E_RNA)
where:
Base-Base interactions energy: -292.553
where: short stacking energy: -147.544
Base-Backbone interact. energy: 0.993
local terms energy: -202.585468
where:
bonds (distance) C4'-P energy: -50.950
bonds (distance) P-C4' energy: -53.459
flat angles C4'-P-C4' energy: -47.025
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (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: 108
Temperature: 1.350000
Total energy: -293.504195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.504195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.504195 (E_RNA)
where:
Base-Base interactions energy: -133.589
where: short stacking energy: -76.800
Base-Backbone interact. energy: -0.612
local terms energy: -159.303305
where:
bonds (distance) C4'-P energy: -46.756
bonds (distance) P-C4' energy: -54.013
flat angles C4'-P-C4' energy: -35.553
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: 2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1028.764256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.764256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.764256 (E_RNA)
where:
Base-Base interactions energy: -704.048
where: short stacking energy: -307.843
Base-Backbone interact. energy: -0.858
local terms energy: -323.858796
where:
bonds (distance) C4'-P energy: -58.865
bonds (distance) P-C4' energy: -61.040
flat angles C4'-P-C4' energy: -63.326
flat angles P-C4'-P energy: -53.690
tors. eta vs tors. theta energy: -86.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1016.950325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.950325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.950325 (E_RNA)
where:
Base-Base interactions energy: -696.293
where: short stacking energy: -298.696
Base-Backbone interact. energy: 0.060
local terms energy: -320.717705
where:
bonds (distance) C4'-P energy: -60.619
bonds (distance) P-C4' energy: -65.082
flat angles C4'-P-C4' energy: -68.036
flat angles P-C4'-P energy: -44.021
tors. eta vs tors. theta energy: -82.960
Dist. restrs. and SS energy: 0.000 (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: 109
Temperature: 1.000000
Total energy: -970.296853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.296853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.296853 (E_RNA)
where:
Base-Base interactions energy: -669.908
where: short stacking energy: -278.334
Base-Backbone interact. energy: -0.858
local terms energy: -299.530405
where:
bonds (distance) C4'-P energy: -59.437
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -61.913
flat angles P-C4'-P energy: -45.614
tors. eta vs tors. theta energy: -76.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -934.456852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.456852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.456852 (E_RNA)
where:
Base-Base interactions energy: -631.684
where: short stacking energy: -307.948
Base-Backbone interact. energy: -0.649
local terms energy: -302.123459
where:
bonds (distance) C4'-P energy: -46.989
bonds (distance) P-C4' energy: -63.227
flat angles C4'-P-C4' energy: -66.795
flat angles P-C4'-P energy: -32.953
tors. eta vs tors. theta energy: -92.160
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: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -825.176514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.176514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.176514 (E_RNA)
where:
Base-Base interactions energy: -553.753
where: short stacking energy: -251.691
Base-Backbone interact. energy: -2.956
local terms energy: -268.467287
where:
bonds (distance) C4'-P energy: -62.021
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -56.748
flat angles P-C4'-P energy: -37.337
tors. eta vs tors. theta energy: -60.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -788.957239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.957239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.957239 (E_RNA)
where:
Base-Base interactions energy: -512.942
where: short stacking energy: -225.336
Base-Backbone interact. energy: 2.384
local terms energy: -278.399064
where:
bonds (distance) C4'-P energy: -59.976
bonds (distance) P-C4' energy: -64.924
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -56.103
Dist. restrs. and SS energy: 0.000 (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: 109
Temperature: 1.200000
Total energy: -749.179374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.179374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.179374 (E_RNA)
where:
Base-Base interactions energy: -491.765
where: short stacking energy: -212.000
Base-Backbone interact. energy: -0.438
local terms energy: -256.975985
where:
bonds (distance) C4'-P energy: -48.854
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -55.015
flat angles P-C4'-P energy: -45.475
tors. eta vs tors. theta energy: -52.556
Dist. restrs. and SS energy: 0.000 (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: 109
Temperature: 1.250000
Total energy: -617.845922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.845922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.845922 (E_RNA)
where:
Base-Base interactions energy: -398.811
where: short stacking energy: -183.560
Base-Backbone interact. energy: -2.661
local terms energy: -216.373942
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -57.512
flat angles C4'-P-C4' energy: -50.686
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (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: 109
Temperature: 1.300000
Total energy: -482.953672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.953672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.953672 (E_RNA)
where:
Base-Base interactions energy: -304.841
where: short stacking energy: -154.932
Base-Backbone interact. energy: -2.779
local terms energy: -175.334349
where:
bonds (distance) C4'-P energy: -38.635
bonds (distance) P-C4' energy: -49.870
flat angles C4'-P-C4' energy: -41.730
flat angles P-C4'-P energy: -27.245
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -281.618437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.618437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.618437 (E_RNA)
where:
Base-Base interactions energy: -97.389
where: short stacking energy: -90.234
Base-Backbone interact. energy: -1.227
local terms energy: -183.002439
where:
bonds (distance) C4'-P energy: -60.533
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -45.130
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: 2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1030.245374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.245374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.245374 (E_RNA)
where:
Base-Base interactions energy: -700.061
where: short stacking energy: -314.341
Base-Backbone interact. energy: -0.327
local terms energy: -329.857672
where:
bonds (distance) C4'-P energy: -61.652
bonds (distance) P-C4' energy: -64.661
flat angles C4'-P-C4' energy: -71.017
flat angles P-C4'-P energy: -40.299
tors. eta vs tors. theta energy: -92.228
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: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -989.040083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.040083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.040083 (E_RNA)
where:
Base-Base interactions energy: -679.070
where: short stacking energy: -294.321
Base-Backbone interact. energy: 0.066
local terms energy: -310.036044
where:
bonds (distance) C4'-P energy: -61.528
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -70.309
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -76.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -966.279000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.279000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.279000 (E_RNA)
where:
Base-Base interactions energy: -675.283
where: short stacking energy: -293.995
Base-Backbone interact. energy: -0.442
local terms energy: -290.554305
where:
bonds (distance) C4'-P energy: -53.253
bonds (distance) P-C4' energy: -47.315
flat angles C4'-P-C4' energy: -68.198
flat angles P-C4'-P energy: -42.810
tors. eta vs tors. theta energy: -78.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -909.880480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.880480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.880480 (E_RNA)
where:
Base-Base interactions energy: -613.056
where: short stacking energy: -274.321
Base-Backbone interact. energy: -1.149
local terms energy: -295.675094
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -53.078
flat angles C4'-P-C4' energy: -70.152
flat angles P-C4'-P energy: -47.127
tors. eta vs tors. theta energy: -79.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -843.968177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.968177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.968177 (E_RNA)
where:
Base-Base interactions energy: -572.293
where: short stacking energy: -258.863
Base-Backbone interact. energy: -2.478
local terms energy: -269.197042
where:
bonds (distance) C4'-P energy: -62.435
bonds (distance) P-C4' energy: -57.810
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: -63.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -790.936727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.936727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.936727 (E_RNA)
where:
Base-Base interactions energy: -543.432
where: short stacking energy: -244.381
Base-Backbone interact. energy: -0.495
local terms energy: -247.010189
where:
bonds (distance) C4'-P energy: -44.716
bonds (distance) P-C4' energy: -61.403
flat angles C4'-P-C4' energy: -48.508
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -65.356
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: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -713.079429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.079429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.079429 (E_RNA)
where:
Base-Base interactions energy: -492.771
where: short stacking energy: -212.751
Base-Backbone interact. energy: -3.419
local terms energy: -216.889746
where:
bonds (distance) C4'-P energy: -42.588
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -60.096
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: -46.702
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: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -633.464346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.464346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.464346 (E_RNA)
where:
Base-Base interactions energy: -420.087
where: short stacking energy: -207.540
Base-Backbone interact. energy: -1.275
local terms energy: -212.102606
where:
bonds (distance) C4'-P energy: -32.695
bonds (distance) P-C4' energy: -50.443
flat angles C4'-P-C4' energy: -42.505
flat angles P-C4'-P energy: -38.243
tors. eta vs tors. theta energy: -48.216
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: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -491.420414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.420414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.420414 (E_RNA)
where:
Base-Base interactions energy: -289.613
where: short stacking energy: -146.484
Base-Backbone interact. energy: 0.137
local terms energy: -201.944616
where:
bonds (distance) C4'-P energy: -53.086
bonds (distance) P-C4' energy: -44.352
flat angles C4'-P-C4' energy: -53.845
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: -13.947
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: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -263.634614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.634614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.634614 (E_RNA)
where:
Base-Base interactions energy: -92.132
where: short stacking energy: -73.396
Base-Backbone interact. energy: 1.447
local terms energy: -172.949840
where:
bonds (distance) C4'-P energy: -49.982
bonds (distance) P-C4' energy: -49.815
flat angles C4'-P-C4' energy: -42.712
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: 8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1025.979802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.979802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.979802 (E_RNA)
where:
Base-Base interactions energy: -701.818
where: short stacking energy: -315.041
Base-Backbone interact. energy: -0.859
local terms energy: -323.302396
where:
bonds (distance) C4'-P energy: -63.119
bonds (distance) P-C4' energy: -58.475
flat angles C4'-P-C4' energy: -67.217
flat angles P-C4'-P energy: -51.661
tors. eta vs tors. theta energy: -82.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1014.694600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.694600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.694600 (E_RNA)
where:
Base-Base interactions energy: -700.461
where: short stacking energy: -302.542
Base-Backbone interact. energy: -1.069
local terms energy: -313.164749
where:
bonds (distance) C4'-P energy: -59.550
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -62.750
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -88.235
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: 3, replica: 5
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -973.700119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.700119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.700119 (E_RNA)
where:
Base-Base interactions energy: -666.716
where: short stacking energy: -292.597
Base-Backbone interact. energy: 1.633
local terms energy: -308.617662
where:
bonds (distance) C4'-P energy: -49.605
bonds (distance) P-C4' energy: -63.102
flat angles C4'-P-C4' energy: -66.523
flat angles P-C4'-P energy: -47.098
tors. eta vs tors. theta energy: -82.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -911.205430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.205430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.205430 (E_RNA)
where:
Base-Base interactions energy: -611.946
where: short stacking energy: -288.529
Base-Backbone interact. energy: 0.132
local terms energy: -299.391549
where:
bonds (distance) C4'-P energy: -48.552
bonds (distance) P-C4' energy: -51.745
flat angles C4'-P-C4' energy: -69.430
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -79.946
Dist. restrs. and SS energy: 0.000 (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: 111
Temperature: 1.100000
Total energy: -862.665917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.665917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.665917 (E_RNA)
where:
Base-Base interactions energy: -585.034
where: short stacking energy: -261.267
Base-Backbone interact. energy: -1.216
local terms energy: -276.415441
where:
bonds (distance) C4'-P energy: -51.003
bonds (distance) P-C4' energy: -55.010
flat angles C4'-P-C4' energy: -63.261
flat angles P-C4'-P energy: -38.174
tors. eta vs tors. theta energy: -68.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -809.201560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.201560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.201560 (E_RNA)
where:
Base-Base interactions energy: -526.660
where: short stacking energy: -242.236
Base-Backbone interact. energy: -1.594
local terms energy: -280.947542
where:
bonds (distance) C4'-P energy: -58.371
bonds (distance) P-C4' energy: -55.969
flat angles C4'-P-C4' energy: -62.266
flat angles P-C4'-P energy: -41.919
tors. eta vs tors. theta energy: -62.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -703.823862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.823862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.823862 (E_RNA)
where:
Base-Base interactions energy: -446.682
where: short stacking energy: -195.749
Base-Backbone interact. energy: 3.448
local terms energy: -260.589206
where:
bonds (distance) C4'-P energy: -57.587
bonds (distance) P-C4' energy: -59.406
flat angles C4'-P-C4' energy: -57.578
flat angles P-C4'-P energy: -40.087
tors. eta vs tors. theta energy: -45.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -635.068531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.068531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.068531 (E_RNA)
where:
Base-Base interactions energy: -423.829
where: short stacking energy: -206.663
Base-Backbone interact. energy: 6.630
local terms energy: -217.870243
where:
bonds (distance) C4'-P energy: -45.167
bonds (distance) P-C4' energy: -53.352
flat angles C4'-P-C4' energy: -42.891
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -43.633
Dist. restrs. and SS energy: 0.000 (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: 111
Temperature: 1.300000
Total energy: -500.743714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.743714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.743714 (E_RNA)
where:
Base-Base interactions energy: -292.363
where: short stacking energy: -134.767
Base-Backbone interact. energy: 0.003
local terms energy: -208.383525
where:
bonds (distance) C4'-P energy: -51.084
bonds (distance) P-C4' energy: -57.769
flat angles C4'-P-C4' energy: -49.448
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -254.471003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.471003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.471003 (E_RNA)
where:
Base-Base interactions energy: -87.202
where: short stacking energy: -80.480
Base-Backbone interact. energy: -1.528
local terms energy: -165.741510
where:
bonds (distance) C4'-P energy: -41.208
bonds (distance) P-C4' energy: -54.275
flat angles C4'-P-C4' energy: -28.436
flat angles P-C4'-P energy: -35.400
tors. eta vs tors. theta energy: -6.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1033.060359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.060359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.060359 (E_RNA)
where:
Base-Base interactions energy: -696.114
where: short stacking energy: -302.117
Base-Backbone interact. energy: -0.806
local terms energy: -336.140288
where:
bonds (distance) C4'-P energy: -58.954
bonds (distance) P-C4' energy: -68.300
flat angles C4'-P-C4' energy: -73.483
flat angles P-C4'-P energy: -49.191
tors. eta vs tors. theta energy: -86.212
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: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1026.661356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.661356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.661356 (E_RNA)
where:
Base-Base interactions energy: -720.697
where: short stacking energy: -309.054
Base-Backbone interact. energy: -0.624
local terms energy: -305.340949
where:
bonds (distance) C4'-P energy: -55.531
bonds (distance) P-C4' energy: -63.755
flat angles C4'-P-C4' energy: -67.194
flat angles P-C4'-P energy: -38.907
tors. eta vs tors. theta energy: -79.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -954.984850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.984850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.984850 (E_RNA)
where:
Base-Base interactions energy: -656.977
where: short stacking energy: -285.640
Base-Backbone interact. energy: -0.964
local terms energy: -297.043789
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -58.682
flat angles P-C4'-P energy: -44.759
tors. eta vs tors. theta energy: -84.644
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: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -897.711434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.711434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.711434 (E_RNA)
where:
Base-Base interactions energy: -601.914
where: short stacking energy: -274.149
Base-Backbone interact. energy: 0.653
local terms energy: -296.450498
where:
bonds (distance) C4'-P energy: -48.384
bonds (distance) P-C4' energy: -57.824
flat angles C4'-P-C4' energy: -66.017
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -83.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -818.621925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.621925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.621925 (E_RNA)
where:
Base-Base interactions energy: -535.638
where: short stacking energy: -240.460
Base-Backbone interact. energy: -0.976
local terms energy: -282.007820
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -67.091
flat angles C4'-P-C4' energy: -65.051
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -59.778
Dist. restrs. and SS energy: 0.000 (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: 112
Temperature: 1.150000
Total energy: -838.023341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.023341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.023341 (E_RNA)
where:
Base-Base interactions energy: -563.473
where: short stacking energy: -234.917
Base-Backbone interact. energy: 1.211
local terms energy: -275.761136
where:
bonds (distance) C4'-P energy: -50.588
bonds (distance) P-C4' energy: -66.451
flat angles C4'-P-C4' energy: -61.041
flat angles P-C4'-P energy: -33.613
tors. eta vs tors. theta energy: -64.067
Dist. restrs. and SS energy: 0.000 (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: 112
Temperature: 1.200000
Total energy: -766.885940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.885940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.885940 (E_RNA)
where:
Base-Base interactions energy: -509.858
where: short stacking energy: -230.915
Base-Backbone interact. energy: -0.943
local terms energy: -256.084274
where:
bonds (distance) C4'-P energy: -44.640
bonds (distance) P-C4' energy: -48.438
flat angles C4'-P-C4' energy: -61.716
flat angles P-C4'-P energy: -43.135
tors. eta vs tors. theta energy: -58.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -648.233735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.233735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.233735 (E_RNA)
where:
Base-Base interactions energy: -429.062
where: short stacking energy: -188.689
Base-Backbone interact. energy: 0.800
local terms energy: -219.971440
where:
bonds (distance) C4'-P energy: -51.949
bonds (distance) P-C4' energy: -52.830
flat angles C4'-P-C4' energy: -48.609
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: -35.564
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: 9, replica: 7
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -495.550985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.550985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.550985 (E_RNA)
where:
Base-Base interactions energy: -284.176
where: short stacking energy: -139.640
Base-Backbone interact. energy: -0.015
local terms energy: -211.359784
where:
bonds (distance) C4'-P energy: -56.510
bonds (distance) P-C4' energy: -65.511
flat angles C4'-P-C4' energy: -43.314
flat angles P-C4'-P energy: -30.313
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.000 (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: 112
Temperature: 1.350000
Total energy: -326.399241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.399241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.399241 (E_RNA)
where:
Base-Base interactions energy: -167.643
where: short stacking energy: -107.146
Base-Backbone interact. energy: 1.536
local terms energy: -160.292044
where:
bonds (distance) C4'-P energy: -42.288
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -35.807
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1031.205202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.205202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.205202 (E_RNA)
where:
Base-Base interactions energy: -700.579
where: short stacking energy: -299.889
Base-Backbone interact. energy: -1.343
local terms energy: -329.284053
where:
bonds (distance) C4'-P energy: -59.711
bonds (distance) P-C4' energy: -61.380
flat angles C4'-P-C4' energy: -70.313
flat angles P-C4'-P energy: -52.246
tors. eta vs tors. theta energy: -85.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1031.152303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.152303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.152303 (E_RNA)
where:
Base-Base interactions energy: -712.191
where: short stacking energy: -310.729
Base-Backbone interact. energy: -1.978
local terms energy: -316.983684
where:
bonds (distance) C4'-P energy: -54.254
bonds (distance) P-C4' energy: -48.303
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -58.170
tors. eta vs tors. theta energy: -84.944
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: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -950.872486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.872486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.872486 (E_RNA)
where:
Base-Base interactions energy: -658.017
where: short stacking energy: -276.110
Base-Backbone interact. energy: 3.371
local terms energy: -296.226833
where:
bonds (distance) C4'-P energy: -52.068
bonds (distance) P-C4' energy: -59.418
flat angles C4'-P-C4' energy: -62.930
flat angles P-C4'-P energy: -42.557
tors. eta vs tors. theta energy: -79.255
Dist. restrs. and SS energy: 0.000 (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: 113
Temperature: 1.050000
Total energy: -914.338381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.338381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.338381 (E_RNA)
where:
Base-Base interactions energy: -612.188
where: short stacking energy: -285.309
Base-Backbone interact. energy: -1.855
local terms energy: -300.295785
where:
bonds (distance) C4'-P energy: -52.884
bonds (distance) P-C4' energy: -60.485
flat angles C4'-P-C4' energy: -54.327
flat angles P-C4'-P energy: -49.183
tors. eta vs tors. theta energy: -83.417
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: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -822.237686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.237686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.237686 (E_RNA)
where:
Base-Base interactions energy: -548.634
where: short stacking energy: -250.915
Base-Backbone interact. energy: 0.292
local terms energy: -273.895683
where:
bonds (distance) C4'-P energy: -52.735
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -61.804
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -68.499
Dist. restrs. and SS energy: 0.000 (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: 113
Temperature: 1.150000
Total energy: -787.452019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.452019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.452019 (E_RNA)
where:
Base-Base interactions energy: -529.033
where: short stacking energy: -232.583
Base-Backbone interact. energy: 3.966
local terms energy: -262.384620
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -49.435
flat angles C4'-P-C4' energy: -66.949
flat angles P-C4'-P energy: -35.656
tors. eta vs tors. theta energy: -63.891
Dist. restrs. and SS energy: 0.000 (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: 113
Temperature: 1.200000
Total energy: -643.841487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.841487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.841487 (E_RNA)
where:
Base-Base interactions energy: -431.253
where: short stacking energy: -198.546
Base-Backbone interact. energy: 5.980
local terms energy: -218.568387
where:
bonds (distance) C4'-P energy: -30.774
bonds (distance) P-C4' energy: -56.751
flat angles C4'-P-C4' energy: -58.557
flat angles P-C4'-P energy: -25.437
tors. eta vs tors. theta energy: -47.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -623.794521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.794521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.794521 (E_RNA)
where:
Base-Base interactions energy: -414.563
where: short stacking energy: -187.946
Base-Backbone interact. energy: 2.049
local terms energy: -211.280493
where:
bonds (distance) C4'-P energy: -55.116
bonds (distance) P-C4' energy: -44.576
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -32.813
Dist. restrs. and SS energy: 0.000 (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: 113
Temperature: 1.300000
Total energy: -492.874518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.874518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.874518 (E_RNA)
where:
Base-Base interactions energy: -283.283
where: short stacking energy: -143.038
Base-Backbone interact. energy: 0.611
local terms energy: -210.202527
where:
bonds (distance) C4'-P energy: -59.081
bonds (distance) P-C4' energy: -62.626
flat angles C4'-P-C4' energy: -41.443
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -349.871251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.871251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.871251 (E_RNA)
where:
Base-Base interactions energy: -164.725
where: short stacking energy: -104.097
Base-Backbone interact. energy: 1.957
local terms energy: -187.102940
where:
bonds (distance) C4'-P energy: -58.380
bonds (distance) P-C4' energy: -54.835
flat angles C4'-P-C4' energy: -48.510
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -9.887
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: 1, replica: 8
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1014.485203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.485203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.485203 (E_RNA)
where:
Base-Base interactions energy: -693.434
where: short stacking energy: -306.103
Base-Backbone interact. energy: -0.444
local terms energy: -320.607156
where:
bonds (distance) C4'-P energy: -56.854
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -63.803
flat angles P-C4'-P energy: -48.929
tors. eta vs tors. theta energy: -92.086
Dist. restrs. and SS energy: 0.000 (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: 114
Temperature: 0.950000
Total energy: -1027.493580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.493580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.493580 (E_RNA)
where:
Base-Base interactions energy: -708.828
where: short stacking energy: -300.321
Base-Backbone interact. energy: -0.316
local terms energy: -318.349399
where:
bonds (distance) C4'-P energy: -56.939
bonds (distance) P-C4' energy: -55.103
flat angles C4'-P-C4' energy: -73.327
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -87.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -962.525842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.525842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.525842 (E_RNA)
where:
Base-Base interactions energy: -656.562
where: short stacking energy: -297.533
Base-Backbone interact. energy: 1.329
local terms energy: -307.293011
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -67.059
flat angles P-C4'-P energy: -43.018
tors. eta vs tors. theta energy: -81.963
Dist. restrs. and SS energy: 0.000 (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: 114
Temperature: 1.050000
Total energy: -931.073091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.073091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.073091 (E_RNA)
where:
Base-Base interactions energy: -627.359
where: short stacking energy: -291.477
Base-Backbone interact. energy: -0.287
local terms energy: -303.427246
where:
bonds (distance) C4'-P energy: -54.224
bonds (distance) P-C4' energy: -53.274
flat angles C4'-P-C4' energy: -64.769
flat angles P-C4'-P energy: -41.325
tors. eta vs tors. theta energy: -89.834
Dist. restrs. and SS energy: 0.000 (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: 114
Temperature: 1.100000
Total energy: -863.936217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.936217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.936217 (E_RNA)
where:
Base-Base interactions energy: -599.113
where: short stacking energy: -262.088
Base-Backbone interact. energy: -2.809
local terms energy: -262.014395
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -40.319
flat angles C4'-P-C4' energy: -65.231
flat angles P-C4'-P energy: -35.020
tors. eta vs tors. theta energy: -73.784
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -761.086360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.086360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.086360 (E_RNA)
where:
Base-Base interactions energy: -503.527
where: short stacking energy: -215.513
Base-Backbone interact. energy: 0.590
local terms energy: -258.149590
where:
bonds (distance) C4'-P energy: -45.065
bonds (distance) P-C4' energy: -54.320
flat angles C4'-P-C4' energy: -58.260
flat angles P-C4'-P energy: -37.597
tors. eta vs tors. theta energy: -62.907
Dist. restrs. and SS energy: 0.000 (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: 114
Temperature: 1.200000
Total energy: -640.633512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.633512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.633512 (E_RNA)
where:
Base-Base interactions energy: -402.467
where: short stacking energy: -205.213
Base-Backbone interact. energy: -1.234
local terms energy: -236.931862
where:
bonds (distance) C4'-P energy: -63.036
bonds (distance) P-C4' energy: -47.260
flat angles C4'-P-C4' energy: -53.124
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: -48.296
Dist. restrs. and SS energy: 0.000 (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: 114
Temperature: 1.250000
Total energy: -649.070859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.070859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.070859 (E_RNA)
where:
Base-Base interactions energy: -411.808
where: short stacking energy: -198.435
Base-Backbone interact. energy: 0.502
local terms energy: -237.764774
where:
bonds (distance) C4'-P energy: -44.081
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -60.240
flat angles P-C4'-P energy: -31.021
tors. eta vs tors. theta energy: -50.490
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: 9, replica: 7
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -464.897977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.897977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.897977 (E_RNA)
where:
Base-Base interactions energy: -262.193
where: short stacking energy: -139.461
Base-Backbone interact. energy: -2.665
local terms energy: -200.039450
where:
bonds (distance) C4'-P energy: -45.508
bonds (distance) P-C4' energy: -55.435
flat angles C4'-P-C4' energy: -53.418
flat angles P-C4'-P energy: -34.281
tors. eta vs tors. theta energy: -11.398
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: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -310.358169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.358169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.358169 (E_RNA)
where:
Base-Base interactions energy: -161.006
where: short stacking energy: -97.549
Base-Backbone interact. energy: -0.101
local terms energy: -149.251889
where:
bonds (distance) C4'-P energy: -49.919
bonds (distance) P-C4' energy: -41.880
flat angles C4'-P-C4' energy: -39.624
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1023.816491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.816491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.816491 (E_RNA)
where:
Base-Base interactions energy: -697.015
where: short stacking energy: -309.628
Base-Backbone interact. energy: -0.451
local terms energy: -326.350329
where:
bonds (distance) C4'-P energy: -60.116
bonds (distance) P-C4' energy: -58.878
flat angles C4'-P-C4' energy: -65.259
flat angles P-C4'-P energy: -54.501
tors. eta vs tors. theta energy: -87.597
Dist. restrs. and SS energy: 0.000 (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: 115
Temperature: 0.950000
Total energy: -1037.819491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.819491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.819491 (E_RNA)
where:
Base-Base interactions energy: -737.660
where: short stacking energy: -326.355
Base-Backbone interact. energy: -1.371
local terms energy: -298.787992
where:
bonds (distance) C4'-P energy: -48.955
bonds (distance) P-C4' energy: -53.837
flat angles C4'-P-C4' energy: -64.793
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -89.499
Dist. restrs. and SS energy: 0.000 (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: 115
Temperature: 1.000000
Total energy: -990.166667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.166667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.166667 (E_RNA)
where:
Base-Base interactions energy: -687.306
where: short stacking energy: -306.024
Base-Backbone interact. energy: -1.065
local terms energy: -301.795612
where:
bonds (distance) C4'-P energy: -52.310
bonds (distance) P-C4' energy: -61.059
flat angles C4'-P-C4' energy: -63.336
flat angles P-C4'-P energy: -42.488
tors. eta vs tors. theta energy: -82.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -900.674754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.674754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.674754 (E_RNA)
where:
Base-Base interactions energy: -610.772
where: short stacking energy: -276.380
Base-Backbone interact. energy: -1.164
local terms energy: -288.738303
where:
bonds (distance) C4'-P energy: -49.563
bonds (distance) P-C4' energy: -54.425
flat angles C4'-P-C4' energy: -60.577
flat angles P-C4'-P energy: -45.334
tors. eta vs tors. theta energy: -78.839
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: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -843.301092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.301092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.301092 (E_RNA)
where:
Base-Base interactions energy: -584.652
where: short stacking energy: -251.308
Base-Backbone interact. energy: -1.569
local terms energy: -257.079594
where:
bonds (distance) C4'-P energy: -53.255
bonds (distance) P-C4' energy: -51.121
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -57.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -757.683413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.683413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.683413 (E_RNA)
where:
Base-Base interactions energy: -510.678
where: short stacking energy: -227.396
Base-Backbone interact. energy: 1.505
local terms energy: -248.509604
where:
bonds (distance) C4'-P energy: -55.449
bonds (distance) P-C4' energy: -52.495
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -37.665
tors. eta vs tors. theta energy: -54.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -651.992751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.992751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.992751 (E_RNA)
where:
Base-Base interactions energy: -421.085
where: short stacking energy: -191.432
Base-Backbone interact. energy: 1.025
local terms energy: -231.932743
where:
bonds (distance) C4'-P energy: -48.215
bonds (distance) P-C4' energy: -43.952
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -46.394
tors. eta vs tors. theta energy: -38.670
Dist. restrs. and SS energy: 0.000 (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: 115
Temperature: 1.250000
Total energy: -592.712791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.712791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.712791 (E_RNA)
where:
Base-Base interactions energy: -377.761
where: short stacking energy: -183.210
Base-Backbone interact. energy: -1.625
local terms energy: -213.326262
where:
bonds (distance) C4'-P energy: -43.982
bonds (distance) P-C4' energy: -46.088
flat angles C4'-P-C4' energy: -49.668
flat angles P-C4'-P energy: -33.981
tors. eta vs tors. theta energy: -39.607
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: 9, replica: 7
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -460.533123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.533123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.533123 (E_RNA)
where:
Base-Base interactions energy: -256.098
where: short stacking energy: -132.242
Base-Backbone interact. energy: -0.845
local terms energy: -203.589995
where:
bonds (distance) C4'-P energy: -52.040
bonds (distance) P-C4' energy: -58.739
flat angles C4'-P-C4' energy: -45.993
flat angles P-C4'-P energy: -26.226
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (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: 115
Temperature: 1.350000
Total energy: -324.392942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.392942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.392942 (E_RNA)
where:
Base-Base interactions energy: -158.307
where: short stacking energy: -87.136
Base-Backbone interact. energy: 0.409
local terms energy: -166.495504
where:
bonds (distance) C4'-P energy: -45.889
bonds (distance) P-C4' energy: -57.534
flat angles C4'-P-C4' energy: -50.179
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: 2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1069.323193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.323193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.323193 (E_RNA)
where:
Base-Base interactions energy: -750.219
where: short stacking energy: -337.635
Base-Backbone interact. energy: -0.155
local terms energy: -318.949622
where:
bonds (distance) C4'-P energy: -59.701
bonds (distance) P-C4' energy: -51.679
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -45.782
tors. eta vs tors. theta energy: -91.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1009.229389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.229389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.229389 (E_RNA)
where:
Base-Base interactions energy: -684.083
where: short stacking energy: -294.757
Base-Backbone interact. energy: -1.278
local terms energy: -323.867538
where:
bonds (distance) C4'-P energy: -68.121
bonds (distance) P-C4' energy: -60.112
flat angles C4'-P-C4' energy: -67.778
flat angles P-C4'-P energy: -43.929
tors. eta vs tors. theta energy: -83.927
Dist. restrs. and SS energy: 0.000 (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: 116
Temperature: 1.000000
Total energy: -974.427074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.427074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.427074 (E_RNA)
where:
Base-Base interactions energy: -675.050
where: short stacking energy: -274.086
Base-Backbone interact. energy: -2.061
local terms energy: -297.315920
where:
bonds (distance) C4'-P energy: -45.205
bonds (distance) P-C4' energy: -54.989
flat angles C4'-P-C4' energy: -66.112
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -81.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -913.265300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.265300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.265300 (E_RNA)
where:
Base-Base interactions energy: -605.845
where: short stacking energy: -285.451
Base-Backbone interact. energy: 0.820
local terms energy: -308.240553
where:
bonds (distance) C4'-P energy: -57.942
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -67.586
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -78.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -864.600109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.600109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.600109 (E_RNA)
where:
Base-Base interactions energy: -607.291
where: short stacking energy: -257.427
Base-Backbone interact. energy: 0.302
local terms energy: -257.611143
where:
bonds (distance) C4'-P energy: -46.659
bonds (distance) P-C4' energy: -56.251
flat angles C4'-P-C4' energy: -48.817
flat angles P-C4'-P energy: -43.354
tors. eta vs tors. theta energy: -62.529
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: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -770.812605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.812605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.812605 (E_RNA)
where:
Base-Base interactions energy: -523.422
where: short stacking energy: -234.466
Base-Backbone interact. energy: -0.538
local terms energy: -246.852626
where:
bonds (distance) C4'-P energy: -36.277
bonds (distance) P-C4' energy: -57.813
flat angles C4'-P-C4' energy: -54.439
flat angles P-C4'-P energy: -34.872
tors. eta vs tors. theta energy: -63.451
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: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -646.859896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.859896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.859896 (E_RNA)
where:
Base-Base interactions energy: -410.807
where: short stacking energy: -196.477
Base-Backbone interact. energy: -0.530
local terms energy: -235.523061
where:
bonds (distance) C4'-P energy: -36.938
bonds (distance) P-C4' energy: -55.247
flat angles C4'-P-C4' energy: -56.346
flat angles P-C4'-P energy: -36.447
tors. eta vs tors. theta energy: -50.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -646.574698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.574698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.574698 (E_RNA)
where:
Base-Base interactions energy: -428.013
where: short stacking energy: -207.240
Base-Backbone interact. energy: 5.764
local terms energy: -224.325204
where:
bonds (distance) C4'-P energy: -47.890
bonds (distance) P-C4' energy: -60.543
flat angles C4'-P-C4' energy: -48.815
flat angles P-C4'-P energy: -20.321
tors. eta vs tors. theta energy: -46.756
Dist. restrs. and SS energy: 0.000 (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: 116
Temperature: 1.300000
Total energy: -479.714149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.714149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.714149 (E_RNA)
where:
Base-Base interactions energy: -270.492
where: short stacking energy: -153.660
Base-Backbone interact. energy: 4.620
local terms energy: -213.842938
where:
bonds (distance) C4'-P energy: -52.098
bonds (distance) P-C4' energy: -50.013
flat angles C4'-P-C4' energy: -56.789
flat angles P-C4'-P energy: -30.954
tors. eta vs tors. theta energy: -23.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -345.872027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.872027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.872027 (E_RNA)
where:
Base-Base interactions energy: -165.485
where: short stacking energy: -104.850
Base-Backbone interact. energy: 5.801
local terms energy: -186.188275
where:
bonds (distance) C4'-P energy: -47.483
bonds (distance) P-C4' energy: -43.139
flat angles C4'-P-C4' energy: -57.274
flat angles P-C4'-P energy: -35.875
tors. eta vs tors. theta energy: -2.417
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: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1058.582121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.582121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.582121 (E_RNA)
where:
Base-Base interactions energy: -732.516
where: short stacking energy: -325.049
Base-Backbone interact. energy: -0.374
local terms energy: -325.691860
where:
bonds (distance) C4'-P energy: -64.036
bonds (distance) P-C4' energy: -53.417
flat angles C4'-P-C4' energy: -72.692
flat angles P-C4'-P energy: -45.087
tors. eta vs tors. theta energy: -90.460
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: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1032.083672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.083672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.083672 (E_RNA)
where:
Base-Base interactions energy: -700.156
where: short stacking energy: -315.012
Base-Backbone interact. energy: -4.778
local terms energy: -327.149571
where:
bonds (distance) C4'-P energy: -54.420
bonds (distance) P-C4' energy: -53.032
flat angles C4'-P-C4' energy: -74.166
flat angles P-C4'-P energy: -53.545
tors. eta vs tors. theta energy: -91.986
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: 3, replica: 8
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -981.096058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.096058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.096058 (E_RNA)
where:
Base-Base interactions energy: -672.556
where: short stacking energy: -285.098
Base-Backbone interact. energy: -1.741
local terms energy: -306.799590
where:
bonds (distance) C4'-P energy: -45.966
bonds (distance) P-C4' energy: -64.724
flat angles C4'-P-C4' energy: -64.539
flat angles P-C4'-P energy: -45.223
tors. eta vs tors. theta energy: -86.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -919.274647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.274647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.274647 (E_RNA)
where:
Base-Base interactions energy: -619.865
where: short stacking energy: -290.497
Base-Backbone interact. energy: 1.695
local terms energy: -301.104913
where:
bonds (distance) C4'-P energy: -59.563
bonds (distance) P-C4' energy: -52.347
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -93.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -867.448737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.448737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.448737 (E_RNA)
where:
Base-Base interactions energy: -588.608
where: short stacking energy: -251.499
Base-Backbone interact. energy: -0.073
local terms energy: -278.768697
where:
bonds (distance) C4'-P energy: -50.326
bonds (distance) P-C4' energy: -61.209
flat angles C4'-P-C4' energy: -54.497
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -65.939
Dist. restrs. and SS energy: 0.000 (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: 117
Temperature: 1.150000
Total energy: -814.551305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.551305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.551305 (E_RNA)
where:
Base-Base interactions energy: -536.469
where: short stacking energy: -242.076
Base-Backbone interact. energy: -1.216
local terms energy: -276.866353
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -48.557
flat angles C4'-P-C4' energy: -60.144
flat angles P-C4'-P energy: -46.687
tors. eta vs tors. theta energy: -74.410
Dist. restrs. and SS energy: 0.000 (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: 117
Temperature: 1.200000
Total energy: -662.129218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.129218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.129218 (E_RNA)
where:
Base-Base interactions energy: -418.048
where: short stacking energy: -199.109
Base-Backbone interact. energy: -0.621
local terms energy: -243.461066
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -51.954
flat angles P-C4'-P energy: -35.062
tors. eta vs tors. theta energy: -51.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -648.314329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.314329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.314329 (E_RNA)
where:
Base-Base interactions energy: -404.552
where: short stacking energy: -191.310
Base-Backbone interact. energy: -1.086
local terms energy: -242.676869
where:
bonds (distance) C4'-P energy: -54.607
bonds (distance) P-C4' energy: -56.083
flat angles C4'-P-C4' energy: -46.408
flat angles P-C4'-P energy: -37.802
tors. eta vs tors. theta energy: -47.777
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: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -493.891484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.891484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.891484 (E_RNA)
where:
Base-Base interactions energy: -288.262
where: short stacking energy: -136.300
Base-Backbone interact. energy: -2.706
local terms energy: -202.923109
where:
bonds (distance) C4'-P energy: -50.488
bonds (distance) P-C4' energy: -55.273
flat angles C4'-P-C4' energy: -46.092
flat angles P-C4'-P energy: -30.697
tors. eta vs tors. theta energy: -20.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -374.973033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.973033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.973033 (E_RNA)
where:
Base-Base interactions energy: -204.649
where: short stacking energy: -100.414
Base-Backbone interact. energy: -0.804
local terms energy: -169.519854
where:
bonds (distance) C4'-P energy: -52.014
bonds (distance) P-C4' energy: -45.575
flat angles C4'-P-C4' energy: -48.728
flat angles P-C4'-P energy: -31.044
tors. eta vs tors. theta energy: 7.841
Dist. restrs. and SS energy: 0.000 (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: 118
Temperature: 0.900000
Total energy: -1045.590850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.590850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.590850 (E_RNA)
where:
Base-Base interactions energy: -726.337
where: short stacking energy: -309.349
Base-Backbone interact. energy: -1.187
local terms energy: -318.066449
where:
bonds (distance) C4'-P energy: -49.599
bonds (distance) P-C4' energy: -65.112
flat angles C4'-P-C4' energy: -77.670
flat angles P-C4'-P energy: -39.970
tors. eta vs tors. theta energy: -85.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -999.317075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.317075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.317075 (E_RNA)
where:
Base-Base interactions energy: -689.143
where: short stacking energy: -296.381
Base-Backbone interact. energy: -1.278
local terms energy: -308.896404
where:
bonds (distance) C4'-P energy: -62.440
bonds (distance) P-C4' energy: -53.892
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -42.468
tors. eta vs tors. theta energy: -87.896
Dist. restrs. and SS energy: 0.000 (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: 118
Temperature: 1.000000
Total energy: -971.339321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.339321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.339321 (E_RNA)
where:
Base-Base interactions energy: -667.861
where: short stacking energy: -291.176
Base-Backbone interact. energy: -0.604
local terms energy: -302.874783
where:
bonds (distance) C4'-P energy: -58.132
bonds (distance) P-C4' energy: -52.012
flat angles C4'-P-C4' energy: -68.942
flat angles P-C4'-P energy: -42.210
tors. eta vs tors. theta energy: -81.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -900.157541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.157541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.157541 (E_RNA)
where:
Base-Base interactions energy: -598.347
where: short stacking energy: -259.107
Base-Backbone interact. energy: 0.626
local terms energy: -302.437158
where:
bonds (distance) C4'-P energy: -58.142
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -64.998
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -79.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -886.028768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.028768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.028768 (E_RNA)
where:
Base-Base interactions energy: -606.845
where: short stacking energy: -267.913
Base-Backbone interact. energy: 0.332
local terms energy: -279.515815
where:
bonds (distance) C4'-P energy: -52.442
bonds (distance) P-C4' energy: -60.549
flat angles C4'-P-C4' energy: -58.027
flat angles P-C4'-P energy: -37.848
tors. eta vs tors. theta energy: -70.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -789.502214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.502214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.502214 (E_RNA)
where:
Base-Base interactions energy: -529.091
where: short stacking energy: -226.005
Base-Backbone interact. energy: 3.215
local terms energy: -263.625878
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -59.504
flat angles C4'-P-C4' energy: -52.482
flat angles P-C4'-P energy: -30.459
tors. eta vs tors. theta energy: -66.160
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: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -675.595338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.595338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.595338 (E_RNA)
where:
Base-Base interactions energy: -447.157
where: short stacking energy: -196.257
Base-Backbone interact. energy: -2.115
local terms energy: -226.323684
where:
bonds (distance) C4'-P energy: -42.135
bonds (distance) P-C4' energy: -44.870
flat angles C4'-P-C4' energy: -48.900
flat angles P-C4'-P energy: -37.399
tors. eta vs tors. theta energy: -53.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -645.280269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.280269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.280269 (E_RNA)
where:
Base-Base interactions energy: -418.867
where: short stacking energy: -200.801
Base-Backbone interact. energy: 0.637
local terms energy: -227.050036
where:
bonds (distance) C4'-P energy: -51.533
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -28.030
tors. eta vs tors. theta energy: -52.949
Dist. restrs. and SS energy: 0.000 (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: 118
Temperature: 1.300000
Total energy: -549.173832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.173832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.173832 (E_RNA)
where:
Base-Base interactions energy: -362.772
where: short stacking energy: -155.395
Base-Backbone interact. energy: -0.637
local terms energy: -185.765046
where:
bonds (distance) C4'-P energy: -44.048
bonds (distance) P-C4' energy: -44.844
flat angles C4'-P-C4' energy: -49.247
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -25.209
Dist. restrs. and SS energy: 0.000 (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: 118
Temperature: 1.350000
Total energy: -386.959319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.959319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.959319 (E_RNA)
where:
Base-Base interactions energy: -194.510
where: short stacking energy: -108.165
Base-Backbone interact. energy: 0.256
local terms energy: -192.705758
where:
bonds (distance) C4'-P energy: -56.828
bonds (distance) P-C4' energy: -49.644
flat angles C4'-P-C4' energy: -45.014
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -17.416
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: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1039.281405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.281405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.281405 (E_RNA)
where:
Base-Base interactions energy: -728.973
where: short stacking energy: -312.373
Base-Backbone interact. energy: -0.868
local terms energy: -309.440917
where:
bonds (distance) C4'-P energy: -48.072
bonds (distance) P-C4' energy: -55.135
flat angles C4'-P-C4' energy: -65.773
flat angles P-C4'-P energy: -53.778
tors. eta vs tors. theta energy: -86.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1002.541224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.541224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.541224 (E_RNA)
where:
Base-Base interactions energy: -687.777
where: short stacking energy: -301.129
Base-Backbone interact. energy: -1.918
local terms energy: -312.846439
where:
bonds (distance) C4'-P energy: -67.029
bonds (distance) P-C4' energy: -57.301
flat angles C4'-P-C4' energy: -62.972
flat angles P-C4'-P energy: -39.402
tors. eta vs tors. theta energy: -86.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -976.913801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.913801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.913801 (E_RNA)
where:
Base-Base interactions energy: -676.717
where: short stacking energy: -280.966
Base-Backbone interact. energy: -0.527
local terms energy: -299.669102
where:
bonds (distance) C4'-P energy: -65.733
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -58.690
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -80.413
Dist. restrs. and SS energy: 0.000 (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: 119
Temperature: 1.050000
Total energy: -907.283492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.283492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.283492 (E_RNA)
where:
Base-Base interactions energy: -613.435
where: short stacking energy: -271.647
Base-Backbone interact. energy: 1.092
local terms energy: -294.941065
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -61.917
flat angles C4'-P-C4' energy: -58.744
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -75.530
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: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -881.966869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.966869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.966869 (E_RNA)
where:
Base-Base interactions energy: -606.585
where: short stacking energy: -271.371
Base-Backbone interact. energy: -0.096
local terms energy: -275.286124
where:
bonds (distance) C4'-P energy: -50.518
bonds (distance) P-C4' energy: -62.997
flat angles C4'-P-C4' energy: -61.959
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -67.880
Dist. restrs. and SS energy: 0.000 (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: 119
Temperature: 1.150000
Total energy: -806.545364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.545364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.545364 (E_RNA)
where:
Base-Base interactions energy: -565.537
where: short stacking energy: -229.787
Base-Backbone interact. energy: 1.236
local terms energy: -242.243852
where:
bonds (distance) C4'-P energy: -43.516
bonds (distance) P-C4' energy: -54.815
flat angles C4'-P-C4' energy: -55.914
flat angles P-C4'-P energy: -38.637
tors. eta vs tors. theta energy: -49.362
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: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -688.985772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.985772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.985772 (E_RNA)
where:
Base-Base interactions energy: -435.002
where: short stacking energy: -197.540
Base-Backbone interact. energy: 1.407
local terms energy: -255.391147
where:
bonds (distance) C4'-P energy: -53.357
bonds (distance) P-C4' energy: -63.850
flat angles C4'-P-C4' energy: -57.152
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -47.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -645.083539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.083539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.083539 (E_RNA)
where:
Base-Base interactions energy: -396.621
where: short stacking energy: -192.073
Base-Backbone interact. energy: -1.327
local terms energy: -247.135287
where:
bonds (distance) C4'-P energy: -54.173
bonds (distance) P-C4' energy: -51.581
flat angles C4'-P-C4' energy: -55.218
flat angles P-C4'-P energy: -43.856
tors. eta vs tors. theta energy: -42.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -496.007814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.007814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.007814 (E_RNA)
where:
Base-Base interactions energy: -287.264
where: short stacking energy: -147.670
Base-Backbone interact. energy: -0.917
local terms energy: -207.827473
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -60.534
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -24.294
tors. eta vs tors. theta energy: -28.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -402.029565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.029565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.029565 (E_RNA)
where:
Base-Base interactions energy: -220.641
where: short stacking energy: -114.702
Base-Backbone interact. energy: -1.078
local terms energy: -180.310635
where:
bonds (distance) C4'-P energy: -41.784
bonds (distance) P-C4' energy: -51.634
flat angles C4'-P-C4' energy: -59.302
flat angles P-C4'-P energy: -19.984
tors. eta vs tors. theta energy: -7.606
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: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1022.427225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.427225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.427225 (E_RNA)
where:
Base-Base interactions energy: -726.747
where: short stacking energy: -304.084
Base-Backbone interact. energy: 1.423
local terms energy: -297.103434
where:
bonds (distance) C4'-P energy: -53.990
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -66.809
flat angles P-C4'-P energy: -42.229
tors. eta vs tors. theta energy: -77.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1008.763318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.763318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.763318 (E_RNA)
where:
Base-Base interactions energy: -696.691
where: short stacking energy: -305.494
Base-Backbone interact. energy: -0.660
local terms energy: -311.411876
where:
bonds (distance) C4'-P energy: -57.695
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -71.755
flat angles P-C4'-P energy: -38.853
tors. eta vs tors. theta energy: -90.140
Dist. restrs. and SS energy: 0.000 (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: 120
Temperature: 1.000000
Total energy: -966.951387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.951387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.951387 (E_RNA)
where:
Base-Base interactions energy: -674.140
where: short stacking energy: -300.233
Base-Backbone interact. energy: -0.518
local terms energy: -292.292863
where:
bonds (distance) C4'-P energy: -55.341
bonds (distance) P-C4' energy: -39.803
flat angles C4'-P-C4' energy: -64.736
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -91.261
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: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -917.959901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.959901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.959901 (E_RNA)
where:
Base-Base interactions energy: -611.117
where: short stacking energy: -286.951
Base-Backbone interact. energy: -1.118
local terms energy: -305.724225
where:
bonds (distance) C4'-P energy: -63.331
bonds (distance) P-C4' energy: -56.072
flat angles C4'-P-C4' energy: -65.166
flat angles P-C4'-P energy: -34.089
tors. eta vs tors. theta energy: -87.067
Dist. restrs. and SS energy: 0.000 (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: 120
Temperature: 1.100000
Total energy: -887.342201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.342201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.342201 (E_RNA)
where:
Base-Base interactions energy: -614.124
where: short stacking energy: -288.399
Base-Backbone interact. energy: -2.055
local terms energy: -271.163315
where:
bonds (distance) C4'-P energy: -55.867
bonds (distance) P-C4' energy: -54.035
flat angles C4'-P-C4' energy: -52.156
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -70.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -822.354293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.354293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.354293 (E_RNA)
where:
Base-Base interactions energy: -563.710
where: short stacking energy: -232.484
Base-Backbone interact. energy: -1.497
local terms energy: -257.147580
where:
bonds (distance) C4'-P energy: -47.547
bonds (distance) P-C4' energy: -49.531
flat angles C4'-P-C4' energy: -60.596
flat angles P-C4'-P energy: -38.630
tors. eta vs tors. theta energy: -60.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -688.346411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.346411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.346411 (E_RNA)
where:
Base-Base interactions energy: -426.903
where: short stacking energy: -205.189
Base-Backbone interact. energy: -2.781
local terms energy: -258.662139
where:
bonds (distance) C4'-P energy: -64.312
bonds (distance) P-C4' energy: -53.524
flat angles C4'-P-C4' energy: -52.734
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -51.694
Dist. restrs. and SS energy: 0.000 (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: 120
Temperature: 1.250000
Total energy: -641.537669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.537669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.537669 (E_RNA)
where:
Base-Base interactions energy: -407.531
where: short stacking energy: -194.238
Base-Backbone interact. energy: -1.749
local terms energy: -232.257850
where:
bonds (distance) C4'-P energy: -44.011
bonds (distance) P-C4' energy: -60.351
flat angles C4'-P-C4' energy: -52.693
flat angles P-C4'-P energy: -36.430
tors. eta vs tors. theta energy: -38.773
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: 9, replica: 7
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -513.012101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.012101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.012101 (E_RNA)
where:
Base-Base interactions energy: -324.397
where: short stacking energy: -136.614
Base-Backbone interact. energy: -0.346
local terms energy: -188.269381
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -48.312
flat angles C4'-P-C4' energy: -50.027
flat angles P-C4'-P energy: -25.653
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: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -328.586393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.586393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.586393 (E_RNA)
where:
Base-Base interactions energy: -158.166
where: short stacking energy: -109.638
Base-Backbone interact. energy: 0.968
local terms energy: -171.388893
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -49.116
flat angles C4'-P-C4' energy: -46.285
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1033.917798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.917798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.917798 (E_RNA)
where:
Base-Base interactions energy: -720.609
where: short stacking energy: -296.808
Base-Backbone interact. energy: -3.367
local terms energy: -309.941191
where:
bonds (distance) C4'-P energy: -57.034
bonds (distance) P-C4' energy: -66.112
flat angles C4'-P-C4' energy: -66.534
flat angles P-C4'-P energy: -45.628
tors. eta vs tors. theta energy: -74.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1008.604468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.604468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.604468 (E_RNA)
where:
Base-Base interactions energy: -687.585
where: short stacking energy: -295.802
Base-Backbone interact. energy: -1.007
local terms energy: -320.012937
where:
bonds (distance) C4'-P energy: -58.261
bonds (distance) P-C4' energy: -54.465
flat angles C4'-P-C4' energy: -73.326
flat angles P-C4'-P energy: -41.787
tors. eta vs tors. theta energy: -92.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -982.462222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.462222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.462222 (E_RNA)
where:
Base-Base interactions energy: -674.275
where: short stacking energy: -286.759
Base-Backbone interact. energy: -1.302
local terms energy: -306.885759
where:
bonds (distance) C4'-P energy: -49.811
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -69.040
flat angles P-C4'-P energy: -40.929
tors. eta vs tors. theta energy: -87.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -950.803409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.803409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.803409 (E_RNA)
where:
Base-Base interactions energy: -636.377
where: short stacking energy: -282.505
Base-Backbone interact. energy: -2.111
local terms energy: -312.316082
where:
bonds (distance) C4'-P energy: -57.793
bonds (distance) P-C4' energy: -62.135
flat angles C4'-P-C4' energy: -66.073
flat angles P-C4'-P energy: -46.223
tors. eta vs tors. theta energy: -80.092
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: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -870.646737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.646737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.646737 (E_RNA)
where:
Base-Base interactions energy: -593.549
where: short stacking energy: -271.035
Base-Backbone interact. energy: 0.150
local terms energy: -277.247479
where:
bonds (distance) C4'-P energy: -47.272
bonds (distance) P-C4' energy: -53.406
flat angles C4'-P-C4' energy: -60.554
flat angles P-C4'-P energy: -40.709
tors. eta vs tors. theta energy: -75.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -828.082342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.082342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.082342 (E_RNA)
where:
Base-Base interactions energy: -576.638
where: short stacking energy: -220.447
Base-Backbone interact. energy: -1.371
local terms energy: -250.073418
where:
bonds (distance) C4'-P energy: -53.974
bonds (distance) P-C4' energy: -52.788
flat angles C4'-P-C4' energy: -54.690
flat angles P-C4'-P energy: -37.618
tors. eta vs tors. theta energy: -51.003
Dist. restrs. and SS energy: 0.000 (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: 121
Temperature: 1.200000
Total energy: -675.867851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.867851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.867851 (E_RNA)
where:
Base-Base interactions energy: -435.788
where: short stacking energy: -199.402
Base-Backbone interact. energy: -0.478
local terms energy: -239.602169
where:
bonds (distance) C4'-P energy: -45.527
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -63.131
flat angles P-C4'-P energy: -30.574
tors. eta vs tors. theta energy: -47.891
Dist. restrs. and SS energy: 0.000 (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: 121
Temperature: 1.250000
Total energy: -639.306278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.306278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.306278 (E_RNA)
where:
Base-Base interactions energy: -421.120
where: short stacking energy: -195.049
Base-Backbone interact. energy: 1.211
local terms energy: -219.397613
where:
bonds (distance) C4'-P energy: -39.520
bonds (distance) P-C4' energy: -52.301
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -27.911
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -484.759829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.759829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.759829 (E_RNA)
where:
Base-Base interactions energy: -292.078
where: short stacking energy: -142.372
Base-Backbone interact. energy: -0.699
local terms energy: -191.982311
where:
bonds (distance) C4'-P energy: -48.154
bonds (distance) P-C4' energy: -48.508
flat angles C4'-P-C4' energy: -52.077
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: -22.734
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: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -364.723006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.723006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.723006 (E_RNA)
where:
Base-Base interactions energy: -175.040
where: short stacking energy: -108.104
Base-Backbone interact. energy: 0.610
local terms energy: -190.292515
where:
bonds (distance) C4'-P energy: -58.777
bonds (distance) P-C4' energy: -57.554
flat angles C4'-P-C4' energy: -37.359
flat angles P-C4'-P energy: -32.559
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (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: 122
Temperature: 0.900000
Total energy: -1024.406340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.406340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.406340 (E_RNA)
where:
Base-Base interactions energy: -704.298
where: short stacking energy: -302.935
Base-Backbone interact. energy: -0.377
local terms energy: -319.731213
where:
bonds (distance) C4'-P energy: -58.625
bonds (distance) P-C4' energy: -62.677
flat angles C4'-P-C4' energy: -71.254
flat angles P-C4'-P energy: -47.954
tors. eta vs tors. theta energy: -79.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1001.758127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.758127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.758127 (E_RNA)
where:
Base-Base interactions energy: -681.117
where: short stacking energy: -297.172
Base-Backbone interact. energy: -0.478
local terms energy: -320.163729
where:
bonds (distance) C4'-P energy: -58.271
bonds (distance) P-C4' energy: -60.988
flat angles C4'-P-C4' energy: -67.966
flat angles P-C4'-P energy: -49.067
tors. eta vs tors. theta energy: -83.872
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: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1009.555323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.555323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.555323 (E_RNA)
where:
Base-Base interactions energy: -702.203
where: short stacking energy: -304.801
Base-Backbone interact. energy: -2.440
local terms energy: -304.912601
where:
bonds (distance) C4'-P energy: -44.960
bonds (distance) P-C4' energy: -59.881
flat angles C4'-P-C4' energy: -63.933
flat angles P-C4'-P energy: -48.032
tors. eta vs tors. theta energy: -88.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -930.086454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.086454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.086454 (E_RNA)
where:
Base-Base interactions energy: -629.266
where: short stacking energy: -286.190
Base-Backbone interact. energy: -1.108
local terms energy: -299.712669
where:
bonds (distance) C4'-P energy: -49.575
bonds (distance) P-C4' energy: -53.324
flat angles C4'-P-C4' energy: -69.230
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -84.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -868.294478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.294478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.294478 (E_RNA)
where:
Base-Base interactions energy: -597.514
where: short stacking energy: -268.961
Base-Backbone interact. energy: -1.866
local terms energy: -268.913847
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -48.481
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: -66.595
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: 6, replica: 1
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -808.664400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.664400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.664400 (E_RNA)
where:
Base-Base interactions energy: -557.461
where: short stacking energy: -227.480
Base-Backbone interact. energy: -0.157
local terms energy: -251.046907
where:
bonds (distance) C4'-P energy: -52.277
bonds (distance) P-C4' energy: -50.589
flat angles C4'-P-C4' energy: -63.976
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -45.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -646.440358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.440358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.440358 (E_RNA)
where:
Base-Base interactions energy: -429.303
where: short stacking energy: -200.317
Base-Backbone interact. energy: -0.897
local terms energy: -216.240891
where:
bonds (distance) C4'-P energy: -49.432
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -46.676
flat angles P-C4'-P energy: -22.831
tors. eta vs tors. theta energy: -43.568
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -651.133740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.133740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.133740 (E_RNA)
where:
Base-Base interactions energy: -411.191
where: short stacking energy: -198.618
Base-Backbone interact. energy: 2.087
local terms energy: -242.029538
where:
bonds (distance) C4'-P energy: -57.827
bonds (distance) P-C4' energy: -52.804
flat angles C4'-P-C4' energy: -56.188
flat angles P-C4'-P energy: -36.070
tors. eta vs tors. theta energy: -39.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -498.287639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.287639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.287639 (E_RNA)
where:
Base-Base interactions energy: -286.800
where: short stacking energy: -147.057
Base-Backbone interact. energy: -1.273
local terms energy: -210.214779
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -47.573
flat angles C4'-P-C4' energy: -55.253
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: -16.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -334.426105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.426105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.426105 (E_RNA)
where:
Base-Base interactions energy: -166.218
where: short stacking energy: -92.583
Base-Backbone interact. energy: -0.928
local terms energy: -167.280399
where:
bonds (distance) C4'-P energy: -48.723
bonds (distance) P-C4' energy: -49.127
flat angles C4'-P-C4' energy: -42.076
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: 7.679
Dist. restrs. and SS energy: 0.000 (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: 123
Temperature: 0.900000
Total energy: -1052.538364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.538364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.538364 (E_RNA)
where:
Base-Base interactions energy: -724.932
where: short stacking energy: -285.345
Base-Backbone interact. energy: -0.203
local terms energy: -327.403969
where:
bonds (distance) C4'-P energy: -64.185
bonds (distance) P-C4' energy: -63.342
flat angles C4'-P-C4' energy: -66.730
flat angles P-C4'-P energy: -49.128
tors. eta vs tors. theta energy: -84.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1037.820139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.820139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.820139 (E_RNA)
where:
Base-Base interactions energy: -705.271
where: short stacking energy: -308.550
Base-Backbone interact. energy: -0.991
local terms energy: -331.557692
where:
bonds (distance) C4'-P energy: -53.298
bonds (distance) P-C4' energy: -64.601
flat angles C4'-P-C4' energy: -69.736
flat angles P-C4'-P energy: -53.537
tors. eta vs tors. theta energy: -90.387
Dist. restrs. and SS energy: 0.000 (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: 123
Temperature: 1.000000
Total energy: -963.636803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.636803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.636803 (E_RNA)
where:
Base-Base interactions energy: -678.550
where: short stacking energy: -287.700
Base-Backbone interact. energy: -1.051
local terms energy: -284.035789
where:
bonds (distance) C4'-P energy: -54.921
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -40.219
tors. eta vs tors. theta energy: -78.228
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: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -925.113821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.113821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.113821 (E_RNA)
where:
Base-Base interactions energy: -601.747
where: short stacking energy: -281.957
Base-Backbone interact. energy: 1.232
local terms energy: -324.598912
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -61.860
flat angles C4'-P-C4' energy: -75.364
flat angles P-C4'-P energy: -45.618
tors. eta vs tors. theta energy: -83.722
Dist. restrs. and SS energy: 0.000 (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: 123
Temperature: 1.100000
Total energy: -870.377884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.377884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.377884 (E_RNA)
where:
Base-Base interactions energy: -602.661
where: short stacking energy: -272.070
Base-Backbone interact. energy: 0.762
local terms energy: -268.478563
where:
bonds (distance) C4'-P energy: -36.706
bonds (distance) P-C4' energy: -59.160
flat angles C4'-P-C4' energy: -60.201
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -68.794
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: 6, replica: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -834.539288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.539288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.539288 (E_RNA)
where:
Base-Base interactions energy: -592.707
where: short stacking energy: -249.113
Base-Backbone interact. energy: -1.447
local terms energy: -240.385486
where:
bonds (distance) C4'-P energy: -40.918
bonds (distance) P-C4' energy: -52.981
flat angles C4'-P-C4' energy: -59.123
flat angles P-C4'-P energy: -34.234
tors. eta vs tors. theta energy: -53.130
Dist. restrs. and SS energy: 0.000 (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: 123
Temperature: 1.200000
Total energy: -644.196063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.196063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.196063 (E_RNA)
where:
Base-Base interactions energy: -414.062
where: short stacking energy: -203.692
Base-Backbone interact. energy: -1.638
local terms energy: -228.496470
where:
bonds (distance) C4'-P energy: -57.479
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -55.816
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: -34.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -595.640209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.640209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.640209 (E_RNA)
where:
Base-Base interactions energy: -375.422
where: short stacking energy: -171.263
Base-Backbone interact. energy: -3.659
local terms energy: -216.559829
where:
bonds (distance) C4'-P energy: -49.118
bonds (distance) P-C4' energy: -50.417
flat angles C4'-P-C4' energy: -47.342
flat angles P-C4'-P energy: -31.386
tors. eta vs tors. theta energy: -38.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -487.546112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.546112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.546112 (E_RNA)
where:
Base-Base interactions energy: -293.647
where: short stacking energy: -149.974
Base-Backbone interact. energy: 0.066
local terms energy: -193.965283
where:
bonds (distance) C4'-P energy: -42.999
bonds (distance) P-C4' energy: -49.390
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -26.297
tors. eta vs tors. theta energy: -23.947
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: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -361.342058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.342058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.342058 (E_RNA)
where:
Base-Base interactions energy: -163.118
where: short stacking energy: -111.479
Base-Backbone interact. energy: 0.980
local terms energy: -199.204204
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -45.864
flat angles C4'-P-C4' energy: -56.977
flat angles P-C4'-P energy: -35.201
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1035.076577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.076577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.076577 (E_RNA)
where:
Base-Base interactions energy: -710.956
where: short stacking energy: -305.808
Base-Backbone interact. energy: -1.958
local terms energy: -322.162523
where:
bonds (distance) C4'-P energy: -60.589
bonds (distance) P-C4' energy: -59.736
flat angles C4'-P-C4' energy: -68.614
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -88.078
Dist. restrs. and SS energy: 0.000 (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: 124
Temperature: 0.950000
Total energy: -1056.678496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.678496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.678496 (E_RNA)
where:
Base-Base interactions energy: -728.936
where: short stacking energy: -312.306
Base-Backbone interact. energy: 1.719
local terms energy: -329.461625
where:
bonds (distance) C4'-P energy: -57.108
bonds (distance) P-C4' energy: -63.767
flat angles C4'-P-C4' energy: -68.393
flat angles P-C4'-P energy: -53.909
tors. eta vs tors. theta energy: -86.284
Dist. restrs. and SS energy: 0.000 (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: 124
Temperature: 1.000000
Total energy: -957.706456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.706456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.706456 (E_RNA)
where:
Base-Base interactions energy: -653.172
where: short stacking energy: -306.029
Base-Backbone interact. energy: -0.346
local terms energy: -304.188672
where:
bonds (distance) C4'-P energy: -59.027
bonds (distance) P-C4' energy: -58.158
flat angles C4'-P-C4' energy: -59.254
flat angles P-C4'-P energy: -45.623
tors. eta vs tors. theta energy: -82.127
Dist. restrs. and SS energy: 0.000 (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: 124
Temperature: 1.050000
Total energy: -948.024387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.024387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.024387 (E_RNA)
where:
Base-Base interactions energy: -661.428
where: short stacking energy: -280.285
Base-Backbone interact. energy: -0.405
local terms energy: -286.191063
where:
bonds (distance) C4'-P energy: -65.949
bonds (distance) P-C4' energy: -49.469
flat angles C4'-P-C4' energy: -58.183
flat angles P-C4'-P energy: -36.093
tors. eta vs tors. theta energy: -76.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -888.278573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.278573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.278573 (E_RNA)
where:
Base-Base interactions energy: -636.304
where: short stacking energy: -253.621
Base-Backbone interact. energy: -0.792
local terms energy: -251.182295
where:
bonds (distance) C4'-P energy: -43.222
bonds (distance) P-C4' energy: -44.712
flat angles C4'-P-C4' energy: -58.601
flat angles P-C4'-P energy: -30.995
tors. eta vs tors. theta energy: -73.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -821.108186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.108186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.108186 (E_RNA)
where:
Base-Base interactions energy: -548.985
where: short stacking energy: -238.733
Base-Backbone interact. energy: -0.161
local terms energy: -271.962413
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -59.694
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: -59.001
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: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -647.660404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.660404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.660404 (E_RNA)
where:
Base-Base interactions energy: -393.727
where: short stacking energy: -184.796
Base-Backbone interact. energy: -1.557
local terms energy: -252.376603
where:
bonds (distance) C4'-P energy: -61.007
bonds (distance) P-C4' energy: -63.651
flat angles C4'-P-C4' energy: -49.853
flat angles P-C4'-P energy: -31.004
tors. eta vs tors. theta energy: -46.861
Dist. restrs. and SS energy: 0.000 (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: 124
Temperature: 1.250000
Total energy: -653.854290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.854290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.854290 (E_RNA)
where:
Base-Base interactions energy: -434.685
where: short stacking energy: -212.463
Base-Backbone interact. energy: -0.421
local terms energy: -218.748593
where:
bonds (distance) C4'-P energy: -50.188
bonds (distance) P-C4' energy: -44.083
flat angles C4'-P-C4' energy: -61.465
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -39.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -509.976979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.976979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.976979 (E_RNA)
where:
Base-Base interactions energy: -290.995
where: short stacking energy: -141.478
Base-Backbone interact. energy: 2.357
local terms energy: -221.339232
where:
bonds (distance) C4'-P energy: -61.461
bonds (distance) P-C4' energy: -58.281
flat angles C4'-P-C4' energy: -51.526
flat angles P-C4'-P energy: -21.923
tors. eta vs tors. theta energy: -28.148
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: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -338.244143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.244143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.244143 (E_RNA)
where:
Base-Base interactions energy: -177.284
where: short stacking energy: -111.919
Base-Backbone interact. energy: 0.971
local terms energy: -161.930510
where:
bonds (distance) C4'-P energy: -53.118
bonds (distance) P-C4' energy: -44.988
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -27.674
tors. eta vs tors. theta energy: 1.866
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: 125
Temperature: 0.900000
Total energy: -1031.808528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.808528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.808528 (E_RNA)
where:
Base-Base interactions energy: -701.787
where: short stacking energy: -304.073
Base-Backbone interact. energy: -1.224
local terms energy: -328.797855
where:
bonds (distance) C4'-P energy: -62.095
bonds (distance) P-C4' energy: -61.388
flat angles C4'-P-C4' energy: -65.454
flat angles P-C4'-P energy: -54.532
tors. eta vs tors. theta energy: -85.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1032.497765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.497765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.497765 (E_RNA)
where:
Base-Base interactions energy: -711.497
where: short stacking energy: -313.356
Base-Backbone interact. energy: -1.735
local terms energy: -319.265293
where:
bonds (distance) C4'-P energy: -58.928
bonds (distance) P-C4' energy: -60.064
flat angles C4'-P-C4' energy: -53.874
flat angles P-C4'-P energy: -50.992
tors. eta vs tors. theta energy: -95.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -955.278980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.278980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.278980 (E_RNA)
where:
Base-Base interactions energy: -641.736
where: short stacking energy: -300.411
Base-Backbone interact. energy: -0.661
local terms energy: -312.881255
where:
bonds (distance) C4'-P energy: -48.541
bonds (distance) P-C4' energy: -68.815
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -47.416
tors. eta vs tors. theta energy: -92.841
Dist. restrs. and SS energy: 0.000 (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: 125
Temperature: 1.050000
Total energy: -964.664279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.664279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.664279 (E_RNA)
where:
Base-Base interactions energy: -661.227
where: short stacking energy: -266.094
Base-Backbone interact. energy: -2.761
local terms energy: -300.675862
where:
bonds (distance) C4'-P energy: -51.658
bonds (distance) P-C4' energy: -59.702
flat angles C4'-P-C4' energy: -62.429
flat angles P-C4'-P energy: -49.119
tors. eta vs tors. theta energy: -77.768
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: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -911.970592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.970592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.970592 (E_RNA)
where:
Base-Base interactions energy: -647.750
where: short stacking energy: -287.783
Base-Backbone interact. energy: 1.882
local terms energy: -266.102492
where:
bonds (distance) C4'-P energy: -45.454
bonds (distance) P-C4' energy: -55.758
flat angles C4'-P-C4' energy: -61.086
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -72.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -837.764567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.764567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.764567 (E_RNA)
where:
Base-Base interactions energy: -562.475
where: short stacking energy: -260.332
Base-Backbone interact. energy: 0.112
local terms energy: -275.401597
where:
bonds (distance) C4'-P energy: -65.579
bonds (distance) P-C4' energy: -48.904
flat angles C4'-P-C4' energy: -66.645
flat angles P-C4'-P energy: -28.690
tors. eta vs tors. theta energy: -65.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -675.650386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.650386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.650386 (E_RNA)
where:
Base-Base interactions energy: -442.774
where: short stacking energy: -215.431
Base-Backbone interact. energy: -0.776
local terms energy: -232.100057
where:
bonds (distance) C4'-P energy: -33.430
bonds (distance) P-C4' energy: -56.737
flat angles C4'-P-C4' energy: -56.164
flat angles P-C4'-P energy: -29.510
tors. eta vs tors. theta energy: -56.259
Dist. restrs. and SS energy: 0.000 (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: 125
Temperature: 1.250000
Total energy: -604.290028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.290028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.290028 (E_RNA)
where:
Base-Base interactions energy: -393.038
where: short stacking energy: -177.075
Base-Backbone interact. energy: -0.371
local terms energy: -210.881226
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -51.866
flat angles C4'-P-C4' energy: -50.000
flat angles P-C4'-P energy: -34.396
tors. eta vs tors. theta energy: -28.997
Dist. restrs. and SS energy: 0.000 (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: 125
Temperature: 1.300000
Total energy: -489.376721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.376721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.376721 (E_RNA)
where:
Base-Base interactions energy: -287.205
where: short stacking energy: -133.531
Base-Backbone interact. energy: -1.179
local terms energy: -200.993311
where:
bonds (distance) C4'-P energy: -45.300
bonds (distance) P-C4' energy: -55.052
flat angles C4'-P-C4' energy: -45.242
flat angles P-C4'-P energy: -34.783
tors. eta vs tors. theta energy: -20.617
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: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -342.382629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.382629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.382629 (E_RNA)
where:
Base-Base interactions energy: -178.120
where: short stacking energy: -113.828
Base-Backbone interact. energy: -1.688
local terms energy: -162.575196
where:
bonds (distance) C4'-P energy: -40.129
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -41.850
flat angles P-C4'-P energy: -32.503
tors. eta vs tors. theta energy: 0.057
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: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1046.005137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.005137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.005137 (E_RNA)
where:
Base-Base interactions energy: -723.378
where: short stacking energy: -322.110
Base-Backbone interact. energy: -0.626
local terms energy: -322.000660
where:
bonds (distance) C4'-P energy: -52.010
bonds (distance) P-C4' energy: -69.569
flat angles C4'-P-C4' energy: -63.194
flat angles P-C4'-P energy: -47.669
tors. eta vs tors. theta energy: -89.559
Dist. restrs. and SS energy: 0.000 (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: 126
Temperature: 0.950000
Total energy: -997.964708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.964708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.964708 (E_RNA)
where:
Base-Base interactions energy: -692.896
where: short stacking energy: -290.941
Base-Backbone interact. energy: -1.595
local terms energy: -303.473617
where:
bonds (distance) C4'-P energy: -61.701
bonds (distance) P-C4' energy: -44.856
flat angles C4'-P-C4' energy: -69.155
flat angles P-C4'-P energy: -51.361
tors. eta vs tors. theta energy: -76.402
Dist. restrs. and SS energy: 0.000 (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: 126
Temperature: 1.000000
Total energy: -992.948902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.948902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.948902 (E_RNA)
where:
Base-Base interactions energy: -691.469
where: short stacking energy: -287.435
Base-Backbone interact. energy: -1.797
local terms energy: -299.682933
where:
bonds (distance) C4'-P energy: -57.442
bonds (distance) P-C4' energy: -59.927
flat angles C4'-P-C4' energy: -58.507
flat angles P-C4'-P energy: -45.076
tors. eta vs tors. theta energy: -78.731
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: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -901.434424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.434424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.434424 (E_RNA)
where:
Base-Base interactions energy: -601.276
where: short stacking energy: -271.390
Base-Backbone interact. energy: -0.513
local terms energy: -299.645930
where:
bonds (distance) C4'-P energy: -47.777
bonds (distance) P-C4' energy: -64.754
flat angles C4'-P-C4' energy: -59.241
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -82.329
Dist. restrs. and SS energy: 0.000 (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: 126
Temperature: 1.100000
Total energy: -927.618683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.618683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.618683 (E_RNA)
where:
Base-Base interactions energy: -636.772
where: short stacking energy: -270.869
Base-Backbone interact. energy: -0.281
local terms energy: -290.565667
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -61.421
flat angles C4'-P-C4' energy: -55.251
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -73.325
Dist. restrs. and SS energy: 0.000 (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: 126
Temperature: 1.150000
Total energy: -819.714664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.714664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.714664 (E_RNA)
where:
Base-Base interactions energy: -554.402
where: short stacking energy: -245.879
Base-Backbone interact. energy: -0.985
local terms energy: -264.327974
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -47.948
flat angles C4'-P-C4' energy: -56.998
flat angles P-C4'-P energy: -33.315
tors. eta vs tors. theta energy: -67.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -667.214493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.214493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.214493 (E_RNA)
where:
Base-Base interactions energy: -429.770
where: short stacking energy: -191.380
Base-Backbone interact. energy: -0.258
local terms energy: -237.186919
where:
bonds (distance) C4'-P energy: -57.834
bonds (distance) P-C4' energy: -47.708
flat angles C4'-P-C4' energy: -64.136
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -32.804
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: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -613.066941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.066941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.066941 (E_RNA)
where:
Base-Base interactions energy: -381.247
where: short stacking energy: -183.887
Base-Backbone interact. energy: -0.550
local terms energy: -231.270088
where:
bonds (distance) C4'-P energy: -51.605
bonds (distance) P-C4' energy: -62.573
flat angles C4'-P-C4' energy: -41.892
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: -34.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -516.090804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.090804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.090804 (E_RNA)
where:
Base-Base interactions energy: -299.938
where: short stacking energy: -141.818
Base-Backbone interact. energy: -1.484
local terms energy: -214.668041
where:
bonds (distance) C4'-P energy: -54.630
bonds (distance) P-C4' energy: -46.672
flat angles C4'-P-C4' energy: -56.781
flat angles P-C4'-P energy: -30.162
tors. eta vs tors. theta energy: -26.423
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: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -390.290244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.290244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.290244 (E_RNA)
where:
Base-Base interactions energy: -205.246
where: short stacking energy: -107.573
Base-Backbone interact. energy: -1.533
local terms energy: -183.511209
where:
bonds (distance) C4'-P energy: -51.737
bonds (distance) P-C4' energy: -60.492
flat angles C4'-P-C4' energy: -46.861
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1045.556047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.556047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.556047 (E_RNA)
where:
Base-Base interactions energy: -717.850
where: short stacking energy: -309.958
Base-Backbone interact. energy: 0.013
local terms energy: -327.718679
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -59.762
flat angles C4'-P-C4' energy: -75.682
flat angles P-C4'-P energy: -53.718
tors. eta vs tors. theta energy: -86.174
Dist. restrs. and SS energy: 0.000 (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: 127
Temperature: 0.950000
Total energy: -1019.193840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.193840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.193840 (E_RNA)
where:
Base-Base interactions energy: -706.731
where: short stacking energy: -307.995
Base-Backbone interact. energy: -0.904
local terms energy: -311.558702
where:
bonds (distance) C4'-P energy: -58.018
bonds (distance) P-C4' energy: -60.026
flat angles C4'-P-C4' energy: -63.771
flat angles P-C4'-P energy: -47.622
tors. eta vs tors. theta energy: -82.121
Dist. restrs. and SS energy: 0.000 (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: 127
Temperature: 1.000000
Total energy: -977.226641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.226641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.226641 (E_RNA)
where:
Base-Base interactions energy: -667.220
where: short stacking energy: -296.381
Base-Backbone interact. energy: -0.664
local terms energy: -309.342313
where:
bonds (distance) C4'-P energy: -53.771
bonds (distance) P-C4' energy: -65.350
flat angles C4'-P-C4' energy: -64.926
flat angles P-C4'-P energy: -40.812
tors. eta vs tors. theta energy: -84.484
Dist. restrs. and SS energy: 0.000 (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: 127
Temperature: 1.050000
Total energy: -954.780583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.780583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.780583 (E_RNA)
where:
Base-Base interactions energy: -639.150
where: short stacking energy: -283.264
Base-Backbone interact. energy: -0.700
local terms energy: -314.930086
where:
bonds (distance) C4'-P energy: -60.050
bonds (distance) P-C4' energy: -62.867
flat angles C4'-P-C4' energy: -65.465
flat angles P-C4'-P energy: -50.642
tors. eta vs tors. theta energy: -75.906
Dist. restrs. and SS energy: 0.000 (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: 127
Temperature: 1.100000
Total energy: -893.247965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.247965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.247965 (E_RNA)
where:
Base-Base interactions energy: -604.710
where: short stacking energy: -296.426
Base-Backbone interact. energy: -0.076
local terms energy: -288.461798
where:
bonds (distance) C4'-P energy: -45.854
bonds (distance) P-C4' energy: -58.032
flat angles C4'-P-C4' energy: -63.028
flat angles P-C4'-P energy: -36.325
tors. eta vs tors. theta energy: -85.223
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: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -802.228416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.228416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.228416 (E_RNA)
where:
Base-Base interactions energy: -527.281
where: short stacking energy: -245.668
Base-Backbone interact. energy: -1.247
local terms energy: -273.699720
where:
bonds (distance) C4'-P energy: -62.245
bonds (distance) P-C4' energy: -47.895
flat angles C4'-P-C4' energy: -47.218
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -71.925
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: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -665.728354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.728354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.728354 (E_RNA)
where:
Base-Base interactions energy: -429.334
where: short stacking energy: -215.595
Base-Backbone interact. energy: -0.944
local terms energy: -235.449957
where:
bonds (distance) C4'-P energy: -39.136
bonds (distance) P-C4' energy: -54.796
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: -55.391
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: 8, replica: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -544.700060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.700060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.700060 (E_RNA)
where:
Base-Base interactions energy: -327.357
where: short stacking energy: -157.180
Base-Backbone interact. energy: -2.589
local terms energy: -214.753879
where:
bonds (distance) C4'-P energy: -60.750
bonds (distance) P-C4' energy: -53.264
flat angles C4'-P-C4' energy: -45.674
flat angles P-C4'-P energy: -33.677
tors. eta vs tors. theta energy: -21.389
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: 9, replica: 7
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -527.939574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.939574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.939574 (E_RNA)
where:
Base-Base interactions energy: -310.643
where: short stacking energy: -155.128
Base-Backbone interact. energy: -2.787
local terms energy: -214.509068
where:
bonds (distance) C4'-P energy: -45.356
bonds (distance) P-C4' energy: -62.608
flat angles C4'-P-C4' energy: -44.386
flat angles P-C4'-P energy: -29.143
tors. eta vs tors. theta energy: -33.017
Dist. restrs. and SS energy: 0.000 (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: 127
Temperature: 1.350000
Total energy: -361.404059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.404059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.404059 (E_RNA)
where:
Base-Base interactions energy: -195.503
where: short stacking energy: -108.810
Base-Backbone interact. energy: 0.521
local terms energy: -166.421899
where:
bonds (distance) C4'-P energy: -55.512
bonds (distance) P-C4' energy: -55.882
flat angles C4'-P-C4' energy: -42.258
flat angles P-C4'-P energy: -15.578
tors. eta vs tors. theta energy: 2.808
Dist. restrs. and SS energy: 0.000 (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: 128
Temperature: 0.900000
Total energy: -1025.186014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.186014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.186014 (E_RNA)
where:
Base-Base interactions energy: -716.266
where: short stacking energy: -301.886
Base-Backbone interact. energy: -1.031
local terms energy: -307.889039
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -61.967
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -88.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1023.399855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.399855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.399855 (E_RNA)
where:
Base-Base interactions energy: -702.243
where: short stacking energy: -305.508
Base-Backbone interact. energy: -0.681
local terms energy: -320.475669
where:
bonds (distance) C4'-P energy: -60.210
bonds (distance) P-C4' energy: -65.634
flat angles C4'-P-C4' energy: -70.880
flat angles P-C4'-P energy: -39.407
tors. eta vs tors. theta energy: -84.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -974.443394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.443394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.443394 (E_RNA)
where:
Base-Base interactions energy: -662.507
where: short stacking energy: -289.372
Base-Backbone interact. energy: -0.403
local terms energy: -311.533168
where:
bonds (distance) C4'-P energy: -61.816
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -41.122
tors. eta vs tors. theta energy: -89.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -949.477429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.477429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.477429 (E_RNA)
where:
Base-Base interactions energy: -662.384
where: short stacking energy: -255.629
Base-Backbone interact. energy: -1.391
local terms energy: -285.701758
where:
bonds (distance) C4'-P energy: -48.988
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -69.888
flat angles P-C4'-P energy: -39.586
tors. eta vs tors. theta energy: -77.002
Dist. restrs. and SS energy: 0.000 (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: 128
Temperature: 1.100000
Total energy: -909.367609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.367609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.367609 (E_RNA)
where:
Base-Base interactions energy: -605.477
where: short stacking energy: -276.188
Base-Backbone interact. energy: -0.710
local terms energy: -303.181037
where:
bonds (distance) C4'-P energy: -45.495
bonds (distance) P-C4' energy: -61.146
flat angles C4'-P-C4' energy: -65.630
flat angles P-C4'-P energy: -53.624
tors. eta vs tors. theta energy: -77.286
Dist. restrs. and SS energy: 0.000 (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: 128
Temperature: 1.150000
Total energy: -771.209998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.209998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.209998 (E_RNA)
where:
Base-Base interactions energy: -504.859
where: short stacking energy: -238.761
Base-Backbone interact. energy: -1.916
local terms energy: -264.434471
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -58.462
flat angles C4'-P-C4' energy: -45.818
flat angles P-C4'-P energy: -33.575
tors. eta vs tors. theta energy: -65.728
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: 7, replica: 6
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -675.794396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.794396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.794396 (E_RNA)
where:
Base-Base interactions energy: -443.363
where: short stacking energy: -211.475
Base-Backbone interact. energy: -1.201
local terms energy: -231.230585
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -47.155
flat angles C4'-P-C4' energy: -58.051
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -46.517
Dist. restrs. and SS energy: 0.000 (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: 128
Temperature: 1.250000
Total energy: -544.696583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.696583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.696583 (E_RNA)
where:
Base-Base interactions energy: -336.913
where: short stacking energy: -165.356
Base-Backbone interact. energy: -1.137
local terms energy: -206.647064
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -40.055
flat angles C4'-P-C4' energy: -50.697
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -31.786
Dist. restrs. and SS energy: 0.000 (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: 128
Temperature: 1.300000
Total energy: -517.396341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.396341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.396341 (E_RNA)
where:
Base-Base interactions energy: -319.796
where: short stacking energy: -152.006
Base-Backbone interact. energy: 0.318
local terms energy: -197.919236
where:
bonds (distance) C4'-P energy: -47.530
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -45.369
flat angles P-C4'-P energy: -23.832
tors. eta vs tors. theta energy: -24.727
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: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -350.915218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.915218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.915218 (E_RNA)
where:
Base-Base interactions energy: -186.710
where: short stacking energy: -107.594
Base-Backbone interact. energy: 5.862
local terms energy: -170.067000
where:
bonds (distance) C4'-P energy: -39.350
bonds (distance) P-C4' energy: -51.529
flat angles C4'-P-C4' energy: -42.745
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (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: 129
Temperature: 0.900000
Total energy: -1024.038175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.038175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.038175 (E_RNA)
where:
Base-Base interactions energy: -716.508
where: short stacking energy: -304.988
Base-Backbone interact. energy: -0.049
local terms energy: -307.480668
where:
bonds (distance) C4'-P energy: -61.602
bonds (distance) P-C4' energy: -55.136
flat angles C4'-P-C4' energy: -64.245
flat angles P-C4'-P energy: -44.522
tors. eta vs tors. theta energy: -81.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1048.897474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.897474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.897474 (E_RNA)
where:
Base-Base interactions energy: -731.535
where: short stacking energy: -314.918
Base-Backbone interact. energy: -0.381
local terms energy: -316.981237
where:
bonds (distance) C4'-P energy: -57.095
bonds (distance) P-C4' energy: -55.908
flat angles C4'-P-C4' energy: -64.837
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -94.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -967.747591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.747591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.747591 (E_RNA)
where:
Base-Base interactions energy: -657.410
where: short stacking energy: -279.834
Base-Backbone interact. energy: -1.375
local terms energy: -308.962766
where:
bonds (distance) C4'-P energy: -58.712
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -68.668
flat angles P-C4'-P energy: -45.815
tors. eta vs tors. theta energy: -84.090
Dist. restrs. and SS energy: 0.000 (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: 129
Temperature: 1.050000
Total energy: -960.359280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.359280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.359280 (E_RNA)
where:
Base-Base interactions energy: -683.864
where: short stacking energy: -278.669
Base-Backbone interact. energy: -1.726
local terms energy: -274.769272
where:
bonds (distance) C4'-P energy: -59.969
bonds (distance) P-C4' energy: -47.776
flat angles C4'-P-C4' energy: -57.467
flat angles P-C4'-P energy: -34.553
tors. eta vs tors. theta energy: -75.003
Dist. restrs. and SS energy: 0.000 (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: 129
Temperature: 1.100000
Total energy: -858.876942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.876942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.876942 (E_RNA)
where:
Base-Base interactions energy: -570.180
where: short stacking energy: -260.636
Base-Backbone interact. energy: -1.006
local terms energy: -287.690580
where:
bonds (distance) C4'-P energy: -49.195
bonds (distance) P-C4' energy: -52.625
flat angles C4'-P-C4' energy: -66.180
flat angles P-C4'-P energy: -40.124
tors. eta vs tors. theta energy: -79.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -786.474476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.474476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.474476 (E_RNA)
where:
Base-Base interactions energy: -512.066
where: short stacking energy: -239.331
Base-Backbone interact. energy: -1.745
local terms energy: -272.663417
where:
bonds (distance) C4'-P energy: -57.442
bonds (distance) P-C4' energy: -63.249
flat angles C4'-P-C4' energy: -54.717
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -61.231
Dist. restrs. and SS energy: 0.000 (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: 129
Temperature: 1.200000
Total energy: -639.581326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.581326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.581326 (E_RNA)
where:
Base-Base interactions energy: -405.677
where: short stacking energy: -197.749
Base-Backbone interact. energy: 0.856
local terms energy: -234.760535
where:
bonds (distance) C4'-P energy: -59.798
bonds (distance) P-C4' energy: -44.763
flat angles C4'-P-C4' energy: -56.039
flat angles P-C4'-P energy: -32.637
tors. eta vs tors. theta energy: -41.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -583.472146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.472146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.472146 (E_RNA)
where:
Base-Base interactions energy: -362.516
where: short stacking energy: -194.247
Base-Backbone interact. energy: -0.464
local terms energy: -220.491932
where:
bonds (distance) C4'-P energy: -51.555
bonds (distance) P-C4' energy: -45.212
flat angles C4'-P-C4' energy: -47.059
flat angles P-C4'-P energy: -41.147
tors. eta vs tors. theta energy: -35.518
Dist. restrs. and SS energy: 0.000 (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: 129
Temperature: 1.300000
Total energy: -507.264769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.264769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.264769 (E_RNA)
where:
Base-Base interactions energy: -307.555
where: short stacking energy: -162.563
Base-Backbone interact. energy: 0.467
local terms energy: -200.176819
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -38.499
flat angles P-C4'-P energy: -36.736
tors. eta vs tors. theta energy: -27.738
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: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -378.784300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.784300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.784300 (E_RNA)
where:
Base-Base interactions energy: -168.675
where: short stacking energy: -103.748
Base-Backbone interact. energy: 0.819
local terms energy: -210.927734
where:
bonds (distance) C4'-P energy: -56.132
bonds (distance) P-C4' energy: -57.043
flat angles C4'-P-C4' energy: -45.635
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1046.333790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.333790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.333790 (E_RNA)
where:
Base-Base interactions energy: -727.578
where: short stacking energy: -308.546
Base-Backbone interact. energy: -0.357
local terms energy: -318.399670
where:
bonds (distance) C4'-P energy: -60.660
bonds (distance) P-C4' energy: -58.470
flat angles C4'-P-C4' energy: -67.383
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -88.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1015.144642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.144642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.144642 (E_RNA)
where:
Base-Base interactions energy: -704.079
where: short stacking energy: -285.758
Base-Backbone interact. energy: -2.290
local terms energy: -308.775680
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -65.088
flat angles C4'-P-C4' energy: -59.824
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -77.768
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: 3, replica: 8
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -980.928604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.928604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.928604 (E_RNA)
where:
Base-Base interactions energy: -654.250
where: short stacking energy: -277.748
Base-Backbone interact. energy: -0.732
local terms energy: -325.945901
where:
bonds (distance) C4'-P energy: -70.643
bonds (distance) P-C4' energy: -61.681
flat angles C4'-P-C4' energy: -65.648
flat angles P-C4'-P energy: -49.211
tors. eta vs tors. theta energy: -78.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -972.592529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.592529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.592529 (E_RNA)
where:
Base-Base interactions energy: -668.902
where: short stacking energy: -291.721
Base-Backbone interact. energy: -0.754
local terms energy: -302.936896
where:
bonds (distance) C4'-P energy: -62.258
bonds (distance) P-C4' energy: -62.448
flat angles C4'-P-C4' energy: -64.280
flat angles P-C4'-P energy: -31.983
tors. eta vs tors. theta energy: -81.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -877.631999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.631999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.631999 (E_RNA)
where:
Base-Base interactions energy: -589.594
where: short stacking energy: -285.427
Base-Backbone interact. energy: -1.671
local terms energy: -286.367261
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -58.870
flat angles C4'-P-C4' energy: -57.174
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -77.089
Dist. restrs. and SS energy: 0.000 (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: 130
Temperature: 1.150000
Total energy: -794.066593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.066593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.066593 (E_RNA)
where:
Base-Base interactions energy: -515.619
where: short stacking energy: -236.217
Base-Backbone interact. energy: -0.745
local terms energy: -277.701975
where:
bonds (distance) C4'-P energy: -50.205
bonds (distance) P-C4' energy: -60.269
flat angles C4'-P-C4' energy: -51.945
flat angles P-C4'-P energy: -51.648
tors. eta vs tors. theta energy: -63.635
Dist. restrs. and SS energy: 0.000 (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: 130
Temperature: 1.200000
Total energy: -659.102068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.102068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.102068 (E_RNA)
where:
Base-Base interactions energy: -433.456
where: short stacking energy: -173.009
Base-Backbone interact. energy: 0.042
local terms energy: -225.687991
where:
bonds (distance) C4'-P energy: -44.632
bonds (distance) P-C4' energy: -50.613
flat angles C4'-P-C4' energy: -53.493
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -40.023
Dist. restrs. and SS energy: 0.000 (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: 130
Temperature: 1.250000
Total energy: -561.181772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.181772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.181772 (E_RNA)
where:
Base-Base interactions energy: -349.690
where: short stacking energy: -166.375
Base-Backbone interact. energy: 6.361
local terms energy: -217.853243
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -45.962
flat angles C4'-P-C4' energy: -51.599
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -25.610
Dist. restrs. and SS energy: 0.000 (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: 130
Temperature: 1.300000
Total energy: -497.487854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.487854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.487854 (E_RNA)
where:
Base-Base interactions energy: -288.662
where: short stacking energy: -154.389
Base-Backbone interact. energy: -0.650
local terms energy: -208.175792
where:
bonds (distance) C4'-P energy: -53.225
bonds (distance) P-C4' energy: -53.964
flat angles C4'-P-C4' energy: -52.253
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: -18.290
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: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -360.627248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.627248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.627248 (E_RNA)
where:
Base-Base interactions energy: -177.359
where: short stacking energy: -91.810
Base-Backbone interact. energy: -1.181
local terms energy: -182.087371
where:
bonds (distance) C4'-P energy: -58.970
bonds (distance) P-C4' energy: -53.981
flat angles C4'-P-C4' energy: -42.803
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -6.643
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: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1043.571949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.571949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.571949 (E_RNA)
where:
Base-Base interactions energy: -698.990
where: short stacking energy: -294.140
Base-Backbone interact. energy: -3.414
local terms energy: -341.167709
where:
bonds (distance) C4'-P energy: -66.025
bonds (distance) P-C4' energy: -65.489
flat angles C4'-P-C4' energy: -73.792
flat angles P-C4'-P energy: -44.540
tors. eta vs tors. theta energy: -91.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1024.895016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.895016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.895016 (E_RNA)
where:
Base-Base interactions energy: -701.264
where: short stacking energy: -303.616
Base-Backbone interact. energy: -0.638
local terms energy: -322.992841
where:
bonds (distance) C4'-P energy: -55.112
bonds (distance) P-C4' energy: -58.035
flat angles C4'-P-C4' energy: -67.749
flat angles P-C4'-P energy: -52.215
tors. eta vs tors. theta energy: -89.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1002.370343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.370343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.370343 (E_RNA)
where:
Base-Base interactions energy: -706.172
where: short stacking energy: -299.841
Base-Backbone interact. energy: 0.285
local terms energy: -296.482745
where:
bonds (distance) C4'-P energy: -58.865
bonds (distance) P-C4' energy: -50.580
flat angles C4'-P-C4' energy: -66.426
flat angles P-C4'-P energy: -44.578
tors. eta vs tors. theta energy: -76.034
Dist. restrs. and SS energy: 0.000 (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: 131
Temperature: 1.050000
Total energy: -896.668699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.668699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.668699 (E_RNA)
where:
Base-Base interactions energy: -604.580
where: short stacking energy: -284.417
Base-Backbone interact. energy: -2.532
local terms energy: -289.556437
where:
bonds (distance) C4'-P energy: -46.426
bonds (distance) P-C4' energy: -58.392
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -37.146
tors. eta vs tors. theta energy: -87.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -959.176626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.176626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.176626 (E_RNA)
where:
Base-Base interactions energy: -659.533
where: short stacking energy: -289.213
Base-Backbone interact. energy: -0.844
local terms energy: -298.799330
where:
bonds (distance) C4'-P energy: -58.597
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -70.076
flat angles P-C4'-P energy: -45.203
tors. eta vs tors. theta energy: -79.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -796.554564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.554564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.554564 (E_RNA)
where:
Base-Base interactions energy: -527.717
where: short stacking energy: -240.425
Base-Backbone interact. energy: -1.612
local terms energy: -267.225141
where:
bonds (distance) C4'-P energy: -61.729
bonds (distance) P-C4' energy: -46.320
flat angles C4'-P-C4' energy: -60.299
flat angles P-C4'-P energy: -34.514
tors. eta vs tors. theta energy: -64.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -688.063892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.063892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.063892 (E_RNA)
where:
Base-Base interactions energy: -445.699
where: short stacking energy: -204.855
Base-Backbone interact. energy: 3.468
local terms energy: -245.832634
where:
bonds (distance) C4'-P energy: -40.407
bonds (distance) P-C4' energy: -55.660
flat angles C4'-P-C4' energy: -65.983
flat angles P-C4'-P energy: -42.819
tors. eta vs tors. theta energy: -40.963
Dist. restrs. and SS energy: 0.000 (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: 131
Temperature: 1.250000
Total energy: -560.011260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.011260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.011260 (E_RNA)
where:
Base-Base interactions energy: -339.620
where: short stacking energy: -172.164
Base-Backbone interact. energy: -1.944
local terms energy: -218.447513
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -47.527
flat angles C4'-P-C4' energy: -50.418
flat angles P-C4'-P energy: -41.691
tors. eta vs tors. theta energy: -38.057
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: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -479.263165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.263165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.263165 (E_RNA)
where:
Base-Base interactions energy: -281.227
where: short stacking energy: -128.291
Base-Backbone interact. energy: -0.679
local terms energy: -197.356749
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -48.962
flat angles C4'-P-C4' energy: -48.165
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -21.104
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: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -339.552431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.552431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.552431 (E_RNA)
where:
Base-Base interactions energy: -160.487
where: short stacking energy: -103.277
Base-Backbone interact. energy: -0.307
local terms energy: -178.758436
where:
bonds (distance) C4'-P energy: -42.008
bonds (distance) P-C4' energy: -49.420
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1054.767091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.767091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.767091 (E_RNA)
where:
Base-Base interactions energy: -720.599
where: short stacking energy: -308.702
Base-Backbone interact. energy: 0.547
local terms energy: -334.715444
where:
bonds (distance) C4'-P energy: -61.238
bonds (distance) P-C4' energy: -64.988
flat angles C4'-P-C4' energy: -67.514
flat angles P-C4'-P energy: -52.431
tors. eta vs tors. theta energy: -88.544
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: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1019.960047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.960047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.960047 (E_RNA)
where:
Base-Base interactions energy: -694.181
where: short stacking energy: -311.477
Base-Backbone interact. energy: 0.327
local terms energy: -326.106547
where:
bonds (distance) C4'-P energy: -57.675
bonds (distance) P-C4' energy: -61.061
flat angles C4'-P-C4' energy: -70.381
flat angles P-C4'-P energy: -48.268
tors. eta vs tors. theta energy: -88.722
Dist. restrs. and SS energy: 0.000 (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: 132
Temperature: 1.000000
Total energy: -994.765468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.765468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.765468 (E_RNA)
where:
Base-Base interactions energy: -705.425
where: short stacking energy: -310.829
Base-Backbone interact. energy: -0.160
local terms energy: -289.180679
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -57.236
flat angles C4'-P-C4' energy: -58.418
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -84.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -892.467019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.467019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.467019 (E_RNA)
where:
Base-Base interactions energy: -610.072
where: short stacking energy: -275.859
Base-Backbone interact. energy: -1.065
local terms energy: -281.330280
where:
bonds (distance) C4'-P energy: -41.192
bonds (distance) P-C4' energy: -46.371
flat angles C4'-P-C4' energy: -63.180
flat angles P-C4'-P energy: -44.174
tors. eta vs tors. theta energy: -86.413
Dist. restrs. and SS energy: 0.000 (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: 132
Temperature: 1.100000
Total energy: -958.691650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.691650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.691650 (E_RNA)
where:
Base-Base interactions energy: -666.800
where: short stacking energy: -270.833
Base-Backbone interact. energy: -0.779
local terms energy: -291.113343
where:
bonds (distance) C4'-P energy: -55.629
bonds (distance) P-C4' energy: -50.883
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -37.413
tors. eta vs tors. theta energy: -84.951
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: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -775.382746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.382746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.382746 (E_RNA)
where:
Base-Base interactions energy: -508.374
where: short stacking energy: -244.086
Base-Backbone interact. energy: -1.882
local terms energy: -265.126643
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -56.483
flat angles C4'-P-C4' energy: -58.273
flat angles P-C4'-P energy: -35.985
tors. eta vs tors. theta energy: -58.203
Dist. restrs. and SS energy: 0.000 (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: 132
Temperature: 1.200000
Total energy: -642.074389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.074389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.074389 (E_RNA)
where:
Base-Base interactions energy: -425.722
where: short stacking energy: -177.590
Base-Backbone interact. energy: -1.525
local terms energy: -214.826844
where:
bonds (distance) C4'-P energy: -40.053
bonds (distance) P-C4' energy: -52.523
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -32.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -553.113586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.113586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.113586 (E_RNA)
where:
Base-Base interactions energy: -321.166
where: short stacking energy: -156.929
Base-Backbone interact. energy: 0.720
local terms energy: -232.667940
where:
bonds (distance) C4'-P energy: -69.798
bonds (distance) P-C4' energy: -48.941
flat angles C4'-P-C4' energy: -58.098
flat angles P-C4'-P energy: -26.268
tors. eta vs tors. theta energy: -29.563
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: 9, replica: 7
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -493.945025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.945025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.945025 (E_RNA)
where:
Base-Base interactions energy: -280.148
where: short stacking energy: -130.647
Base-Backbone interact. energy: -0.545
local terms energy: -213.251741
where:
bonds (distance) C4'-P energy: -50.675
bonds (distance) P-C4' energy: -55.138
flat angles C4'-P-C4' energy: -41.997
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -24.838
Dist. restrs. and SS energy: 0.000 (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: 132
Temperature: 1.350000
Total energy: -318.552252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.552252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.552252 (E_RNA)
where:
Base-Base interactions energy: -155.327
where: short stacking energy: -91.501
Base-Backbone interact. energy: 1.202
local terms energy: -164.427106
where:
bonds (distance) C4'-P energy: -48.367
bonds (distance) P-C4' energy: -45.862
flat angles C4'-P-C4' energy: -48.074
flat angles P-C4'-P energy: -25.022
tors. eta vs tors. theta energy: 2.898
Dist. restrs. and SS energy: 0.000 (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: 133
Temperature: 0.900000
Total energy: -1069.031015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.031015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.031015 (E_RNA)
where:
Base-Base interactions energy: -741.995
where: short stacking energy: -317.276
Base-Backbone interact. energy: 0.041
local terms energy: -327.076578
where:
bonds (distance) C4'-P energy: -58.004
bonds (distance) P-C4' energy: -60.008
flat angles C4'-P-C4' energy: -71.690
flat angles P-C4'-P energy: -46.232
tors. eta vs tors. theta energy: -91.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -996.067820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.067820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.067820 (E_RNA)
where:
Base-Base interactions energy: -691.282
where: short stacking energy: -298.301
Base-Backbone interact. energy: -0.567
local terms energy: -304.218840
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -63.211
flat angles C4'-P-C4' energy: -62.160
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -82.515
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: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -982.821237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.821237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.821237 (E_RNA)
where:
Base-Base interactions energy: -676.049
where: short stacking energy: -282.026
Base-Backbone interact. energy: 3.072
local terms energy: -309.844201
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -59.553
flat angles C4'-P-C4' energy: -71.229
flat angles P-C4'-P energy: -44.872
tors. eta vs tors. theta energy: -78.585
Dist. restrs. and SS energy: 0.000 (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: 133
Temperature: 1.050000
Total energy: -1008.138609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.138609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.138609 (E_RNA)
where:
Base-Base interactions energy: -692.165
where: short stacking energy: -303.267
Base-Backbone interact. energy: 2.369
local terms energy: -318.343124
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -62.757
flat angles C4'-P-C4' energy: -63.876
flat angles P-C4'-P energy: -47.716
tors. eta vs tors. theta energy: -90.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -874.297726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.297726 (E_RNA)
where:
Base-Base interactions energy: -585.843
where: short stacking energy: -268.071
Base-Backbone interact. energy: -0.851
local terms energy: -287.604483
where:
bonds (distance) C4'-P energy: -51.344
bonds (distance) P-C4' energy: -42.055
flat angles C4'-P-C4' energy: -61.288
flat angles P-C4'-P energy: -42.107
tors. eta vs tors. theta energy: -90.810
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: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -733.592479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.592479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.592479 (E_RNA)
where:
Base-Base interactions energy: -496.321
where: short stacking energy: -225.528
Base-Backbone interact. energy: -1.262
local terms energy: -236.010331
where:
bonds (distance) C4'-P energy: -34.172
bonds (distance) P-C4' energy: -56.035
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -37.722
tors. eta vs tors. theta energy: -47.005
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: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -672.853195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.853195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.853195 (E_RNA)
where:
Base-Base interactions energy: -427.651
where: short stacking energy: -194.327
Base-Backbone interact. energy: 0.542
local terms energy: -245.743923
where:
bonds (distance) C4'-P energy: -56.785
bonds (distance) P-C4' energy: -56.060
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -34.204
tors. eta vs tors. theta energy: -57.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -556.626631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.626631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.626631 (E_RNA)
where:
Base-Base interactions energy: -344.831
where: short stacking energy: -159.623
Base-Backbone interact. energy: -2.472
local terms energy: -209.323078
where:
bonds (distance) C4'-P energy: -55.745
bonds (distance) P-C4' energy: -57.365
flat angles C4'-P-C4' energy: -48.577
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -36.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -510.290386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.290386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.290386 (E_RNA)
where:
Base-Base interactions energy: -303.850
where: short stacking energy: -152.581
Base-Backbone interact. energy: 0.747
local terms energy: -207.186850
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -53.305
flat angles C4'-P-C4' energy: -43.641
flat angles P-C4'-P energy: -34.386
tors. eta vs tors. theta energy: -25.104
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: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -355.854787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.854787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.854787 (E_RNA)
where:
Base-Base interactions energy: -182.637
where: short stacking energy: -116.886
Base-Backbone interact. energy: -0.919
local terms energy: -172.298853
where:
bonds (distance) C4'-P energy: -43.417
bonds (distance) P-C4' energy: -51.713
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -8.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1088.474514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.474514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.474514 (E_RNA)
where:
Base-Base interactions energy: -758.391
where: short stacking energy: -316.973
Base-Backbone interact. energy: -0.172
local terms energy: -329.911061
where:
bonds (distance) C4'-P energy: -62.668
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -70.643
flat angles P-C4'-P energy: -45.439
tors. eta vs tors. theta energy: -94.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1022.510838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.510838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.510838 (E_RNA)
where:
Base-Base interactions energy: -702.983
where: short stacking energy: -306.394
Base-Backbone interact. energy: -1.112
local terms energy: -318.416481
where:
bonds (distance) C4'-P energy: -62.312
bonds (distance) P-C4' energy: -59.817
flat angles C4'-P-C4' energy: -65.989
flat angles P-C4'-P energy: -42.153
tors. eta vs tors. theta energy: -88.144
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: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1034.777545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.777545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.777545 (E_RNA)
where:
Base-Base interactions energy: -714.332
where: short stacking energy: -313.049
Base-Backbone interact. energy: -0.645
local terms energy: -319.801028
where:
bonds (distance) C4'-P energy: -58.270
bonds (distance) P-C4' energy: -58.303
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -96.284
Dist. restrs. and SS energy: 0.000 (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: 134
Temperature: 1.050000
Total energy: -955.483902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.483902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.483902 (E_RNA)
where:
Base-Base interactions energy: -660.208
where: short stacking energy: -277.534
Base-Backbone interact. energy: 1.623
local terms energy: -296.899481
where:
bonds (distance) C4'-P energy: -55.301
bonds (distance) P-C4' energy: -49.928
flat angles C4'-P-C4' energy: -66.245
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -75.371
Dist. restrs. and SS energy: 0.000 (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: 134
Temperature: 1.100000
Total energy: -854.686344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.686344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.686344 (E_RNA)
where:
Base-Base interactions energy: -581.324
where: short stacking energy: -252.036
Base-Backbone interact. energy: 0.901
local terms energy: -274.263237
where:
bonds (distance) C4'-P energy: -51.757
bonds (distance) P-C4' energy: -55.669
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -37.295
tors. eta vs tors. theta energy: -71.571
Dist. restrs. and SS energy: 0.000 (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: 134
Temperature: 1.150000
Total energy: -742.342958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.342958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.342958 (E_RNA)
where:
Base-Base interactions energy: -490.780
where: short stacking energy: -212.512
Base-Backbone interact. energy: -2.273
local terms energy: -249.289927
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -54.644
flat angles C4'-P-C4' energy: -52.527
flat angles P-C4'-P energy: -39.496
tors. eta vs tors. theta energy: -56.413
Dist. restrs. and SS energy: 0.000 (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: 134
Temperature: 1.200000
Total energy: -670.158034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.158034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.158034 (E_RNA)
where:
Base-Base interactions energy: -436.272
where: short stacking energy: -201.131
Base-Backbone interact. energy: -1.236
local terms energy: -232.649998
where:
bonds (distance) C4'-P energy: -44.273
bonds (distance) P-C4' energy: -60.010
flat angles C4'-P-C4' energy: -51.918
flat angles P-C4'-P energy: -36.218
tors. eta vs tors. theta energy: -40.232
Dist. restrs. and SS energy: 0.000 (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: 134
Temperature: 1.250000
Total energy: -511.989692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.989692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.989692 (E_RNA)
where:
Base-Base interactions energy: -304.811
where: short stacking energy: -150.346
Base-Backbone interact. energy: -1.978
local terms energy: -205.200685
where:
bonds (distance) C4'-P energy: -45.637
bonds (distance) P-C4' energy: -59.246
flat angles C4'-P-C4' energy: -50.720
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -17.568
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: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -521.527906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.527906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.527906 (E_RNA)
where:
Base-Base interactions energy: -307.241
where: short stacking energy: -143.741
Base-Backbone interact. energy: -1.762
local terms energy: -212.525045
where:
bonds (distance) C4'-P energy: -50.061
bonds (distance) P-C4' energy: -53.765
flat angles C4'-P-C4' energy: -53.223
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -29.618
Dist. restrs. and SS energy: 0.000 (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: 134
Temperature: 1.350000
Total energy: -331.191865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.191865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.191865 (E_RNA)
where:
Base-Base interactions energy: -166.542
where: short stacking energy: -96.696
Base-Backbone interact. energy: 1.114
local terms energy: -165.763983
where:
bonds (distance) C4'-P energy: -50.064
bonds (distance) P-C4' energy: -53.043
flat angles C4'-P-C4' energy: -48.759
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -0.390
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: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1051.907900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.907900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.907900 (E_RNA)
where:
Base-Base interactions energy: -719.651
where: short stacking energy: -307.348
Base-Backbone interact. energy: 1.098
local terms energy: -333.354443
where:
bonds (distance) C4'-P energy: -66.562
bonds (distance) P-C4' energy: -59.303
flat angles C4'-P-C4' energy: -70.134
flat angles P-C4'-P energy: -46.172
tors. eta vs tors. theta energy: -91.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1033.195631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.195631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.195631 (E_RNA)
where:
Base-Base interactions energy: -697.269
where: short stacking energy: -311.072
Base-Backbone interact. energy: -2.640
local terms energy: -333.286323
where:
bonds (distance) C4'-P energy: -58.332
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -69.545
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -93.328
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: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1000.157721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.157721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.157721 (E_RNA)
where:
Base-Base interactions energy: -685.292
where: short stacking energy: -307.065
Base-Backbone interact. energy: -0.377
local terms energy: -314.487944
where:
bonds (distance) C4'-P energy: -53.428
bonds (distance) P-C4' energy: -56.471
flat angles C4'-P-C4' energy: -72.492
flat angles P-C4'-P energy: -42.768
tors. eta vs tors. theta energy: -89.329
Dist. restrs. and SS energy: 0.000 (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: 135
Temperature: 1.050000
Total energy: -958.499794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.499794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.499794 (E_RNA)
where:
Base-Base interactions energy: -656.196
where: short stacking energy: -279.955
Base-Backbone interact. energy: -1.509
local terms energy: -300.794137
where:
bonds (distance) C4'-P energy: -62.786
bonds (distance) P-C4' energy: -53.607
flat angles C4'-P-C4' energy: -62.527
flat angles P-C4'-P energy: -48.504
tors. eta vs tors. theta energy: -73.371
Dist. restrs. and SS energy: 0.000 (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: 135
Temperature: 1.100000
Total energy: -845.768971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.768971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.768971 (E_RNA)
where:
Base-Base interactions energy: -576.200
where: short stacking energy: -248.498
Base-Backbone interact. energy: -0.689
local terms energy: -268.880075
where:
bonds (distance) C4'-P energy: -53.715
bonds (distance) P-C4' energy: -55.073
flat angles C4'-P-C4' energy: -53.128
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: -72.310
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: 6, replica: 6
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -697.083042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.083042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.083042 (E_RNA)
where:
Base-Base interactions energy: -450.383
where: short stacking energy: -217.616
Base-Backbone interact. energy: -1.233
local terms energy: -245.467148
where:
bonds (distance) C4'-P energy: -56.073
bonds (distance) P-C4' energy: -51.655
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -40.029
tors. eta vs tors. theta energy: -43.876
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: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -735.962140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.962140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.962140 (E_RNA)
where:
Base-Base interactions energy: -506.354
where: short stacking energy: -220.025
Base-Backbone interact. energy: 1.016
local terms energy: -230.624534
where:
bonds (distance) C4'-P energy: -45.301
bonds (distance) P-C4' energy: -37.989
flat angles C4'-P-C4' energy: -57.040
flat angles P-C4'-P energy: -40.194
tors. eta vs tors. theta energy: -50.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -524.388841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.388841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.388841 (E_RNA)
where:
Base-Base interactions energy: -301.611
where: short stacking energy: -169.654
Base-Backbone interact. energy: -1.445
local terms energy: -221.332340
where:
bonds (distance) C4'-P energy: -62.264
bonds (distance) P-C4' energy: -47.250
flat angles C4'-P-C4' energy: -46.067
flat angles P-C4'-P energy: -31.487
tors. eta vs tors. theta energy: -34.264
Dist. restrs. and SS energy: 0.000 (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: 135
Temperature: 1.300000
Total energy: -546.539480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.539480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.539480 (E_RNA)
where:
Base-Base interactions energy: -323.568
where: short stacking energy: -149.253
Base-Backbone interact. energy: 0.782
local terms energy: -223.753452
where:
bonds (distance) C4'-P energy: -54.138
bonds (distance) P-C4' energy: -50.111
flat angles C4'-P-C4' energy: -47.641
flat angles P-C4'-P energy: -40.807
tors. eta vs tors. theta energy: -31.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -332.880095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.880095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.880095 (E_RNA)
where:
Base-Base interactions energy: -170.491
where: short stacking energy: -99.405
Base-Backbone interact. energy: -0.886
local terms energy: -161.502935
where:
bonds (distance) C4'-P energy: -38.054
bonds (distance) P-C4' energy: -45.044
flat angles C4'-P-C4' energy: -45.749
flat angles P-C4'-P energy: -23.880
tors. eta vs tors. theta energy: -8.776
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: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1058.418537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.418537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.418537 (E_RNA)
where:
Base-Base interactions energy: -718.699
where: short stacking energy: -307.611
Base-Backbone interact. energy: 0.069
local terms energy: -339.788465
where:
bonds (distance) C4'-P energy: -56.426
bonds (distance) P-C4' energy: -66.313
flat angles C4'-P-C4' energy: -73.792
flat angles P-C4'-P energy: -49.395
tors. eta vs tors. theta energy: -93.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1000.889865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.889865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.889865 (E_RNA)
where:
Base-Base interactions energy: -685.066
where: short stacking energy: -297.834
Base-Backbone interact. energy: -0.049
local terms energy: -315.774847
where:
bonds (distance) C4'-P energy: -57.760
bonds (distance) P-C4' energy: -59.253
flat angles C4'-P-C4' energy: -63.900
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -87.286
Dist. restrs. and SS energy: 0.000 (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: 136
Temperature: 1.000000
Total energy: -1006.017415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.017415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.017415 (E_RNA)
where:
Base-Base interactions energy: -706.974
where: short stacking energy: -284.609
Base-Backbone interact. energy: -0.762
local terms energy: -298.281519
where:
bonds (distance) C4'-P energy: -49.571
bonds (distance) P-C4' energy: -57.484
flat angles C4'-P-C4' energy: -64.603
flat angles P-C4'-P energy: -41.337
tors. eta vs tors. theta energy: -85.287
Dist. restrs. and SS energy: 0.000 (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: 136
Temperature: 1.050000
Total energy: -956.037857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.037857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.037857 (E_RNA)
where:
Base-Base interactions energy: -658.236
where: short stacking energy: -270.260
Base-Backbone interact. energy: -2.599
local terms energy: -295.202422
where:
bonds (distance) C4'-P energy: -58.538
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -60.975
flat angles P-C4'-P energy: -41.477
tors. eta vs tors. theta energy: -74.184
Dist. restrs. and SS energy: 0.000 (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: 136
Temperature: 1.100000
Total energy: -882.149981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.149981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.149981 (E_RNA)
where:
Base-Base interactions energy: -591.476
where: short stacking energy: -259.772
Base-Backbone interact. energy: -0.134
local terms energy: -290.539494
where:
bonds (distance) C4'-P energy: -56.437
bonds (distance) P-C4' energy: -60.476
flat angles C4'-P-C4' energy: -48.126
flat angles P-C4'-P energy: -45.835
tors. eta vs tors. theta energy: -79.666
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: 6, replica: 6
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -692.005498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.005498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.005498 (E_RNA)
where:
Base-Base interactions energy: -446.092
where: short stacking energy: -194.375
Base-Backbone interact. energy: -2.631
local terms energy: -243.282739
where:
bonds (distance) C4'-P energy: -56.400
bonds (distance) P-C4' energy: -39.292
flat angles C4'-P-C4' energy: -56.888
flat angles P-C4'-P energy: -40.093
tors. eta vs tors. theta energy: -50.610
Dist. restrs. and SS energy: 0.000 (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: 136
Temperature: 1.200000
Total energy: -732.188609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.188609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.188609 (E_RNA)
where:
Base-Base interactions energy: -488.283
where: short stacking energy: -208.409
Base-Backbone interact. energy: -1.796
local terms energy: -242.109901
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -62.099
flat angles C4'-P-C4' energy: -47.467
flat angles P-C4'-P energy: -42.338
tors. eta vs tors. theta energy: -43.011
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: 8, replica: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -530.286147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.286147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.286147 (E_RNA)
where:
Base-Base interactions energy: -311.026
where: short stacking energy: -152.618
Base-Backbone interact. energy: -0.624
local terms energy: -218.635710
where:
bonds (distance) C4'-P energy: -53.587
bonds (distance) P-C4' energy: -51.149
flat angles C4'-P-C4' energy: -49.743
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -33.416
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: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -487.801515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.801515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.801515 (E_RNA)
where:
Base-Base interactions energy: -316.280
where: short stacking energy: -145.871
Base-Backbone interact. energy: 4.534
local terms energy: -176.054788
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -48.402
flat angles C4'-P-C4' energy: -46.578
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -23.629
Dist. restrs. and SS energy: 0.000 (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: 136
Temperature: 1.350000
Total energy: -360.702181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.702181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.702181 (E_RNA)
where:
Base-Base interactions energy: -168.953
where: short stacking energy: -105.709
Base-Backbone interact. energy: -1.388
local terms energy: -190.361298
where:
bonds (distance) C4'-P energy: -43.986
bonds (distance) P-C4' energy: -55.243
flat angles C4'-P-C4' energy: -52.721
flat angles P-C4'-P energy: -30.777
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1071.312810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.312810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.312810 (E_RNA)
where:
Base-Base interactions energy: -747.549
where: short stacking energy: -312.633
Base-Backbone interact. energy: -3.519
local terms energy: -320.244745
where:
bonds (distance) C4'-P energy: -60.039
bonds (distance) P-C4' energy: -56.970
flat angles C4'-P-C4' energy: -67.134
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: -91.128
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: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1008.586768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.586768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.586768 (E_RNA)
where:
Base-Base interactions energy: -682.761
where: short stacking energy: -297.726
Base-Backbone interact. energy: -0.463
local terms energy: -325.362853
where:
bonds (distance) C4'-P energy: -66.351
bonds (distance) P-C4' energy: -48.543
flat angles C4'-P-C4' energy: -63.515
flat angles P-C4'-P energy: -55.531
tors. eta vs tors. theta energy: -91.424
Dist. restrs. and SS energy: 0.000 (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: 137
Temperature: 1.000000
Total energy: -1031.673977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.673977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.673977 (E_RNA)
where:
Base-Base interactions energy: -705.724
where: short stacking energy: -312.593
Base-Backbone interact. energy: -0.665
local terms energy: -325.285299
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -57.564
flat angles C4'-P-C4' energy: -72.793
flat angles P-C4'-P energy: -48.400
tors. eta vs tors. theta energy: -94.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -941.535015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.535015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.535015 (E_RNA)
where:
Base-Base interactions energy: -659.150
where: short stacking energy: -276.119
Base-Backbone interact. energy: -0.076
local terms energy: -282.308737
where:
bonds (distance) C4'-P energy: -64.490
bonds (distance) P-C4' energy: -51.786
flat angles C4'-P-C4' energy: -56.493
flat angles P-C4'-P energy: -39.739
tors. eta vs tors. theta energy: -69.800
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: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -875.438749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.438749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.438749 (E_RNA)
where:
Base-Base interactions energy: -589.240
where: short stacking energy: -272.353
Base-Backbone interact. energy: -0.597
local terms energy: -285.601392
where:
bonds (distance) C4'-P energy: -57.940
bonds (distance) P-C4' energy: -54.943
flat angles C4'-P-C4' energy: -58.495
flat angles P-C4'-P energy: -33.056
tors. eta vs tors. theta energy: -81.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -743.695093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.695093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.695093 (E_RNA)
where:
Base-Base interactions energy: -488.632
where: short stacking energy: -211.953
Base-Backbone interact. energy: 0.696
local terms energy: -255.759544
where:
bonds (distance) C4'-P energy: -47.384
bonds (distance) P-C4' energy: -56.639
flat angles C4'-P-C4' energy: -61.332
flat angles P-C4'-P energy: -39.144
tors. eta vs tors. theta energy: -51.261
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: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -647.318744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.318744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.318744 (E_RNA)
where:
Base-Base interactions energy: -422.400
where: short stacking energy: -184.805
Base-Backbone interact. energy: 0.156
local terms energy: -225.074239
where:
bonds (distance) C4'-P energy: -51.798
bonds (distance) P-C4' energy: -54.291
flat angles C4'-P-C4' energy: -52.278
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: -37.000
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: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -557.509144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.509144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.509144 (E_RNA)
where:
Base-Base interactions energy: -337.153
where: short stacking energy: -184.515
Base-Backbone interact. energy: -1.494
local terms energy: -218.862756
where:
bonds (distance) C4'-P energy: -57.983
bonds (distance) P-C4' energy: -48.247
flat angles C4'-P-C4' energy: -36.350
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -47.885
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: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -498.090826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.090826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.090826 (E_RNA)
where:
Base-Base interactions energy: -291.564
where: short stacking energy: -145.954
Base-Backbone interact. energy: -1.527
local terms energy: -204.999332
where:
bonds (distance) C4'-P energy: -44.293
bonds (distance) P-C4' energy: -55.834
flat angles C4'-P-C4' energy: -51.121
flat angles P-C4'-P energy: -29.720
tors. eta vs tors. theta energy: -24.031
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: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -353.559121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.559121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.559121 (E_RNA)
where:
Base-Base interactions energy: -162.559
where: short stacking energy: -97.906
Base-Backbone interact. energy: 0.205
local terms energy: -191.204836
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -57.186
flat angles C4'-P-C4' energy: -53.963
flat angles P-C4'-P energy: -32.902
tors. eta vs tors. theta energy: 1.286
Dist. restrs. and SS energy: 0.000 (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: 138
Temperature: 0.900000
Total energy: -1042.026346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.026346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.026346 (E_RNA)
where:
Base-Base interactions energy: -713.349
where: short stacking energy: -329.011
Base-Backbone interact. energy: -0.919
local terms energy: -327.758995
where:
bonds (distance) C4'-P energy: -56.999
bonds (distance) P-C4' energy: -59.297
flat angles C4'-P-C4' energy: -72.393
flat angles P-C4'-P energy: -47.144
tors. eta vs tors. theta energy: -91.926
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: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -999.191572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.191572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.191572 (E_RNA)
where:
Base-Base interactions energy: -686.909
where: short stacking energy: -302.739
Base-Backbone interact. energy: -1.752
local terms energy: -310.530423
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -62.229
flat angles C4'-P-C4' energy: -63.793
flat angles P-C4'-P energy: -45.893
tors. eta vs tors. theta energy: -78.816
Dist. restrs. and SS energy: 0.000 (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: 138
Temperature: 1.000000
Total energy: -1048.391015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.391015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.391015 (E_RNA)
where:
Base-Base interactions energy: -729.157
where: short stacking energy: -321.550
Base-Backbone interact. energy: -0.089
local terms energy: -319.144567
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -68.481
flat angles P-C4'-P energy: -44.671
tors. eta vs tors. theta energy: -95.034
Dist. restrs. and SS energy: 0.000 (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: 138
Temperature: 1.050000
Total energy: -967.488450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.488450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.488450 (E_RNA)
where:
Base-Base interactions energy: -673.441
where: short stacking energy: -292.754
Base-Backbone interact. energy: -0.418
local terms energy: -293.628958
where:
bonds (distance) C4'-P energy: -55.556
bonds (distance) P-C4' energy: -55.490
flat angles C4'-P-C4' energy: -61.510
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: -76.638
Dist. restrs. and SS energy: 0.000 (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: 138
Temperature: 1.100000
Total energy: -904.301647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.301647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.301647 (E_RNA)
where:
Base-Base interactions energy: -622.280
where: short stacking energy: -276.206
Base-Backbone interact. energy: 5.515
local terms energy: -287.537015
where:
bonds (distance) C4'-P energy: -51.567
bonds (distance) P-C4' energy: -46.392
flat angles C4'-P-C4' energy: -62.007
flat angles P-C4'-P energy: -47.386
tors. eta vs tors. theta energy: -80.184
Dist. restrs. and SS energy: 0.000 (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: 138
Temperature: 1.150000
Total energy: -743.606239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.606239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.606239 (E_RNA)
where:
Base-Base interactions energy: -482.715
where: short stacking energy: -231.951
Base-Backbone interact. energy: -2.527
local terms energy: -258.363307
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -51.488
flat angles C4'-P-C4' energy: -58.439
flat angles P-C4'-P energy: -40.124
tors. eta vs tors. theta energy: -58.025
Dist. restrs. and SS energy: 0.000 (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: 138
Temperature: 1.200000
Total energy: -655.753472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.753472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.753472 (E_RNA)
where:
Base-Base interactions energy: -429.192
where: short stacking energy: -202.128
Base-Backbone interact. energy: -0.219
local terms energy: -226.342020
where:
bonds (distance) C4'-P energy: -57.438
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -40.375
flat angles P-C4'-P energy: -22.249
tors. eta vs tors. theta energy: -52.022
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: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -529.947515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.947515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.947515 (E_RNA)
where:
Base-Base interactions energy: -316.276
where: short stacking energy: -150.929
Base-Backbone interact. energy: -0.680
local terms energy: -212.992228
where:
bonds (distance) C4'-P energy: -47.486
bonds (distance) P-C4' energy: -57.435
flat angles C4'-P-C4' energy: -56.205
flat angles P-C4'-P energy: -26.984
tors. eta vs tors. theta energy: -24.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -501.413151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.413151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.413151 (E_RNA)
where:
Base-Base interactions energy: -289.261
where: short stacking energy: -157.799
Base-Backbone interact. energy: -0.849
local terms energy: -211.303198
where:
bonds (distance) C4'-P energy: -38.029
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -51.438
flat angles P-C4'-P energy: -33.654
tors. eta vs tors. theta energy: -36.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -331.254833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.254833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.254833 (E_RNA)
where:
Base-Base interactions energy: -156.808
where: short stacking energy: -82.482
Base-Backbone interact. energy: -1.856
local terms energy: -172.590380
where:
bonds (distance) C4'-P energy: -40.426
bonds (distance) P-C4' energy: -49.341
flat angles C4'-P-C4' energy: -50.510
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: -1.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1036.055651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.055651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.055651 (E_RNA)
where:
Base-Base interactions energy: -714.553
where: short stacking energy: -319.364
Base-Backbone interact. energy: -1.816
local terms energy: -319.686406
where:
bonds (distance) C4'-P energy: -62.231
bonds (distance) P-C4' energy: -57.586
flat angles C4'-P-C4' energy: -68.156
flat angles P-C4'-P energy: -37.471
tors. eta vs tors. theta energy: -94.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1057.173510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.173510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.173510 (E_RNA)
where:
Base-Base interactions energy: -729.760
where: short stacking energy: -320.775
Base-Backbone interact. energy: -0.184
local terms energy: -327.229667
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -67.168
flat angles C4'-P-C4' energy: -69.363
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -97.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -975.554679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.554679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.554679 (E_RNA)
where:
Base-Base interactions energy: -675.459
where: short stacking energy: -307.530
Base-Backbone interact. energy: -1.635
local terms energy: -298.460390
where:
bonds (distance) C4'-P energy: -60.731
bonds (distance) P-C4' energy: -55.790
flat angles C4'-P-C4' energy: -59.884
flat angles P-C4'-P energy: -31.040
tors. eta vs tors. theta energy: -91.015
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: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -933.617242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.617242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.617242 (E_RNA)
where:
Base-Base interactions energy: -650.919
where: short stacking energy: -269.863
Base-Backbone interact. energy: -1.250
local terms energy: -281.448383
where:
bonds (distance) C4'-P energy: -55.914
bonds (distance) P-C4' energy: -52.086
flat angles C4'-P-C4' energy: -57.240
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -71.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -913.790482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.790482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.790482 (E_RNA)
where:
Base-Base interactions energy: -616.013
where: short stacking energy: -271.973
Base-Backbone interact. energy: -0.429
local terms energy: -297.348887
where:
bonds (distance) C4'-P energy: -52.435
bonds (distance) P-C4' energy: -62.276
flat angles C4'-P-C4' energy: -61.842
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -78.655
Dist. restrs. and SS energy: 0.000 (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: 139
Temperature: 1.150000
Total energy: -735.471890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.471890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.471890 (E_RNA)
where:
Base-Base interactions energy: -488.629
where: short stacking energy: -217.962
Base-Backbone interact. energy: -2.273
local terms energy: -244.570012
where:
bonds (distance) C4'-P energy: -47.844
bonds (distance) P-C4' energy: -49.413
flat angles C4'-P-C4' energy: -55.723
flat angles P-C4'-P energy: -38.692
tors. eta vs tors. theta energy: -52.899
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: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -677.375276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.375276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.375276 (E_RNA)
where:
Base-Base interactions energy: -411.812
where: short stacking energy: -211.604
Base-Backbone interact. energy: -1.066
local terms energy: -264.498131
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -58.710
flat angles C4'-P-C4' energy: -55.452
flat angles P-C4'-P energy: -40.875
tors. eta vs tors. theta energy: -56.313
Dist. restrs. and SS energy: 0.000 (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: 139
Temperature: 1.250000
Total energy: -555.170496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.170496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.170496 (E_RNA)
where:
Base-Base interactions energy: -340.562
where: short stacking energy: -186.152
Base-Backbone interact. energy: -1.203
local terms energy: -213.404689
where:
bonds (distance) C4'-P energy: -51.054
bonds (distance) P-C4' energy: -53.358
flat angles C4'-P-C4' energy: -46.815
flat angles P-C4'-P energy: -28.662
tors. eta vs tors. theta energy: -33.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -523.192807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.192807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.192807 (E_RNA)
where:
Base-Base interactions energy: -322.159
where: short stacking energy: -153.172
Base-Backbone interact. energy: -1.700
local terms energy: -199.334083
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -55.326
flat angles C4'-P-C4' energy: -53.460
flat angles P-C4'-P energy: -27.072
tors. eta vs tors. theta energy: -17.213
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: 10, replica: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -342.029542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.029542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.029542 (E_RNA)
where:
Base-Base interactions energy: -170.362
where: short stacking energy: -119.167
Base-Backbone interact. energy: -0.901
local terms energy: -170.766563
where:
bonds (distance) C4'-P energy: -49.373
bonds (distance) P-C4' energy: -46.563
flat angles C4'-P-C4' energy: -43.698
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -10.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1059.769342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.769342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.769342 (E_RNA)
where:
Base-Base interactions energy: -730.049
where: short stacking energy: -313.524
Base-Backbone interact. energy: -0.117
local terms energy: -329.603590
where:
bonds (distance) C4'-P energy: -61.785
bonds (distance) P-C4' energy: -70.450
flat angles C4'-P-C4' energy: -61.220
flat angles P-C4'-P energy: -50.071
tors. eta vs tors. theta energy: -86.078
Dist. restrs. and SS energy: 0.000 (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: 140
Temperature: 0.950000
Total energy: -1012.166757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.166757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.166757 (E_RNA)
where:
Base-Base interactions energy: -694.985
where: short stacking energy: -310.970
Base-Backbone interact. energy: -0.472
local terms energy: -316.710017
where:
bonds (distance) C4'-P energy: -63.383
bonds (distance) P-C4' energy: -61.093
flat angles C4'-P-C4' energy: -64.931
flat angles P-C4'-P energy: -39.203
tors. eta vs tors. theta energy: -88.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -971.504875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.504875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.504875 (E_RNA)
where:
Base-Base interactions energy: -673.503
where: short stacking energy: -282.460
Base-Backbone interact. energy: -0.812
local terms energy: -297.190012
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -52.630
flat angles C4'-P-C4' energy: -62.701
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -85.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -963.567624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.567624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.567624 (E_RNA)
where:
Base-Base interactions energy: -678.112
where: short stacking energy: -274.943
Base-Backbone interact. energy: -0.902
local terms energy: -284.553362
where:
bonds (distance) C4'-P energy: -39.927
bonds (distance) P-C4' energy: -60.280
flat angles C4'-P-C4' energy: -65.264
flat angles P-C4'-P energy: -40.274
tors. eta vs tors. theta energy: -78.808
Dist. restrs. and SS energy: 0.000 (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: 140
Temperature: 1.100000
Total energy: -915.678251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.678251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.678251 (E_RNA)
where:
Base-Base interactions energy: -620.249
where: short stacking energy: -275.928
Base-Backbone interact. energy: -0.370
local terms energy: -295.058534
where:
bonds (distance) C4'-P energy: -51.547
bonds (distance) P-C4' energy: -60.661
flat angles C4'-P-C4' energy: -66.477
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: -81.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -711.964331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.964331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.964331 (E_RNA)
where:
Base-Base interactions energy: -459.307
where: short stacking energy: -206.655
Base-Backbone interact. energy: -2.869
local terms energy: -249.788164
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -59.314
flat angles C4'-P-C4' energy: -61.746
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -52.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -654.222087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.222087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.222087 (E_RNA)
where:
Base-Base interactions energy: -421.001
where: short stacking energy: -187.245
Base-Backbone interact. energy: -1.721
local terms energy: -231.499861
where:
bonds (distance) C4'-P energy: -57.675
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -50.431
flat angles P-C4'-P energy: -25.200
tors. eta vs tors. theta energy: -41.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -517.134366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.134366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.134366 (E_RNA)
where:
Base-Base interactions energy: -298.113
where: short stacking energy: -147.468
Base-Backbone interact. energy: -0.902
local terms energy: -218.119937
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -48.418
flat angles C4'-P-C4' energy: -51.725
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -559.300419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.300419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.300419 (E_RNA)
where:
Base-Base interactions energy: -356.351
where: short stacking energy: -161.471
Base-Backbone interact. energy: -0.077
local terms energy: -202.871864
where:
bonds (distance) C4'-P energy: -39.308
bonds (distance) P-C4' energy: -48.551
flat angles C4'-P-C4' energy: -53.091
flat angles P-C4'-P energy: -27.302
tors. eta vs tors. theta energy: -34.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -333.599035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.599035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.599035 (E_RNA)
where:
Base-Base interactions energy: -153.312
where: short stacking energy: -82.153
Base-Backbone interact. energy: 0.145
local terms energy: -180.431874
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -49.795
flat angles C4'-P-C4' energy: -47.519
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: 10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1061.458450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.458450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.458450 (E_RNA)
where:
Base-Base interactions energy: -727.215
where: short stacking energy: -312.464
Base-Backbone interact. energy: -0.333
local terms energy: -333.911008
where:
bonds (distance) C4'-P energy: -57.719
bonds (distance) P-C4' energy: -68.376
flat angles C4'-P-C4' energy: -64.029
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -95.605
Dist. restrs. and SS energy: 0.000 (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: 141
Temperature: 0.950000
Total energy: -1023.737085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.737085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.737085 (E_RNA)
where:
Base-Base interactions energy: -711.556
where: short stacking energy: -314.395
Base-Backbone interact. energy: 0.006
local terms energy: -312.187373
where:
bonds (distance) C4'-P energy: -54.193
bonds (distance) P-C4' energy: -60.347
flat angles C4'-P-C4' energy: -56.706
flat angles P-C4'-P energy: -49.168
tors. eta vs tors. theta energy: -91.773
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: 3, replica: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -972.154602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.154602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.154602 (E_RNA)
where:
Base-Base interactions energy: -651.681
where: short stacking energy: -282.625
Base-Backbone interact. energy: -0.854
local terms energy: -319.619386
where:
bonds (distance) C4'-P energy: -71.490
bonds (distance) P-C4' energy: -62.246
flat angles C4'-P-C4' energy: -60.034
flat angles P-C4'-P energy: -45.889
tors. eta vs tors. theta energy: -79.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -952.880724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.880724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.880724 (E_RNA)
where:
Base-Base interactions energy: -668.521
where: short stacking energy: -284.652
Base-Backbone interact. energy: -1.615
local terms energy: -282.744116
where:
bonds (distance) C4'-P energy: -55.000
bonds (distance) P-C4' energy: -51.530
flat angles C4'-P-C4' energy: -62.102
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -75.862
Dist. restrs. and SS energy: 0.000 (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: 141
Temperature: 1.100000
Total energy: -930.943049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.943049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.943049 (E_RNA)
where:
Base-Base interactions energy: -652.460
where: short stacking energy: -278.676
Base-Backbone interact. energy: -1.451
local terms energy: -277.032534
where:
bonds (distance) C4'-P energy: -48.687
bonds (distance) P-C4' energy: -53.600
flat angles C4'-P-C4' energy: -62.904
flat angles P-C4'-P energy: -35.642
tors. eta vs tors. theta energy: -76.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -749.546254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.546254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.546254 (E_RNA)
where:
Base-Base interactions energy: -520.410
where: short stacking energy: -241.785
Base-Backbone interact. energy: 2.330
local terms energy: -231.466086
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -50.832
flat angles C4'-P-C4' energy: -60.240
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -54.259
Dist. restrs. and SS energy: 0.000 (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: 141
Temperature: 1.200000
Total energy: -642.136579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.136579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.136579 (E_RNA)
where:
Base-Base interactions energy: -413.073
where: short stacking energy: -197.499
Base-Backbone interact. energy: -1.595
local terms energy: -227.468871
where:
bonds (distance) C4'-P energy: -58.404
bonds (distance) P-C4' energy: -52.498
flat angles C4'-P-C4' energy: -49.882
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -38.278
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: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -605.809250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.809250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.809250 (E_RNA)
where:
Base-Base interactions energy: -394.995
where: short stacking energy: -177.522
Base-Backbone interact. energy: 0.168
local terms energy: -210.982387
where:
bonds (distance) C4'-P energy: -48.448
bonds (distance) P-C4' energy: -53.621
flat angles C4'-P-C4' energy: -53.383
flat angles P-C4'-P energy: -30.384
tors. eta vs tors. theta energy: -25.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -504.457577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.457577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.457577 (E_RNA)
where:
Base-Base interactions energy: -288.413
where: short stacking energy: -144.695
Base-Backbone interact. energy: 2.822
local terms energy: -218.866665
where:
bonds (distance) C4'-P energy: -59.899
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -47.596
flat angles P-C4'-P energy: -34.492
tors. eta vs tors. theta energy: -25.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -323.974332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.974332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.974332 (E_RNA)
where:
Base-Base interactions energy: -157.855
where: short stacking energy: -108.260
Base-Backbone interact. energy: -1.852
local terms energy: -164.267697
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -56.189
flat angles C4'-P-C4' energy: -37.377
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.000 (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: 142
Temperature: 0.900000
Total energy: -1073.840204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.840204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.840204 (E_RNA)
where:
Base-Base interactions energy: -746.706
where: short stacking energy: -323.243
Base-Backbone interact. energy: -1.525
local terms energy: -325.609645
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -64.119
flat angles C4'-P-C4' energy: -67.455
flat angles P-C4'-P energy: -50.058
tors. eta vs tors. theta energy: -95.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1024.243121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.243121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.243121 (E_RNA)
where:
Base-Base interactions energy: -694.908
where: short stacking energy: -305.560
Base-Backbone interact. energy: -1.037
local terms energy: -328.298795
where:
bonds (distance) C4'-P energy: -60.767
bonds (distance) P-C4' energy: -59.466
flat angles C4'-P-C4' energy: -70.736
flat angles P-C4'-P energy: -47.191
tors. eta vs tors. theta energy: -90.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -981.319297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.319297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.319297 (E_RNA)
where:
Base-Base interactions energy: -656.456
where: short stacking energy: -289.189
Base-Backbone interact. energy: -2.247
local terms energy: -322.616562
where:
bonds (distance) C4'-P energy: -55.538
bonds (distance) P-C4' energy: -63.547
flat angles C4'-P-C4' energy: -68.963
flat angles P-C4'-P energy: -43.073
tors. eta vs tors. theta energy: -91.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -966.026720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.026720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.026720 (E_RNA)
where:
Base-Base interactions energy: -663.654
where: short stacking energy: -276.836
Base-Backbone interact. energy: -0.819
local terms energy: -301.553905
where:
bonds (distance) C4'-P energy: -59.543
bonds (distance) P-C4' energy: -65.828
flat angles C4'-P-C4' energy: -60.700
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -83.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -913.986591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.986591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.986591 (E_RNA)
where:
Base-Base interactions energy: -638.660
where: short stacking energy: -289.608
Base-Backbone interact. energy: -0.305
local terms energy: -275.021161
where:
bonds (distance) C4'-P energy: -43.526
bonds (distance) P-C4' energy: -57.319
flat angles C4'-P-C4' energy: -61.014
flat angles P-C4'-P energy: -36.852
tors. eta vs tors. theta energy: -76.309
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: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -721.378741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.378741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.378741 (E_RNA)
where:
Base-Base interactions energy: -468.169
where: short stacking energy: -209.565
Base-Backbone interact. energy: -1.837
local terms energy: -251.372112
where:
bonds (distance) C4'-P energy: -53.603
bonds (distance) P-C4' energy: -58.361
flat angles C4'-P-C4' energy: -52.933
flat angles P-C4'-P energy: -30.817
tors. eta vs tors. theta energy: -55.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -637.336157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.336157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.336157 (E_RNA)
where:
Base-Base interactions energy: -409.371
where: short stacking energy: -184.616
Base-Backbone interact. energy: -0.634
local terms energy: -227.330970
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -45.520
flat angles C4'-P-C4' energy: -54.688
flat angles P-C4'-P energy: -33.404
tors. eta vs tors. theta energy: -33.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -626.721044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.721044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.721044 (E_RNA)
where:
Base-Base interactions energy: -398.443
where: short stacking energy: -179.083
Base-Backbone interact. energy: -0.007
local terms energy: -228.270934
where:
bonds (distance) C4'-P energy: -47.988
bonds (distance) P-C4' energy: -60.305
flat angles C4'-P-C4' energy: -46.640
flat angles P-C4'-P energy: -33.481
tors. eta vs tors. theta energy: -39.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -485.757569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.757569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.757569 (E_RNA)
where:
Base-Base interactions energy: -292.817
where: short stacking energy: -142.392
Base-Backbone interact. energy: -1.534
local terms energy: -191.406691
where:
bonds (distance) C4'-P energy: -45.843
bonds (distance) P-C4' energy: -59.089
flat angles C4'-P-C4' energy: -47.951
flat angles P-C4'-P energy: -24.094
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -309.939264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.939264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.939264 (E_RNA)
where:
Base-Base interactions energy: -139.568
where: short stacking energy: -87.131
Base-Backbone interact. energy: 4.774
local terms energy: -175.145269
where:
bonds (distance) C4'-P energy: -50.970
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -45.124
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -3.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1084.570580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.570580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.570580 (E_RNA)
where:
Base-Base interactions energy: -740.025
where: short stacking energy: -326.324
Base-Backbone interact. energy: -2.074
local terms energy: -342.471697
where:
bonds (distance) C4'-P energy: -65.075
bonds (distance) P-C4' energy: -59.370
flat angles C4'-P-C4' energy: -63.091
flat angles P-C4'-P energy: -57.967
tors. eta vs tors. theta energy: -96.969
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: 2, replica: 5
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1003.791470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.791470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.791470 (E_RNA)
where:
Base-Base interactions energy: -691.696
where: short stacking energy: -310.810
Base-Backbone interact. energy: -2.405
local terms energy: -309.690689
where:
bonds (distance) C4'-P energy: -59.720
bonds (distance) P-C4' energy: -52.384
flat angles C4'-P-C4' energy: -67.403
flat angles P-C4'-P energy: -40.485
tors. eta vs tors. theta energy: -89.699
Dist. restrs. and SS energy: 0.000 (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: 143
Temperature: 1.000000
Total energy: -1001.368285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.368285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.368285 (E_RNA)
where:
Base-Base interactions energy: -685.425
where: short stacking energy: -297.847
Base-Backbone interact. energy: -0.847
local terms energy: -315.096154
where:
bonds (distance) C4'-P energy: -65.445
bonds (distance) P-C4' energy: -57.479
flat angles C4'-P-C4' energy: -61.854
flat angles P-C4'-P energy: -45.910
tors. eta vs tors. theta energy: -84.409
Dist. restrs. and SS energy: 0.000 (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: 143
Temperature: 1.050000
Total energy: -959.666417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.666417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.666417 (E_RNA)
where:
Base-Base interactions energy: -672.295
where: short stacking energy: -278.876
Base-Backbone interact. energy: 0.386
local terms energy: -287.757906
where:
bonds (distance) C4'-P energy: -49.610
bonds (distance) P-C4' energy: -57.690
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -42.061
tors. eta vs tors. theta energy: -79.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -931.415671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.415671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.415671 (E_RNA)
where:
Base-Base interactions energy: -631.974
where: short stacking energy: -294.914
Base-Backbone interact. energy: -0.805
local terms energy: -298.636901
where:
bonds (distance) C4'-P energy: -57.262
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -66.477
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: -82.640
Dist. restrs. and SS energy: 0.000 (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: 143
Temperature: 1.150000
Total energy: -734.470167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.470167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.470167 (E_RNA)
where:
Base-Base interactions energy: -470.770
where: short stacking energy: -200.159
Base-Backbone interact. energy: -3.222
local terms energy: -260.477514
where:
bonds (distance) C4'-P energy: -46.774
bonds (distance) P-C4' energy: -51.300
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -39.329
tors. eta vs tors. theta energy: -58.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -607.736721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.736721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.736721 (E_RNA)
where:
Base-Base interactions energy: -403.997
where: short stacking energy: -165.244
Base-Backbone interact. energy: 0.454
local terms energy: -204.193910
where:
bonds (distance) C4'-P energy: -45.269
bonds (distance) P-C4' energy: -56.021
flat angles C4'-P-C4' energy: -54.494
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -642.117613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.117613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.117613 (E_RNA)
where:
Base-Base interactions energy: -406.277
where: short stacking energy: -190.381
Base-Backbone interact. energy: -0.669
local terms energy: -235.171780
where:
bonds (distance) C4'-P energy: -55.720
bonds (distance) P-C4' energy: -48.647
flat angles C4'-P-C4' energy: -47.839
flat angles P-C4'-P energy: -31.921
tors. eta vs tors. theta energy: -51.045
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: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -458.023692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.023692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.023692 (E_RNA)
where:
Base-Base interactions energy: -256.723
where: short stacking energy: -125.889
Base-Backbone interact. energy: -1.187
local terms energy: -200.113158
where:
bonds (distance) C4'-P energy: -59.834
bonds (distance) P-C4' energy: -48.805
flat angles C4'-P-C4' energy: -37.316
flat angles P-C4'-P energy: -28.608
tors. eta vs tors. theta energy: -25.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -341.617186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.617186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.617186 (E_RNA)
where:
Base-Base interactions energy: -175.175
where: short stacking energy: -119.632
Base-Backbone interact. energy: -1.441
local terms energy: -165.001317
where:
bonds (distance) C4'-P energy: -37.451
bonds (distance) P-C4' energy: -49.825
flat angles C4'-P-C4' energy: -40.094
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -6.713
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: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1082.951053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.951053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.951053 (E_RNA)
where:
Base-Base interactions energy: -745.435
where: short stacking energy: -345.248
Base-Backbone interact. energy: 0.352
local terms energy: -337.867689
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -65.187
flat angles C4'-P-C4' energy: -70.756
flat angles P-C4'-P energy: -54.629
tors. eta vs tors. theta energy: -97.820
Dist. restrs. and SS energy: 0.000 (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: 144
Temperature: 0.950000
Total energy: -998.304173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.304173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.304173 (E_RNA)
where:
Base-Base interactions energy: -681.102
where: short stacking energy: -302.929
Base-Backbone interact. energy: -2.145
local terms energy: -315.057259
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -58.507
flat angles C4'-P-C4' energy: -70.550
flat angles P-C4'-P energy: -44.752
tors. eta vs tors. theta energy: -85.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -976.924101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.924101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.924101 (E_RNA)
where:
Base-Base interactions energy: -677.380
where: short stacking energy: -287.427
Base-Backbone interact. energy: -0.632
local terms energy: -298.912661
where:
bonds (distance) C4'-P energy: -58.143
bonds (distance) P-C4' energy: -54.661
flat angles C4'-P-C4' energy: -60.183
flat angles P-C4'-P energy: -40.586
tors. eta vs tors. theta energy: -85.340
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: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -953.051046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.051046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.051046 (E_RNA)
where:
Base-Base interactions energy: -661.884
where: short stacking energy: -281.436
Base-Backbone interact. energy: 0.561
local terms energy: -291.728001
where:
bonds (distance) C4'-P energy: -55.500
bonds (distance) P-C4' energy: -44.071
flat angles C4'-P-C4' energy: -69.812
flat angles P-C4'-P energy: -40.713
tors. eta vs tors. theta energy: -81.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -905.213600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.213600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.213600 (E_RNA)
where:
Base-Base interactions energy: -616.157
where: short stacking energy: -288.297
Base-Backbone interact. energy: -0.671
local terms energy: -288.386331
where:
bonds (distance) C4'-P energy: -55.983
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -70.231
flat angles P-C4'-P energy: -36.222
tors. eta vs tors. theta energy: -75.400
Dist. restrs. and SS energy: 0.000 (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: 144
Temperature: 1.150000
Total energy: -800.541734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.541734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.541734 (E_RNA)
where:
Base-Base interactions energy: -569.655
where: short stacking energy: -231.990
Base-Backbone interact. energy: -2.207
local terms energy: -228.680417
where:
bonds (distance) C4'-P energy: -54.451
bonds (distance) P-C4' energy: -42.670
flat angles C4'-P-C4' energy: -58.541
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -55.228
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: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -669.857498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.857498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.857498 (E_RNA)
where:
Base-Base interactions energy: -423.963
where: short stacking energy: -193.351
Base-Backbone interact. energy: -2.683
local terms energy: -243.210917
where:
bonds (distance) C4'-P energy: -50.322
bonds (distance) P-C4' energy: -53.433
flat angles C4'-P-C4' energy: -45.329
flat angles P-C4'-P energy: -43.995
tors. eta vs tors. theta energy: -50.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -589.790653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.790653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.790653 (E_RNA)
where:
Base-Base interactions energy: -359.206
where: short stacking energy: -163.860
Base-Backbone interact. energy: -0.205
local terms energy: -230.379059
where:
bonds (distance) C4'-P energy: -46.273
bonds (distance) P-C4' energy: -58.996
flat angles C4'-P-C4' energy: -61.142
flat angles P-C4'-P energy: -36.055
tors. eta vs tors. theta energy: -27.914
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -488.848902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.848902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.848902 (E_RNA)
where:
Base-Base interactions energy: -285.726
where: short stacking energy: -149.025
Base-Backbone interact. energy: 1.490
local terms energy: -204.612925
where:
bonds (distance) C4'-P energy: -53.361
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -53.368
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: 0.000 (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: 144
Temperature: 1.350000
Total energy: -327.388250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.388250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.388250 (E_RNA)
where:
Base-Base interactions energy: -161.178
where: short stacking energy: -116.095
Base-Backbone interact. energy: 5.491
local terms energy: -171.701273
where:
bonds (distance) C4'-P energy: -48.554
bonds (distance) P-C4' energy: -47.668
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -33.412
tors. eta vs tors. theta energy: -9.893
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: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1095.659941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.659941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.659941 (E_RNA)
where:
Base-Base interactions energy: -765.030
where: short stacking energy: -334.580
Base-Backbone interact. energy: -0.404
local terms energy: -330.226652
where:
bonds (distance) C4'-P energy: -57.423
bonds (distance) P-C4' energy: -60.020
flat angles C4'-P-C4' energy: -71.545
flat angles P-C4'-P energy: -51.239
tors. eta vs tors. theta energy: -89.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -988.265689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.265689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.265689 (E_RNA)
where:
Base-Base interactions energy: -675.641
where: short stacking energy: -300.215
Base-Backbone interact. energy: -0.880
local terms energy: -311.744831
where:
bonds (distance) C4'-P energy: -58.673
bonds (distance) P-C4' energy: -61.678
flat angles C4'-P-C4' energy: -60.357
flat angles P-C4'-P energy: -47.796
tors. eta vs tors. theta energy: -83.241
Dist. restrs. and SS energy: 0.000 (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: 145
Temperature: 1.000000
Total energy: -959.880786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.880786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.880786 (E_RNA)
where:
Base-Base interactions energy: -653.852
where: short stacking energy: -286.060
Base-Backbone interact. energy: -0.852
local terms energy: -305.176900
where:
bonds (distance) C4'-P energy: -57.732
bonds (distance) P-C4' energy: -64.551
flat angles C4'-P-C4' energy: -63.001
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -80.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -958.465269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.465269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.465269 (E_RNA)
where:
Base-Base interactions energy: -660.332
where: short stacking energy: -279.460
Base-Backbone interact. energy: -0.917
local terms energy: -297.216514
where:
bonds (distance) C4'-P energy: -52.520
bonds (distance) P-C4' energy: -56.966
flat angles C4'-P-C4' energy: -65.475
flat angles P-C4'-P energy: -43.778
tors. eta vs tors. theta energy: -78.477
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: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -928.145886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.145886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.145886 (E_RNA)
where:
Base-Base interactions energy: -656.494
where: short stacking energy: -269.909
Base-Backbone interact. energy: 1.480
local terms energy: -273.131374
where:
bonds (distance) C4'-P energy: -53.867
bonds (distance) P-C4' energy: -61.619
flat angles C4'-P-C4' energy: -50.909
flat angles P-C4'-P energy: -22.972
tors. eta vs tors. theta energy: -83.763
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: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -780.345298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.345298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.345298 (E_RNA)
where:
Base-Base interactions energy: -522.066
where: short stacking energy: -204.791
Base-Backbone interact. energy: -0.881
local terms energy: -257.398381
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -66.587
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -48.709
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: 7, replica: 6
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -653.278248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.278248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.278248 (E_RNA)
where:
Base-Base interactions energy: -412.130
where: short stacking energy: -195.049
Base-Backbone interact. energy: -0.379
local terms energy: -240.770033
where:
bonds (distance) C4'-P energy: -50.595
bonds (distance) P-C4' energy: -47.329
flat angles C4'-P-C4' energy: -60.686
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -40.071
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: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -606.811886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.811886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.811886 (E_RNA)
where:
Base-Base interactions energy: -395.282
where: short stacking energy: -177.049
Base-Backbone interact. energy: -0.516
local terms energy: -211.013343
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -52.712
flat angles C4'-P-C4' energy: -55.367
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -24.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -524.261204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.261204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.261204 (E_RNA)
where:
Base-Base interactions energy: -318.821
where: short stacking energy: -150.844
Base-Backbone interact. energy: -2.445
local terms energy: -202.995298
where:
bonds (distance) C4'-P energy: -44.112
bonds (distance) P-C4' energy: -52.821
flat angles C4'-P-C4' energy: -54.162
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -30.511
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: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -339.625244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.625244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.625244 (E_RNA)
where:
Base-Base interactions energy: -167.818
where: short stacking energy: -110.793
Base-Backbone interact. energy: 1.823
local terms energy: -173.630737
where:
bonds (distance) C4'-P energy: -49.711
bonds (distance) P-C4' energy: -49.009
flat angles C4'-P-C4' energy: -44.550
flat angles P-C4'-P energy: -25.484
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1090.530967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.530967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.530967 (E_RNA)
where:
Base-Base interactions energy: -751.622
where: short stacking energy: -322.133
Base-Backbone interact. energy: -1.082
local terms energy: -337.827808
where:
bonds (distance) C4'-P energy: -66.387
bonds (distance) P-C4' energy: -58.519
flat angles C4'-P-C4' energy: -65.460
flat angles P-C4'-P energy: -52.898
tors. eta vs tors. theta energy: -94.564
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: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1001.772033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.772033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.772033 (E_RNA)
where:
Base-Base interactions energy: -696.956
where: short stacking energy: -295.051
Base-Backbone interact. energy: -1.165
local terms energy: -303.650600
where:
bonds (distance) C4'-P energy: -50.928
bonds (distance) P-C4' energy: -54.529
flat angles C4'-P-C4' energy: -66.483
flat angles P-C4'-P energy: -47.299
tors. eta vs tors. theta energy: -84.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -966.152163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.152163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.152163 (E_RNA)
where:
Base-Base interactions energy: -663.175
where: short stacking energy: -301.233
Base-Backbone interact. energy: -1.824
local terms energy: -301.152897
where:
bonds (distance) C4'-P energy: -56.031
bonds (distance) P-C4' energy: -52.246
flat angles C4'-P-C4' energy: -66.903
flat angles P-C4'-P energy: -42.739
tors. eta vs tors. theta energy: -83.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -959.147409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.147409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.147409 (E_RNA)
where:
Base-Base interactions energy: -660.237
where: short stacking energy: -276.847
Base-Backbone interact. energy: -0.718
local terms energy: -298.193296
where:
bonds (distance) C4'-P energy: -58.385
bonds (distance) P-C4' energy: -67.872
flat angles C4'-P-C4' energy: -58.392
flat angles P-C4'-P energy: -37.629
tors. eta vs tors. theta energy: -75.916
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: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -946.309312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.309312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.309312 (E_RNA)
where:
Base-Base interactions energy: -652.617
where: short stacking energy: -282.891
Base-Backbone interact. energy: -1.174
local terms energy: -292.518307
where:
bonds (distance) C4'-P energy: -54.608
bonds (distance) P-C4' energy: -51.809
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -37.941
tors. eta vs tors. theta energy: -84.416
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: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -745.468429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.468429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.468429 (E_RNA)
where:
Base-Base interactions energy: -517.182
where: short stacking energy: -218.684
Base-Backbone interact. energy: -2.351
local terms energy: -225.935807
where:
bonds (distance) C4'-P energy: -49.209
bonds (distance) P-C4' energy: -56.196
flat angles C4'-P-C4' energy: -44.893
flat angles P-C4'-P energy: -29.746
tors. eta vs tors. theta energy: -45.891
Dist. restrs. and SS energy: 0.000 (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: 146
Temperature: 1.200000
Total energy: -623.731931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.731931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.731931 (E_RNA)
where:
Base-Base interactions energy: -384.375
where: short stacking energy: -179.365
Base-Backbone interact. energy: 0.919
local terms energy: -240.276373
where:
bonds (distance) C4'-P energy: -55.756
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -62.911
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -37.798
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: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -651.151741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.151741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.151741 (E_RNA)
where:
Base-Base interactions energy: -418.577
where: short stacking energy: -187.358
Base-Backbone interact. energy: 1.321
local terms energy: -233.896087
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -51.791
flat angles P-C4'-P energy: -34.506
tors. eta vs tors. theta energy: -38.817
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: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -520.796069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.796069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.796069 (E_RNA)
where:
Base-Base interactions energy: -302.070
where: short stacking energy: -147.912
Base-Backbone interact. energy: -1.046
local terms energy: -217.679494
where:
bonds (distance) C4'-P energy: -52.051
bonds (distance) P-C4' energy: -59.538
flat angles C4'-P-C4' energy: -51.492
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -29.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -348.988298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.988298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.988298 (E_RNA)
where:
Base-Base interactions energy: -168.415
where: short stacking energy: -103.334
Base-Backbone interact. energy: -0.428
local terms energy: -180.145477
where:
bonds (distance) C4'-P energy: -50.064
bonds (distance) P-C4' energy: -57.702
flat angles C4'-P-C4' energy: -49.024
flat angles P-C4'-P energy: -20.184
tors. eta vs tors. theta energy: -3.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1086.373450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.373450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.373450 (E_RNA)
where:
Base-Base interactions energy: -759.437
where: short stacking energy: -327.423
Base-Backbone interact. energy: -1.028
local terms energy: -325.908957
where:
bonds (distance) C4'-P energy: -58.611
bonds (distance) P-C4' energy: -61.303
flat angles C4'-P-C4' energy: -68.792
flat angles P-C4'-P energy: -44.012
tors. eta vs tors. theta energy: -93.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -989.256583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.256583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.256583 (E_RNA)
where:
Base-Base interactions energy: -652.987
where: short stacking energy: -299.956
Base-Backbone interact. energy: -1.661
local terms energy: -334.608955
where:
bonds (distance) C4'-P energy: -62.779
bonds (distance) P-C4' energy: -67.089
flat angles C4'-P-C4' energy: -73.893
flat angles P-C4'-P energy: -47.241
tors. eta vs tors. theta energy: -83.607
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: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1018.182772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.182772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.182772 (E_RNA)
where:
Base-Base interactions energy: -700.636
where: short stacking energy: -313.656
Base-Backbone interact. energy: -1.437
local terms energy: -316.109379
where:
bonds (distance) C4'-P energy: -51.264
bonds (distance) P-C4' energy: -61.644
flat angles C4'-P-C4' energy: -71.676
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -90.394
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: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -968.677337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.677337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.677337 (E_RNA)
where:
Base-Base interactions energy: -672.520
where: short stacking energy: -279.540
Base-Backbone interact. energy: -1.691
local terms energy: -294.466404
where:
bonds (distance) C4'-P energy: -59.740
bonds (distance) P-C4' energy: -52.715
flat angles C4'-P-C4' energy: -53.851
flat angles P-C4'-P energy: -46.438
tors. eta vs tors. theta energy: -81.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -942.465943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.465943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.465943 (E_RNA)
where:
Base-Base interactions energy: -668.754
where: short stacking energy: -283.901
Base-Backbone interact. energy: 1.812
local terms energy: -275.524210
where:
bonds (distance) C4'-P energy: -39.468
bonds (distance) P-C4' energy: -46.773
flat angles C4'-P-C4' energy: -66.308
flat angles P-C4'-P energy: -41.366
tors. eta vs tors. theta energy: -81.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -781.069302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.069302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.069302 (E_RNA)
where:
Base-Base interactions energy: -515.128
where: short stacking energy: -228.986
Base-Backbone interact. energy: -2.374
local terms energy: -263.567457
where:
bonds (distance) C4'-P energy: -57.002
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -57.996
flat angles P-C4'-P energy: -44.499
tors. eta vs tors. theta energy: -54.678
Dist. restrs. and SS energy: 0.000 (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: 147
Temperature: 1.200000
Total energy: -640.644510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.644510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.644510 (E_RNA)
where:
Base-Base interactions energy: -415.096
where: short stacking energy: -178.607
Base-Backbone interact. energy: -2.227
local terms energy: -223.321595
where:
bonds (distance) C4'-P energy: -58.064
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -55.262
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -29.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -662.603505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.603505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.603505 (E_RNA)
where:
Base-Base interactions energy: -436.123
where: short stacking energy: -208.081
Base-Backbone interact. energy: -1.315
local terms energy: -225.164946
where:
bonds (distance) C4'-P energy: -51.707
bonds (distance) P-C4' energy: -53.380
flat angles C4'-P-C4' energy: -55.145
flat angles P-C4'-P energy: -29.178
tors. eta vs tors. theta energy: -35.756
Dist. restrs. and SS energy: 0.000 (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: 147
Temperature: 1.300000
Total energy: -463.109541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.109541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.109541 (E_RNA)
where:
Base-Base interactions energy: -253.951
where: short stacking energy: -132.198
Base-Backbone interact. energy: 0.397
local terms energy: -209.556313
where:
bonds (distance) C4'-P energy: -45.734
bonds (distance) P-C4' energy: -54.640
flat angles C4'-P-C4' energy: -55.427
flat angles P-C4'-P energy: -34.887
tors. eta vs tors. theta energy: -18.868
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: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -322.955051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.955051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.955051 (E_RNA)
where:
Base-Base interactions energy: -160.922
where: short stacking energy: -88.524
Base-Backbone interact. energy: -1.689
local terms energy: -160.344065
where:
bonds (distance) C4'-P energy: -34.949
bonds (distance) P-C4' energy: -55.968
flat angles C4'-P-C4' energy: -54.978
flat angles P-C4'-P energy: -18.739
tors. eta vs tors. theta energy: 4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1083.068822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.068822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.068822 (E_RNA)
where:
Base-Base interactions energy: -761.637
where: short stacking energy: -321.428
Base-Backbone interact. energy: -1.409
local terms energy: -320.022606
where:
bonds (distance) C4'-P energy: -58.675
bonds (distance) P-C4' energy: -63.970
flat angles C4'-P-C4' energy: -61.853
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -90.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -964.212117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.212117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.212117 (E_RNA)
where:
Base-Base interactions energy: -651.676
where: short stacking energy: -284.346
Base-Backbone interact. energy: -2.507
local terms energy: -310.029004
where:
bonds (distance) C4'-P energy: -52.306
bonds (distance) P-C4' energy: -67.230
flat angles C4'-P-C4' energy: -67.096
flat angles P-C4'-P energy: -45.639
tors. eta vs tors. theta energy: -77.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -977.915465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.915465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.915465 (E_RNA)
where:
Base-Base interactions energy: -677.506
where: short stacking energy: -293.288
Base-Backbone interact. energy: -0.735
local terms energy: -299.674775
where:
bonds (distance) C4'-P energy: -59.279
bonds (distance) P-C4' energy: -60.001
flat angles C4'-P-C4' energy: -60.290
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -82.525
Dist. restrs. and SS energy: 0.000 (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: 148
Temperature: 1.050000
Total energy: -973.851814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.851814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.851814 (E_RNA)
where:
Base-Base interactions energy: -672.340
where: short stacking energy: -288.053
Base-Backbone interact. energy: 1.117
local terms energy: -302.628182
where:
bonds (distance) C4'-P energy: -62.248
bonds (distance) P-C4' energy: -55.401
flat angles C4'-P-C4' energy: -58.552
flat angles P-C4'-P energy: -46.276
tors. eta vs tors. theta energy: -80.150
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -920.977368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.977368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.977368 (E_RNA)
where:
Base-Base interactions energy: -646.481
where: short stacking energy: -283.561
Base-Backbone interact. energy: 0.692
local terms energy: -275.188890
where:
bonds (distance) C4'-P energy: -53.261
bonds (distance) P-C4' energy: -43.901
flat angles C4'-P-C4' energy: -61.684
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: -76.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -802.069555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.069555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.069555 (E_RNA)
where:
Base-Base interactions energy: -521.645
where: short stacking energy: -225.409
Base-Backbone interact. energy: -1.841
local terms energy: -278.583344
where:
bonds (distance) C4'-P energy: -59.968
bonds (distance) P-C4' energy: -60.244
flat angles C4'-P-C4' energy: -59.049
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -58.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -651.298388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.298388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.298388 (E_RNA)
where:
Base-Base interactions energy: -430.342
where: short stacking energy: -196.211
Base-Backbone interact. energy: -1.921
local terms energy: -219.035364
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -51.317
flat angles C4'-P-C4' energy: -54.162
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -42.316
Dist. restrs. and SS energy: 0.000 (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: 148
Temperature: 1.250000
Total energy: -639.387692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.387692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.387692 (E_RNA)
where:
Base-Base interactions energy: -402.708
where: short stacking energy: -184.497
Base-Backbone interact. energy: -1.305
local terms energy: -235.374869
where:
bonds (distance) C4'-P energy: -53.727
bonds (distance) P-C4' energy: -47.914
flat angles C4'-P-C4' energy: -55.765
flat angles P-C4'-P energy: -41.239
tors. eta vs tors. theta energy: -36.731
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: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -461.524609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.524609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.524609 (E_RNA)
where:
Base-Base interactions energy: -275.367
where: short stacking energy: -128.774
Base-Backbone interact. energy: 0.864
local terms energy: -187.021961
where:
bonds (distance) C4'-P energy: -37.293
bonds (distance) P-C4' energy: -51.737
flat angles C4'-P-C4' energy: -46.914
flat angles P-C4'-P energy: -40.986
tors. eta vs tors. theta energy: -10.091
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: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -326.783675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.783675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.783675 (E_RNA)
where:
Base-Base interactions energy: -161.223
where: short stacking energy: -98.882
Base-Backbone interact. energy: -1.935
local terms energy: -163.625774
where:
bonds (distance) C4'-P energy: -45.005
bonds (distance) P-C4' energy: -51.131
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -34.393
tors. eta vs tors. theta energy: 2.712
Dist. restrs. and SS energy: 0.000 (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: 149
Temperature: 0.900000
Total energy: -1094.008850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.008850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.008850 (E_RNA)
where:
Base-Base interactions energy: -781.822
where: short stacking energy: -328.151
Base-Backbone interact. energy: -0.859
local terms energy: -311.327671
where:
bonds (distance) C4'-P energy: -55.906
bonds (distance) P-C4' energy: -55.203
flat angles C4'-P-C4' energy: -60.197
flat angles P-C4'-P energy: -47.586
tors. eta vs tors. theta energy: -92.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1018.497305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.497305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.497305 (E_RNA)
where:
Base-Base interactions energy: -715.149
where: short stacking energy: -312.278
Base-Backbone interact. energy: -1.332
local terms energy: -302.016099
where:
bonds (distance) C4'-P energy: -46.409
bonds (distance) P-C4' energy: -67.683
flat angles C4'-P-C4' energy: -62.108
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -89.154
Dist. restrs. and SS energy: 0.000 (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: 149
Temperature: 1.000000
Total energy: -955.171673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.171673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.171673 (E_RNA)
where:
Base-Base interactions energy: -653.710
where: short stacking energy: -276.810
Base-Backbone interact. energy: -1.088
local terms energy: -300.373624
where:
bonds (distance) C4'-P energy: -62.775
bonds (distance) P-C4' energy: -53.777
flat angles C4'-P-C4' energy: -68.149
flat angles P-C4'-P energy: -43.057
tors. eta vs tors. theta energy: -72.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -974.788612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.788612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.788612 (E_RNA)
where:
Base-Base interactions energy: -665.893
where: short stacking energy: -292.288
Base-Backbone interact. energy: -0.515
local terms energy: -308.381071
where:
bonds (distance) C4'-P energy: -59.478
bonds (distance) P-C4' energy: -62.895
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: -78.097
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: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -904.676062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.676062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.676062 (E_RNA)
where:
Base-Base interactions energy: -628.985
where: short stacking energy: -260.457
Base-Backbone interact. energy: -0.598
local terms energy: -275.093921
where:
bonds (distance) C4'-P energy: -52.607
bonds (distance) P-C4' energy: -53.522
flat angles C4'-P-C4' energy: -63.254
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -74.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -776.442549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.442549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.442549 (E_RNA)
where:
Base-Base interactions energy: -525.602
where: short stacking energy: -245.545
Base-Backbone interact. energy: -1.743
local terms energy: -249.097910
where:
bonds (distance) C4'-P energy: -55.835
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -57.972
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -58.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -661.620311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.620311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.620311 (E_RNA)
where:
Base-Base interactions energy: -421.049
where: short stacking energy: -195.173
Base-Backbone interact. energy: 0.680
local terms energy: -241.250667
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -60.772
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -34.920
tors. eta vs tors. theta energy: -49.691
Dist. restrs. and SS energy: 0.000 (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: 149
Temperature: 1.250000
Total energy: -616.154776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.154776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.154776 (E_RNA)
where:
Base-Base interactions energy: -422.398
where: short stacking energy: -196.648
Base-Backbone interact. energy: 0.806
local terms energy: -194.562498
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -41.946
flat angles C4'-P-C4' energy: -48.451
flat angles P-C4'-P energy: -34.110
tors. eta vs tors. theta energy: -44.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -467.297183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.297183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.297183 (E_RNA)
where:
Base-Base interactions energy: -278.655
where: short stacking energy: -148.065
Base-Backbone interact. energy: -1.688
local terms energy: -186.953899
where:
bonds (distance) C4'-P energy: -47.624
bonds (distance) P-C4' energy: -44.788
flat angles C4'-P-C4' energy: -43.943
flat angles P-C4'-P energy: -30.945
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (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: 149
Temperature: 1.350000
Total energy: -326.623957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.623957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.623957 (E_RNA)
where:
Base-Base interactions energy: -163.033
where: short stacking energy: -99.274
Base-Backbone interact. energy: -0.237
local terms energy: -163.354056
where:
bonds (distance) C4'-P energy: -37.277
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -36.115
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1080.576870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.576870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.576870 (E_RNA)
where:
Base-Base interactions energy: -748.410
where: short stacking energy: -320.489
Base-Backbone interact. energy: 0.278
local terms energy: -332.444403
where:
bonds (distance) C4'-P energy: -57.347
bonds (distance) P-C4' energy: -67.573
flat angles C4'-P-C4' energy: -68.436
flat angles P-C4'-P energy: -46.298
tors. eta vs tors. theta energy: -92.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1029.484664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.484664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.484664 (E_RNA)
where:
Base-Base interactions energy: -695.347
where: short stacking energy: -305.973
Base-Backbone interact. energy: 0.159
local terms energy: -334.297350
where:
bonds (distance) C4'-P energy: -60.347
bonds (distance) P-C4' energy: -63.451
flat angles C4'-P-C4' energy: -68.246
flat angles P-C4'-P energy: -49.117
tors. eta vs tors. theta energy: -93.137
Dist. restrs. and SS energy: 0.000 (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: 150
Temperature: 1.000000
Total energy: -953.146777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.146777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.146777 (E_RNA)
where:
Base-Base interactions energy: -644.614
where: short stacking energy: -295.850
Base-Backbone interact. energy: -0.195
local terms energy: -308.337791
where:
bonds (distance) C4'-P energy: -64.441
bonds (distance) P-C4' energy: -51.484
flat angles C4'-P-C4' energy: -70.856
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -85.690
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: 4, replica: 10
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -971.992348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.992348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.992348 (E_RNA)
where:
Base-Base interactions energy: -674.641
where: short stacking energy: -294.330
Base-Backbone interact. energy: -0.710
local terms energy: -296.641864
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -54.112
flat angles C4'-P-C4' energy: -62.073
flat angles P-C4'-P energy: -44.406
tors. eta vs tors. theta energy: -84.034
Dist. restrs. and SS energy: 0.000 (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: 150
Temperature: 1.100000
Total energy: -906.578751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.578751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.578751 (E_RNA)
where:
Base-Base interactions energy: -615.009
where: short stacking energy: -266.031
Base-Backbone interact. energy: -0.463
local terms energy: -291.106574
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -60.872
flat angles C4'-P-C4' energy: -70.458
flat angles P-C4'-P energy: -38.466
tors. eta vs tors. theta energy: -71.791
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: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -762.060523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.060523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.060523 (E_RNA)
where:
Base-Base interactions energy: -498.102
where: short stacking energy: -224.472
Base-Backbone interact. energy: -0.884
local terms energy: -263.074388
where:
bonds (distance) C4'-P energy: -52.977
bonds (distance) P-C4' energy: -57.163
flat angles C4'-P-C4' energy: -53.992
flat angles P-C4'-P energy: -38.951
tors. eta vs tors. theta energy: -59.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -635.059875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.059875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.059875 (E_RNA)
where:
Base-Base interactions energy: -392.836
where: short stacking energy: -186.682
Base-Backbone interact. energy: -0.967
local terms energy: -241.257150
where:
bonds (distance) C4'-P energy: -51.796
bonds (distance) P-C4' energy: -52.510
flat angles C4'-P-C4' energy: -65.016
flat angles P-C4'-P energy: -28.677
tors. eta vs tors. theta energy: -43.258
Dist. restrs. and SS energy: 0.000 (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: 150
Temperature: 1.250000
Total energy: -620.160508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.160508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.160508 (E_RNA)
where:
Base-Base interactions energy: -396.895
where: short stacking energy: -187.400
Base-Backbone interact. energy: 1.987
local terms energy: -225.252863
where:
bonds (distance) C4'-P energy: -48.480
bonds (distance) P-C4' energy: -45.527
flat angles C4'-P-C4' energy: -54.005
flat angles P-C4'-P energy: -33.773
tors. eta vs tors. theta energy: -43.468
Dist. restrs. and SS energy: 0.000 (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: 150
Temperature: 1.300000
Total energy: -505.472360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.472360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.472360 (E_RNA)
where:
Base-Base interactions energy: -309.124
where: short stacking energy: -155.354
Base-Backbone interact. energy: -1.406
local terms energy: -194.942708
where:
bonds (distance) C4'-P energy: -46.989
bonds (distance) P-C4' energy: -53.165
flat angles C4'-P-C4' energy: -45.022
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -27.069
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: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -257.641557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.641557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.641557 (E_RNA)
where:
Base-Base interactions energy: -87.501
where: short stacking energy: -84.598
Base-Backbone interact. energy: -0.962
local terms energy: -169.177843
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -51.139
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -2.463
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: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1094.440761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.440761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.440761 (E_RNA)
where:
Base-Base interactions energy: -756.435
where: short stacking energy: -324.123
Base-Backbone interact. energy: -1.402
local terms energy: -336.603848
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -63.347
flat angles C4'-P-C4' energy: -70.019
flat angles P-C4'-P energy: -48.863
tors. eta vs tors. theta energy: -96.617
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: 2, replica: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1020.003558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.003558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.003558 (E_RNA)
where:
Base-Base interactions energy: -695.223
where: short stacking energy: -328.165
Base-Backbone interact. energy: -1.918
local terms energy: -322.863004
where:
bonds (distance) C4'-P energy: -59.581
bonds (distance) P-C4' energy: -55.649
flat angles C4'-P-C4' energy: -70.065
flat angles P-C4'-P energy: -40.724
tors. eta vs tors. theta energy: -96.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -966.763972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.763972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.763972 (E_RNA)
where:
Base-Base interactions energy: -657.732
where: short stacking energy: -286.622
Base-Backbone interact. energy: -1.826
local terms energy: -307.206360
where:
bonds (distance) C4'-P energy: -50.060
bonds (distance) P-C4' energy: -59.660
flat angles C4'-P-C4' energy: -68.245
flat angles P-C4'-P energy: -43.761
tors. eta vs tors. theta energy: -85.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1011.902182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.902182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.902182 (E_RNA)
where:
Base-Base interactions energy: -711.805
where: short stacking energy: -311.162
Base-Backbone interact. energy: -0.291
local terms energy: -299.806502
where:
bonds (distance) C4'-P energy: -46.432
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -64.204
flat angles P-C4'-P energy: -36.289
tors. eta vs tors. theta energy: -92.703
Dist. restrs. and SS energy: 0.000 (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: 151
Temperature: 1.100000
Total energy: -918.359985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.359985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.359985 (E_RNA)
where:
Base-Base interactions energy: -645.081
where: short stacking energy: -283.238
Base-Backbone interact. energy: -1.624
local terms energy: -271.655296
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -42.973
flat angles C4'-P-C4' energy: -61.114
flat angles P-C4'-P energy: -38.321
tors. eta vs tors. theta energy: -73.286
Dist. restrs. and SS energy: 0.000 (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: 151
Temperature: 1.150000
Total energy: -774.823382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.823382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.823382 (E_RNA)
where:
Base-Base interactions energy: -500.313
where: short stacking energy: -226.335
Base-Backbone interact. energy: -2.189
local terms energy: -272.321969
where:
bonds (distance) C4'-P energy: -58.702
bonds (distance) P-C4' energy: -54.040
flat angles C4'-P-C4' energy: -58.914
flat angles P-C4'-P energy: -42.779
tors. eta vs tors. theta energy: -57.887
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: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -642.711501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.711501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.711501 (E_RNA)
where:
Base-Base interactions energy: -417.267
where: short stacking energy: -209.800
Base-Backbone interact. energy: 2.958
local terms energy: -228.402799
where:
bonds (distance) C4'-P energy: -54.005
bonds (distance) P-C4' energy: -46.712
flat angles C4'-P-C4' energy: -57.673
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -44.765
Dist. restrs. and SS energy: 0.000 (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: 151
Temperature: 1.250000
Total energy: -621.663957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.663957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.663957 (E_RNA)
where:
Base-Base interactions energy: -402.955
where: short stacking energy: -186.165
Base-Backbone interact. energy: -1.720
local terms energy: -216.989542
where:
bonds (distance) C4'-P energy: -48.490
bonds (distance) P-C4' energy: -41.502
flat angles C4'-P-C4' energy: -48.054
flat angles P-C4'-P energy: -42.166
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (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: 151
Temperature: 1.300000
Total energy: -515.079749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.079749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.079749 (E_RNA)
where:
Base-Base interactions energy: -316.735
where: short stacking energy: -157.888
Base-Backbone interact. energy: 2.338
local terms energy: -200.682692
where:
bonds (distance) C4'-P energy: -37.046
bonds (distance) P-C4' energy: -60.150
flat angles C4'-P-C4' energy: -52.336
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.000 (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: 151
Temperature: 1.350000
Total energy: -259.812260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.812260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.812260 (E_RNA)
where:
Base-Base interactions energy: -96.412
where: short stacking energy: -80.010
Base-Backbone interact. energy: -0.785
local terms energy: -162.614613
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -56.966
flat angles C4'-P-C4' energy: -35.226
flat angles P-C4'-P energy: -21.018
tors. eta vs tors. theta energy: -5.734
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: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1087.284896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.284896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.284896 (E_RNA)
where:
Base-Base interactions energy: -766.584
where: short stacking energy: -327.646
Base-Backbone interact. energy: -1.536
local terms energy: -319.164193
where:
bonds (distance) C4'-P energy: -54.414
bonds (distance) P-C4' energy: -54.620
flat angles C4'-P-C4' energy: -71.563
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: -92.391
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: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1013.429922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.429922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.429922 (E_RNA)
where:
Base-Base interactions energy: -682.441
where: short stacking energy: -305.555
Base-Backbone interact. energy: -1.121
local terms energy: -329.868197
where:
bonds (distance) C4'-P energy: -69.439
bonds (distance) P-C4' energy: -56.908
flat angles C4'-P-C4' energy: -71.934
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -86.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1031.308508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.308508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.308508 (E_RNA)
where:
Base-Base interactions energy: -713.928
where: short stacking energy: -324.120
Base-Backbone interact. energy: -0.079
local terms energy: -317.302376
where:
bonds (distance) C4'-P energy: -47.977
bonds (distance) P-C4' energy: -57.454
flat angles C4'-P-C4' energy: -70.315
flat angles P-C4'-P energy: -47.006
tors. eta vs tors. theta energy: -94.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -932.928774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.928774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.928774 (E_RNA)
where:
Base-Base interactions energy: -642.788
where: short stacking energy: -261.699
Base-Backbone interact. energy: -0.642
local terms energy: -289.498360
where:
bonds (distance) C4'-P energy: -53.460
bonds (distance) P-C4' energy: -61.850
flat angles C4'-P-C4' energy: -56.994
flat angles P-C4'-P energy: -45.064
tors. eta vs tors. theta energy: -72.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -898.941451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.941451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.941451 (E_RNA)
where:
Base-Base interactions energy: -622.496
where: short stacking energy: -262.782
Base-Backbone interact. energy: -0.199
local terms energy: -276.245867
where:
bonds (distance) C4'-P energy: -48.163
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -60.212
flat angles P-C4'-P energy: -38.786
tors. eta vs tors. theta energy: -69.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -779.149465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.149465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.149465 (E_RNA)
where:
Base-Base interactions energy: -521.320
where: short stacking energy: -226.190
Base-Backbone interact. energy: -0.679
local terms energy: -257.150573
where:
bonds (distance) C4'-P energy: -58.810
bonds (distance) P-C4' energy: -49.617
flat angles C4'-P-C4' energy: -59.406
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -65.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -661.737778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.737778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.737778 (E_RNA)
where:
Base-Base interactions energy: -432.093
where: short stacking energy: -206.648
Base-Backbone interact. energy: 4.950
local terms energy: -234.595349
where:
bonds (distance) C4'-P energy: -56.959
bonds (distance) P-C4' energy: -60.774
flat angles C4'-P-C4' energy: -49.515
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -43.850
Dist. restrs. and SS energy: 0.000 (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: 152
Temperature: 1.250000
Total energy: -609.295055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.295055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.295055 (E_RNA)
where:
Base-Base interactions energy: -409.410
where: short stacking energy: -178.891
Base-Backbone interact. energy: -0.730
local terms energy: -199.154571
where:
bonds (distance) C4'-P energy: -45.790
bonds (distance) P-C4' energy: -41.397
flat angles C4'-P-C4' energy: -50.314
flat angles P-C4'-P energy: -23.196
tors. eta vs tors. theta energy: -38.458
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: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -494.082785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.082785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.082785 (E_RNA)
where:
Base-Base interactions energy: -293.846
where: short stacking energy: -135.236
Base-Backbone interact. energy: -0.895
local terms energy: -199.341095
where:
bonds (distance) C4'-P energy: -52.932
bonds (distance) P-C4' energy: -52.904
flat angles C4'-P-C4' energy: -44.463
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -259.847420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.847420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.847420 (E_RNA)
where:
Base-Base interactions energy: -119.402
where: short stacking energy: -81.377
Base-Backbone interact. energy: 1.295
local terms energy: -141.740568
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -35.702
flat angles C4'-P-C4' energy: -42.032
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: 4.983
Dist. restrs. and SS energy: 0.000 (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: 153
Temperature: 0.900000
Total energy: -1072.368774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.368774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.368774 (E_RNA)
where:
Base-Base interactions energy: -742.374
where: short stacking energy: -312.157
Base-Backbone interact. energy: -0.806
local terms energy: -329.188517
where:
bonds (distance) C4'-P energy: -59.534
bonds (distance) P-C4' energy: -62.804
flat angles C4'-P-C4' energy: -63.309
flat angles P-C4'-P energy: -47.987
tors. eta vs tors. theta energy: -95.555
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: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1024.641947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.641947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.641947 (E_RNA)
where:
Base-Base interactions energy: -694.535
where: short stacking energy: -309.075
Base-Backbone interact. energy: -1.850
local terms energy: -328.257600
where:
bonds (distance) C4'-P energy: -51.423
bonds (distance) P-C4' energy: -68.689
flat angles C4'-P-C4' energy: -67.105
flat angles P-C4'-P energy: -44.541
tors. eta vs tors. theta energy: -96.499
Dist. restrs. and SS energy: 0.000 (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: 153
Temperature: 1.000000
Total energy: -1005.958172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.958172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.958172 (E_RNA)
where:
Base-Base interactions energy: -671.882
where: short stacking energy: -300.223
Base-Backbone interact. energy: -1.485
local terms energy: -332.590594
where:
bonds (distance) C4'-P energy: -56.025
bonds (distance) P-C4' energy: -59.706
flat angles C4'-P-C4' energy: -72.644
flat angles P-C4'-P energy: -50.151
tors. eta vs tors. theta energy: -94.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -939.223583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.223583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.223583 (E_RNA)
where:
Base-Base interactions energy: -644.991
where: short stacking energy: -287.402
Base-Backbone interact. energy: -2.638
local terms energy: -291.594559
where:
bonds (distance) C4'-P energy: -51.136
bonds (distance) P-C4' energy: -59.691
flat angles C4'-P-C4' energy: -60.425
flat angles P-C4'-P energy: -44.926
tors. eta vs tors. theta energy: -75.416
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: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -879.059707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.059707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.059707 (E_RNA)
where:
Base-Base interactions energy: -608.235
where: short stacking energy: -242.647
Base-Backbone interact. energy: -0.588
local terms energy: -270.236690
where:
bonds (distance) C4'-P energy: -55.517
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -56.430
flat angles P-C4'-P energy: -44.494
tors. eta vs tors. theta energy: -59.709
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -733.413343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.413343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.413343 (E_RNA)
where:
Base-Base interactions energy: -482.622
where: short stacking energy: -207.787
Base-Backbone interact. energy: 0.876
local terms energy: -251.667170
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -55.987
flat angles C4'-P-C4' energy: -63.164
flat angles P-C4'-P energy: -25.227
tors. eta vs tors. theta energy: -51.310
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: 7, replica: 6
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -670.225886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.225886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.225886 (E_RNA)
where:
Base-Base interactions energy: -442.117
where: short stacking energy: -204.288
Base-Backbone interact. energy: -1.158
local terms energy: -226.950821
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -41.525
flat angles C4'-P-C4' energy: -49.843
flat angles P-C4'-P energy: -40.694
tors. eta vs tors. theta energy: -45.063
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: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -618.948706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.948706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.948706 (E_RNA)
where:
Base-Base interactions energy: -400.518
where: short stacking energy: -196.334
Base-Backbone interact. energy: 2.796
local terms energy: -221.226296
where:
bonds (distance) C4'-P energy: -41.038
bonds (distance) P-C4' energy: -61.249
flat angles C4'-P-C4' energy: -51.902
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -37.674
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: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -554.172306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.172306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.172306 (E_RNA)
where:
Base-Base interactions energy: -335.004
where: short stacking energy: -171.154
Base-Backbone interact. energy: 0.716
local terms energy: -219.884458
where:
bonds (distance) C4'-P energy: -56.963
bonds (distance) P-C4' energy: -48.485
flat angles C4'-P-C4' energy: -48.530
flat angles P-C4'-P energy: -32.492
tors. eta vs tors. theta energy: -33.415
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: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -273.803448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.803448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.803448 (E_RNA)
where:
Base-Base interactions energy: -90.125
where: short stacking energy: -62.576
Base-Backbone interact. energy: 1.789
local terms energy: -185.466959
where:
bonds (distance) C4'-P energy: -45.373
bonds (distance) P-C4' energy: -60.537
flat angles C4'-P-C4' energy: -46.896
flat angles P-C4'-P energy: -40.912
tors. eta vs tors. theta energy: 8.251
Dist. restrs. and SS energy: 0.000 (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: 154
Temperature: 0.900000
Total energy: -1064.954972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.954972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.954972 (E_RNA)
where:
Base-Base interactions energy: -734.177
where: short stacking energy: -329.935
Base-Backbone interact. energy: -1.297
local terms energy: -329.480987
where:
bonds (distance) C4'-P energy: -59.820
bonds (distance) P-C4' energy: -55.328
flat angles C4'-P-C4' energy: -70.916
flat angles P-C4'-P energy: -49.772
tors. eta vs tors. theta energy: -93.645
Dist. restrs. and SS energy: 0.000 (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: 154
Temperature: 0.950000
Total energy: -1057.029972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.029972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.029972 (E_RNA)
where:
Base-Base interactions energy: -745.281
where: short stacking energy: -319.382
Base-Backbone interact. energy: -0.208
local terms energy: -311.540186
where:
bonds (distance) C4'-P energy: -54.542
bonds (distance) P-C4' energy: -54.196
flat angles C4'-P-C4' energy: -63.651
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: -92.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -982.004990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.004990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.004990 (E_RNA)
where:
Base-Base interactions energy: -672.436
where: short stacking energy: -301.488
Base-Backbone interact. energy: -0.923
local terms energy: -308.646325
where:
bonds (distance) C4'-P energy: -55.843
bonds (distance) P-C4' energy: -57.103
flat angles C4'-P-C4' energy: -59.996
flat angles P-C4'-P energy: -52.386
tors. eta vs tors. theta energy: -83.319
Dist. restrs. and SS energy: 0.000 (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: 154
Temperature: 1.050000
Total energy: -942.275251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.275251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.275251 (E_RNA)
where:
Base-Base interactions energy: -655.577
where: short stacking energy: -288.113
Base-Backbone interact. energy: 0.121
local terms energy: -286.819420
where:
bonds (distance) C4'-P energy: -51.762
bonds (distance) P-C4' energy: -53.458
flat angles C4'-P-C4' energy: -59.102
flat angles P-C4'-P energy: -42.210
tors. eta vs tors. theta energy: -80.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -882.184064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.184064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.184064 (E_RNA)
where:
Base-Base interactions energy: -619.767
where: short stacking energy: -264.347
Base-Backbone interact. energy: 0.698
local terms energy: -263.115242
where:
bonds (distance) C4'-P energy: -40.283
bonds (distance) P-C4' energy: -62.588
flat angles C4'-P-C4' energy: -58.648
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -66.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -735.742830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.742830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.742830 (E_RNA)
where:
Base-Base interactions energy: -502.402
where: short stacking energy: -221.402
Base-Backbone interact. energy: -1.076
local terms energy: -232.265178
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -55.033
flat angles C4'-P-C4' energy: -47.216
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -48.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -670.063989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.063989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.063989 (E_RNA)
where:
Base-Base interactions energy: -435.868
where: short stacking energy: -180.986
Base-Backbone interact. energy: -2.682
local terms energy: -231.514076
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -52.188
flat angles C4'-P-C4' energy: -55.871
flat angles P-C4'-P energy: -44.389
tors. eta vs tors. theta energy: -31.414
Dist. restrs. and SS energy: 0.000 (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: 154
Temperature: 1.250000
Total energy: -622.123721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.123721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.123721 (E_RNA)
where:
Base-Base interactions energy: -422.215
where: short stacking energy: -177.198
Base-Backbone interact. energy: 3.470
local terms energy: -203.377868
where:
bonds (distance) C4'-P energy: -50.651
bonds (distance) P-C4' energy: -52.801
flat angles C4'-P-C4' energy: -40.280
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -27.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -524.772800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.772800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.772800 (E_RNA)
where:
Base-Base interactions energy: -317.516
where: short stacking energy: -168.394
Base-Backbone interact. energy: -1.590
local terms energy: -205.666922
where:
bonds (distance) C4'-P energy: -52.600
bonds (distance) P-C4' energy: -50.587
flat angles C4'-P-C4' energy: -40.031
flat angles P-C4'-P energy: -30.084
tors. eta vs tors. theta energy: -32.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -241.050767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.050767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.050767 (E_RNA)
where:
Base-Base interactions energy: -80.517
where: short stacking energy: -72.264
Base-Backbone interact. energy: 0.901
local terms energy: -161.434626
where:
bonds (distance) C4'-P energy: -49.066
bonds (distance) P-C4' energy: -55.387
flat angles C4'-P-C4' energy: -38.857
flat angles P-C4'-P energy: -26.841
tors. eta vs tors. theta energy: 8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1048.749015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.749015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.749015 (E_RNA)
where:
Base-Base interactions energy: -732.917
where: short stacking energy: -325.057
Base-Backbone interact. energy: -0.386
local terms energy: -315.445727
where:
bonds (distance) C4'-P energy: -60.593
bonds (distance) P-C4' energy: -50.339
flat angles C4'-P-C4' energy: -67.808
flat angles P-C4'-P energy: -44.678
tors. eta vs tors. theta energy: -92.028
Dist. restrs. and SS energy: 0.000 (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: 155
Temperature: 0.950000
Total energy: -1047.371169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.371169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.371169 (E_RNA)
where:
Base-Base interactions energy: -712.963
where: short stacking energy: -307.716
Base-Backbone interact. energy: -0.755
local terms energy: -333.653231
where:
bonds (distance) C4'-P energy: -62.631
bonds (distance) P-C4' energy: -61.776
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -49.491
tors. eta vs tors. theta energy: -95.214
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: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -990.845056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.845056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.845056 (E_RNA)
where:
Base-Base interactions energy: -682.049
where: short stacking energy: -297.747
Base-Backbone interact. energy: -2.840
local terms energy: -305.955896
where:
bonds (distance) C4'-P energy: -57.677
bonds (distance) P-C4' energy: -60.997
flat angles C4'-P-C4' energy: -54.982
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -92.679
Dist. restrs. and SS energy: 0.000 (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: 155
Temperature: 1.050000
Total energy: -945.940237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.940237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.940237 (E_RNA)
where:
Base-Base interactions energy: -636.800
where: short stacking energy: -285.666
Base-Backbone interact. energy: -0.277
local terms energy: -308.863582
where:
bonds (distance) C4'-P energy: -53.476
bonds (distance) P-C4' energy: -48.967
flat angles C4'-P-C4' energy: -70.071
flat angles P-C4'-P energy: -51.669
tors. eta vs tors. theta energy: -84.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -876.839893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.839893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.839893 (E_RNA)
where:
Base-Base interactions energy: -591.061
where: short stacking energy: -271.232
Base-Backbone interact. energy: -1.785
local terms energy: -283.994180
where:
bonds (distance) C4'-P energy: -49.301
bonds (distance) P-C4' energy: -54.874
flat angles C4'-P-C4' energy: -67.912
flat angles P-C4'-P energy: -45.318
tors. eta vs tors. theta energy: -66.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -800.294519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.294519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.294519 (E_RNA)
where:
Base-Base interactions energy: -532.317
where: short stacking energy: -236.738
Base-Backbone interact. energy: -3.296
local terms energy: -264.680809
where:
bonds (distance) C4'-P energy: -53.402
bonds (distance) P-C4' energy: -57.679
flat angles C4'-P-C4' energy: -50.985
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -67.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -659.252355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.252355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.252355 (E_RNA)
where:
Base-Base interactions energy: -418.774
where: short stacking energy: -197.520
Base-Backbone interact. energy: -0.549
local terms energy: -239.929725
where:
bonds (distance) C4'-P energy: -54.940
bonds (distance) P-C4' energy: -56.513
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -30.232
tors. eta vs tors. theta energy: -37.235
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: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -637.438040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.438040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.438040 (E_RNA)
where:
Base-Base interactions energy: -414.832
where: short stacking energy: -179.269
Base-Backbone interact. energy: 2.781
local terms energy: -225.386991
where:
bonds (distance) C4'-P energy: -51.609
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -47.411
flat angles P-C4'-P energy: -33.046
tors. eta vs tors. theta energy: -39.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -496.452914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.452914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.452914 (E_RNA)
where:
Base-Base interactions energy: -282.380
where: short stacking energy: -138.030
Base-Backbone interact. energy: -0.743
local terms energy: -213.330317
where:
bonds (distance) C4'-P energy: -51.838
bonds (distance) P-C4' energy: -55.514
flat angles C4'-P-C4' energy: -55.714
flat angles P-C4'-P energy: -28.425
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -270.289992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.289992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.289992 (E_RNA)
where:
Base-Base interactions energy: -114.935
where: short stacking energy: -87.180
Base-Backbone interact. energy: -0.962
local terms energy: -154.393609
where:
bonds (distance) C4'-P energy: -42.255
bonds (distance) P-C4' energy: -51.820
flat angles C4'-P-C4' energy: -44.479
flat angles P-C4'-P energy: -16.588
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1053.237061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.237061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.237061 (E_RNA)
where:
Base-Base interactions energy: -725.911
where: short stacking energy: -322.740
Base-Backbone interact. energy: -0.810
local terms energy: -326.515699
where:
bonds (distance) C4'-P energy: -64.079
bonds (distance) P-C4' energy: -63.429
flat angles C4'-P-C4' energy: -66.167
flat angles P-C4'-P energy: -41.407
tors. eta vs tors. theta energy: -91.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1040.343834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.343834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.343834 (E_RNA)
where:
Base-Base interactions energy: -714.142
where: short stacking energy: -315.674
Base-Backbone interact. energy: -1.263
local terms energy: -324.939458
where:
bonds (distance) C4'-P energy: -49.956
bonds (distance) P-C4' energy: -62.970
flat angles C4'-P-C4' energy: -67.741
flat angles P-C4'-P energy: -48.793
tors. eta vs tors. theta energy: -95.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -961.074573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.074573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.074573 (E_RNA)
where:
Base-Base interactions energy: -654.437
where: short stacking energy: -293.921
Base-Backbone interact. energy: -0.839
local terms energy: -305.798555
where:
bonds (distance) C4'-P energy: -54.609
bonds (distance) P-C4' energy: -63.293
flat angles C4'-P-C4' energy: -68.267
flat angles P-C4'-P energy: -42.553
tors. eta vs tors. theta energy: -77.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -984.563260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.563260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.563260 (E_RNA)
where:
Base-Base interactions energy: -677.971
where: short stacking energy: -299.542
Base-Backbone interact. energy: -0.552
local terms energy: -306.040921
where:
bonds (distance) C4'-P energy: -61.954
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -59.394
flat angles P-C4'-P energy: -43.679
tors. eta vs tors. theta energy: -88.530
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: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -886.561121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.561121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.561121 (E_RNA)
where:
Base-Base interactions energy: -612.643
where: short stacking energy: -259.817
Base-Backbone interact. energy: 1.721
local terms energy: -275.639366
where:
bonds (distance) C4'-P energy: -56.096
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -62.748
flat angles P-C4'-P energy: -32.753
tors. eta vs tors. theta energy: -71.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -781.473551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.473551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.473551 (E_RNA)
where:
Base-Base interactions energy: -529.851
where: short stacking energy: -222.684
Base-Backbone interact. energy: -1.107
local terms energy: -250.514915
where:
bonds (distance) C4'-P energy: -49.303
bonds (distance) P-C4' energy: -53.709
flat angles C4'-P-C4' energy: -57.796
flat angles P-C4'-P energy: -37.138
tors. eta vs tors. theta energy: -52.568
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: 156
Temperature: 1.200000
Total energy: -647.017967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.017967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.017967 (E_RNA)
where:
Base-Base interactions energy: -412.389
where: short stacking energy: -213.348
Base-Backbone interact. energy: 0.066
local terms energy: -234.694890
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -44.072
flat angles C4'-P-C4' energy: -58.559
flat angles P-C4'-P energy: -36.475
tors. eta vs tors. theta energy: -51.022
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: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -624.094211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.094211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.094211 (E_RNA)
where:
Base-Base interactions energy: -406.452
where: short stacking energy: -169.991
Base-Backbone interact. energy: -2.453
local terms energy: -215.189220
where:
bonds (distance) C4'-P energy: -37.925
bonds (distance) P-C4' energy: -54.846
flat angles C4'-P-C4' energy: -49.252
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -29.312
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: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -535.407122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.407122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.407122 (E_RNA)
where:
Base-Base interactions energy: -327.641
where: short stacking energy: -149.089
Base-Backbone interact. energy: -2.258
local terms energy: -205.508629
where:
bonds (distance) C4'-P energy: -56.528
bonds (distance) P-C4' energy: -46.085
flat angles C4'-P-C4' energy: -43.911
flat angles P-C4'-P energy: -23.935
tors. eta vs tors. theta energy: -35.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -251.545206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.545206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.545206 (E_RNA)
where:
Base-Base interactions energy: -76.407
where: short stacking energy: -76.382
Base-Backbone interact. energy: -0.646
local terms energy: -174.491672
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -46.433
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -28.612
tors. eta vs tors. theta energy: -1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1051.682624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.682624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.682624 (E_RNA)
where:
Base-Base interactions energy: -732.854
where: short stacking energy: -307.420
Base-Backbone interact. energy: -0.408
local terms energy: -318.420998
where:
bonds (distance) C4'-P energy: -55.471
bonds (distance) P-C4' energy: -66.099
flat angles C4'-P-C4' energy: -68.847
flat angles P-C4'-P energy: -44.879
tors. eta vs tors. theta energy: -83.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1043.583678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.583678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.583678 (E_RNA)
where:
Base-Base interactions energy: -728.290
where: short stacking energy: -319.278
Base-Backbone interact. energy: -0.638
local terms energy: -314.655898
where:
bonds (distance) C4'-P energy: -56.235
bonds (distance) P-C4' energy: -42.940
flat angles C4'-P-C4' energy: -65.484
flat angles P-C4'-P energy: -51.696
tors. eta vs tors. theta energy: -98.301
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: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -962.973055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.973055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.973055 (E_RNA)
where:
Base-Base interactions energy: -683.821
where: short stacking energy: -288.915
Base-Backbone interact. energy: 0.203
local terms energy: -279.355625
where:
bonds (distance) C4'-P energy: -44.938
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -61.258
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -82.063
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: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -971.352483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.352483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.352483 (E_RNA)
where:
Base-Base interactions energy: -644.759
where: short stacking energy: -287.587
Base-Backbone interact. energy: 0.387
local terms energy: -326.980564
where:
bonds (distance) C4'-P energy: -63.377
bonds (distance) P-C4' energy: -63.540
flat angles C4'-P-C4' energy: -72.156
flat angles P-C4'-P energy: -46.179
tors. eta vs tors. theta energy: -81.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -874.204787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.204787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.204787 (E_RNA)
where:
Base-Base interactions energy: -602.945
where: short stacking energy: -251.870
Base-Backbone interact. energy: 3.717
local terms energy: -274.976838
where:
bonds (distance) C4'-P energy: -54.066
bonds (distance) P-C4' energy: -56.046
flat angles C4'-P-C4' energy: -61.428
flat angles P-C4'-P energy: -38.166
tors. eta vs tors. theta energy: -65.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -795.179071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.179071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.179071 (E_RNA)
where:
Base-Base interactions energy: -534.195
where: short stacking energy: -242.829
Base-Backbone interact. energy: -1.269
local terms energy: -259.714995
where:
bonds (distance) C4'-P energy: -40.844
bonds (distance) P-C4' energy: -41.513
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -44.407
tors. eta vs tors. theta energy: -73.092
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: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -663.224928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.224928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.224928 (E_RNA)
where:
Base-Base interactions energy: -422.877
where: short stacking energy: -203.607
Base-Backbone interact. energy: 0.174
local terms energy: -240.521324
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -44.976
flat angles C4'-P-C4' energy: -56.888
flat angles P-C4'-P energy: -45.455
tors. eta vs tors. theta energy: -47.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -613.113353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.113353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.113353 (E_RNA)
where:
Base-Base interactions energy: -396.220
where: short stacking energy: -174.196
Base-Backbone interact. energy: -1.000
local terms energy: -215.893804
where:
bonds (distance) C4'-P energy: -45.495
bonds (distance) P-C4' energy: -58.396
flat angles C4'-P-C4' energy: -54.154
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -30.493
Dist. restrs. and SS energy: 0.000 (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: 157
Temperature: 1.300000
Total energy: -520.951657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.951657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.951657 (E_RNA)
where:
Base-Base interactions energy: -327.372
where: short stacking energy: -154.633
Base-Backbone interact. energy: -0.550
local terms energy: -193.029723
where:
bonds (distance) C4'-P energy: -54.729
bonds (distance) P-C4' energy: -39.528
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -248.174555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.174555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.174555 (E_RNA)
where:
Base-Base interactions energy: -96.813
where: short stacking energy: -74.479
Base-Backbone interact. energy: -0.710
local terms energy: -150.651499
where:
bonds (distance) C4'-P energy: -36.375
bonds (distance) P-C4' energy: -38.964
flat angles C4'-P-C4' energy: -55.689
flat angles P-C4'-P energy: -31.423
tors. eta vs tors. theta energy: 11.800
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: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1051.084442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.084442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.084442 (E_RNA)
where:
Base-Base interactions energy: -718.505
where: short stacking energy: -319.527
Base-Backbone interact. energy: -1.018
local terms energy: -331.560681
where:
bonds (distance) C4'-P energy: -62.018
bonds (distance) P-C4' energy: -61.588
flat angles C4'-P-C4' energy: -66.228
flat angles P-C4'-P energy: -48.032
tors. eta vs tors. theta energy: -93.694
Dist. restrs. and SS energy: 0.000 (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: 158
Temperature: 0.950000
Total energy: -1032.224873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.224873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.224873 (E_RNA)
where:
Base-Base interactions energy: -716.670
where: short stacking energy: -307.051
Base-Backbone interact. energy: -0.926
local terms energy: -314.628908
where:
bonds (distance) C4'-P energy: -60.450
bonds (distance) P-C4' energy: -55.394
flat angles C4'-P-C4' energy: -67.086
flat angles P-C4'-P energy: -45.625
tors. eta vs tors. theta energy: -86.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -961.406085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.406085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.406085 (E_RNA)
where:
Base-Base interactions energy: -664.078
where: short stacking energy: -291.453
Base-Backbone interact. energy: 0.296
local terms energy: -297.625015
where:
bonds (distance) C4'-P energy: -55.270
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -68.459
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -80.382
Dist. restrs. and SS energy: 0.000 (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: 158
Temperature: 1.050000
Total energy: -975.180554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.180554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.180554 (E_RNA)
where:
Base-Base interactions energy: -687.839
where: short stacking energy: -287.308
Base-Backbone interact. energy: -1.140
local terms energy: -286.201957
where:
bonds (distance) C4'-P energy: -49.053
bonds (distance) P-C4' energy: -54.280
flat angles C4'-P-C4' energy: -65.304
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -83.635
Dist. restrs. and SS energy: 0.000 (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: 158
Temperature: 1.100000
Total energy: -896.597226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.597226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.597226 (E_RNA)
where:
Base-Base interactions energy: -609.631
where: short stacking energy: -271.405
Base-Backbone interact. energy: -1.370
local terms energy: -285.596136
where:
bonds (distance) C4'-P energy: -53.048
bonds (distance) P-C4' energy: -46.519
flat angles C4'-P-C4' energy: -67.446
flat angles P-C4'-P energy: -48.620
tors. eta vs tors. theta energy: -69.963
Dist. restrs. and SS energy: 0.000 (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: 158
Temperature: 1.150000
Total energy: -815.100998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.100998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.100998 (E_RNA)
where:
Base-Base interactions energy: -560.116
where: short stacking energy: -225.057
Base-Backbone interact. energy: -1.106
local terms energy: -253.878792
where:
bonds (distance) C4'-P energy: -42.038
bonds (distance) P-C4' energy: -58.559
flat angles C4'-P-C4' energy: -59.158
flat angles P-C4'-P energy: -34.750
tors. eta vs tors. theta energy: -59.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -675.334236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.334236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.334236 (E_RNA)
where:
Base-Base interactions energy: -441.037
where: short stacking energy: -200.659
Base-Backbone interact. energy: -2.037
local terms energy: -232.259651
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -55.992
flat angles C4'-P-C4' energy: -57.183
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -45.432
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: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -612.857526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.857526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.857526 (E_RNA)
where:
Base-Base interactions energy: -421.429
where: short stacking energy: -188.161
Base-Backbone interact. energy: -0.521
local terms energy: -190.907288
where:
bonds (distance) C4'-P energy: -36.539
bonds (distance) P-C4' energy: -36.502
flat angles C4'-P-C4' energy: -55.770
flat angles P-C4'-P energy: -23.465
tors. eta vs tors. theta energy: -38.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -503.169662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.169662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.169662 (E_RNA)
where:
Base-Base interactions energy: -298.704
where: short stacking energy: -143.832
Base-Backbone interact. energy: 2.372
local terms energy: -206.837592
where:
bonds (distance) C4'-P energy: -44.163
bonds (distance) P-C4' energy: -55.377
flat angles C4'-P-C4' energy: -52.022
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -26.846
Dist. restrs. and SS energy: 0.000 (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: 158
Temperature: 1.350000
Total energy: -260.563535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.563535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.563535 (E_RNA)
where:
Base-Base interactions energy: -96.179
where: short stacking energy: -73.865
Base-Backbone interact. energy: -1.434
local terms energy: -162.950197
where:
bonds (distance) C4'-P energy: -64.843
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -40.628
flat angles P-C4'-P energy: -16.947
tors. eta vs tors. theta energy: 12.069
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: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1065.331476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.331476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.331476 (E_RNA)
where:
Base-Base interactions energy: -733.661
where: short stacking energy: -322.882
Base-Backbone interact. energy: -0.265
local terms energy: -331.404756
where:
bonds (distance) C4'-P energy: -61.439
bonds (distance) P-C4' energy: -58.263
flat angles C4'-P-C4' energy: -71.100
flat angles P-C4'-P energy: -47.957
tors. eta vs tors. theta energy: -92.645
Dist. restrs. and SS energy: 0.000 (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: 159
Temperature: 0.950000
Total energy: -1032.982094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.982094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.982094 (E_RNA)
where:
Base-Base interactions energy: -713.776
where: short stacking energy: -319.373
Base-Backbone interact. energy: -0.128
local terms energy: -319.078596
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -57.171
flat angles C4'-P-C4' energy: -64.635
flat angles P-C4'-P energy: -51.160
tors. eta vs tors. theta energy: -94.093
Dist. restrs. and SS energy: 0.000 (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: 159
Temperature: 1.000000
Total energy: -971.765046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.765046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.765046 (E_RNA)
where:
Base-Base interactions energy: -643.129
where: short stacking energy: -294.020
Base-Backbone interact. energy: 0.886
local terms energy: -329.522200
where:
bonds (distance) C4'-P energy: -61.454
bonds (distance) P-C4' energy: -63.928
flat angles C4'-P-C4' energy: -69.245
flat angles P-C4'-P energy: -46.377
tors. eta vs tors. theta energy: -88.518
Dist. restrs. and SS energy: 0.000 (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: 159
Temperature: 1.050000
Total energy: -964.904024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.904024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.904024 (E_RNA)
where:
Base-Base interactions energy: -685.285
where: short stacking energy: -288.874
Base-Backbone interact. energy: 0.600
local terms energy: -280.218272
where:
bonds (distance) C4'-P energy: -47.522
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -56.124
flat angles P-C4'-P energy: -48.159
tors. eta vs tors. theta energy: -76.667
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: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -900.386794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.386794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.386794 (E_RNA)
where:
Base-Base interactions energy: -630.425
where: short stacking energy: -272.806
Base-Backbone interact. energy: -1.099
local terms energy: -268.863136
where:
bonds (distance) C4'-P energy: -49.743
bonds (distance) P-C4' energy: -51.253
flat angles C4'-P-C4' energy: -63.217
flat angles P-C4'-P energy: -33.635
tors. eta vs tors. theta energy: -71.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -816.854173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.854173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.854173 (E_RNA)
where:
Base-Base interactions energy: -559.018
where: short stacking energy: -243.893
Base-Backbone interact. energy: 0.741
local terms energy: -258.576383
where:
bonds (distance) C4'-P energy: -40.861
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -65.722
flat angles P-C4'-P energy: -40.463
tors. eta vs tors. theta energy: -52.191
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: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -677.419721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.419721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.419721 (E_RNA)
where:
Base-Base interactions energy: -444.171
where: short stacking energy: -181.734
Base-Backbone interact. energy: -0.595
local terms energy: -232.654070
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -52.648
flat angles C4'-P-C4' energy: -47.244
flat angles P-C4'-P energy: -41.829
tors. eta vs tors. theta energy: -47.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -596.825940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.825940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.825940 (E_RNA)
where:
Base-Base interactions energy: -387.511
where: short stacking energy: -166.938
Base-Backbone interact. energy: 1.226
local terms energy: -210.540946
where:
bonds (distance) C4'-P energy: -60.098
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -39.255
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -33.575
Dist. restrs. and SS energy: 0.000 (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: 159
Temperature: 1.300000
Total energy: -502.775804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.775804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.775804 (E_RNA)
where:
Base-Base interactions energy: -295.009
where: short stacking energy: -157.139
Base-Backbone interact. energy: -0.578
local terms energy: -207.187918
where:
bonds (distance) C4'-P energy: -41.293
bonds (distance) P-C4' energy: -61.182
flat angles C4'-P-C4' energy: -50.240
flat angles P-C4'-P energy: -32.145
tors. eta vs tors. theta energy: -22.328
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: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -243.038475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.038475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.038475 (E_RNA)
where:
Base-Base interactions energy: -95.020
where: short stacking energy: -84.579
Base-Backbone interact. energy: 3.568
local terms energy: -151.586798
where:
bonds (distance) C4'-P energy: -48.709
bonds (distance) P-C4' energy: -43.070
flat angles C4'-P-C4' energy: -46.599
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: 6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1076.195745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.195745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.195745 (E_RNA)
where:
Base-Base interactions energy: -750.587
where: short stacking energy: -318.076
Base-Backbone interact. energy: 2.793
local terms energy: -328.402626
where:
bonds (distance) C4'-P energy: -54.638
bonds (distance) P-C4' energy: -60.576
flat angles C4'-P-C4' energy: -64.201
flat angles P-C4'-P energy: -52.475
tors. eta vs tors. theta energy: -96.511
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: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1052.896413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.896413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.896413 (E_RNA)
where:
Base-Base interactions energy: -726.788
where: short stacking energy: -304.209
Base-Backbone interact. energy: -0.210
local terms energy: -325.898811
where:
bonds (distance) C4'-P energy: -56.807
bonds (distance) P-C4' energy: -56.532
flat angles C4'-P-C4' energy: -69.690
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: -95.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -960.282257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.282257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.282257 (E_RNA)
where:
Base-Base interactions energy: -663.576
where: short stacking energy: -281.360
Base-Backbone interact. energy: 0.791
local terms energy: -297.497224
where:
bonds (distance) C4'-P energy: -58.685
bonds (distance) P-C4' energy: -62.798
flat angles C4'-P-C4' energy: -63.891
flat angles P-C4'-P energy: -38.016
tors. eta vs tors. theta energy: -74.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -954.963370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.963370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.963370 (E_RNA)
where:
Base-Base interactions energy: -665.892
where: short stacking energy: -292.964
Base-Backbone interact. energy: 0.555
local terms energy: -289.626968
where:
bonds (distance) C4'-P energy: -49.316
bonds (distance) P-C4' energy: -62.922
flat angles C4'-P-C4' energy: -65.311
flat angles P-C4'-P energy: -30.042
tors. eta vs tors. theta energy: -82.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -886.075844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.075844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.075844 (E_RNA)
where:
Base-Base interactions energy: -623.694
where: short stacking energy: -238.896
Base-Backbone interact. energy: -0.364
local terms energy: -262.017919
where:
bonds (distance) C4'-P energy: -56.676
bonds (distance) P-C4' energy: -55.068
flat angles C4'-P-C4' energy: -60.169
flat angles P-C4'-P energy: -36.408
tors. eta vs tors. theta energy: -53.697
Dist. restrs. and SS energy: 0.000 (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: 160
Temperature: 1.150000
Total energy: -782.965882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.965882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.965882 (E_RNA)
where:
Base-Base interactions energy: -516.528
where: short stacking energy: -220.197
Base-Backbone interact. energy: -2.160
local terms energy: -264.277983
where:
bonds (distance) C4'-P energy: -53.279
bonds (distance) P-C4' energy: -53.644
flat angles C4'-P-C4' energy: -58.434
flat angles P-C4'-P energy: -45.807
tors. eta vs tors. theta energy: -53.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -666.854304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.854304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.854304 (E_RNA)
where:
Base-Base interactions energy: -439.948
where: short stacking energy: -190.769
Base-Backbone interact. energy: -2.434
local terms energy: -224.472886
where:
bonds (distance) C4'-P energy: -56.093
bonds (distance) P-C4' energy: -52.977
flat angles C4'-P-C4' energy: -41.870
flat angles P-C4'-P energy: -30.824
tors. eta vs tors. theta energy: -42.709
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: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -547.426888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.426888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.426888 (E_RNA)
where:
Base-Base interactions energy: -333.245
where: short stacking energy: -133.217
Base-Backbone interact. energy: -1.143
local terms energy: -213.038186
where:
bonds (distance) C4'-P energy: -54.339
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -55.771
flat angles P-C4'-P energy: -31.647
tors. eta vs tors. theta energy: -15.557
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: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -505.391124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.391124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.391124 (E_RNA)
where:
Base-Base interactions energy: -299.164
where: short stacking energy: -154.412
Base-Backbone interact. energy: -1.921
local terms energy: -204.305911
where:
bonds (distance) C4'-P energy: -53.036
bonds (distance) P-C4' energy: -47.298
flat angles C4'-P-C4' energy: -51.777
flat angles P-C4'-P energy: -31.026
tors. eta vs tors. theta energy: -21.170
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: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -261.745300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.745300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.745300 (E_RNA)
where:
Base-Base interactions energy: -106.806
where: short stacking energy: -61.317
Base-Backbone interact. energy: 4.327
local terms energy: -159.266676
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -49.651
flat angles C4'-P-C4' energy: -39.163
flat angles P-C4'-P energy: -26.836
tors. eta vs tors. theta energy: 2.606
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: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1082.445401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.445401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.445401 (E_RNA)
where:
Base-Base interactions energy: -749.906
where: short stacking energy: -325.129
Base-Backbone interact. energy: -0.143
local terms energy: -332.397251
where:
bonds (distance) C4'-P energy: -54.989
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -76.148
flat angles P-C4'-P energy: -52.657
tors. eta vs tors. theta energy: -95.797
Dist. restrs. and SS energy: 0.000 (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: 161
Temperature: 0.950000
Total energy: -1059.218280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.218280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.218280 (E_RNA)
where:
Base-Base interactions energy: -727.750
where: short stacking energy: -321.135
Base-Backbone interact. energy: -0.383
local terms energy: -331.085013
where:
bonds (distance) C4'-P energy: -63.780
bonds (distance) P-C4' energy: -55.390
flat angles C4'-P-C4' energy: -67.892
flat angles P-C4'-P energy: -48.331
tors. eta vs tors. theta energy: -95.692
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: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -953.011321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.011321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.011321 (E_RNA)
where:
Base-Base interactions energy: -648.739
where: short stacking energy: -280.558
Base-Backbone interact. energy: -1.180
local terms energy: -303.092740
where:
bonds (distance) C4'-P energy: -57.683
bonds (distance) P-C4' energy: -56.003
flat angles C4'-P-C4' energy: -67.840
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -76.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -916.764022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.764022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.764022 (E_RNA)
where:
Base-Base interactions energy: -632.333
where: short stacking energy: -277.289
Base-Backbone interact. energy: -1.270
local terms energy: -283.161576
where:
bonds (distance) C4'-P energy: -54.062
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -70.670
Dist. restrs. and SS energy: 0.000 (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: 161
Temperature: 1.100000
Total energy: -897.458319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.458319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.458319 (E_RNA)
where:
Base-Base interactions energy: -632.944
where: short stacking energy: -264.320
Base-Backbone interact. energy: -0.208
local terms energy: -264.306059
where:
bonds (distance) C4'-P energy: -47.305
bonds (distance) P-C4' energy: -61.482
flat angles C4'-P-C4' energy: -66.368
flat angles P-C4'-P energy: -32.879
tors. eta vs tors. theta energy: -56.273
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: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -817.900781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.900781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.900781 (E_RNA)
where:
Base-Base interactions energy: -543.202
where: short stacking energy: -246.517
Base-Backbone interact. energy: 0.140
local terms energy: -274.837967
where:
bonds (distance) C4'-P energy: -43.909
bonds (distance) P-C4' energy: -58.324
flat angles C4'-P-C4' energy: -57.264
flat angles P-C4'-P energy: -47.683
tors. eta vs tors. theta energy: -67.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -699.418710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.418710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.418710 (E_RNA)
where:
Base-Base interactions energy: -435.474
where: short stacking energy: -197.953
Base-Backbone interact. energy: -1.674
local terms energy: -262.271078
where:
bonds (distance) C4'-P energy: -54.842
bonds (distance) P-C4' energy: -58.976
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: -55.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -599.886746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.886746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.886746 (E_RNA)
where:
Base-Base interactions energy: -367.387
where: short stacking energy: -167.152
Base-Backbone interact. energy: -1.238
local terms energy: -231.261104
where:
bonds (distance) C4'-P energy: -59.867
bonds (distance) P-C4' energy: -55.288
flat angles C4'-P-C4' energy: -54.652
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: -33.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -528.391021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.391021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.391021 (E_RNA)
where:
Base-Base interactions energy: -322.473
where: short stacking energy: -154.465
Base-Backbone interact. energy: -1.092
local terms energy: -204.826435
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -48.509
flat angles P-C4'-P energy: -28.350
tors. eta vs tors. theta energy: -30.118
Dist. restrs. and SS energy: 0.000 (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: 161
Temperature: 1.350000
Total energy: -275.587003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.587003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.587003 (E_RNA)
where:
Base-Base interactions energy: -95.698
where: short stacking energy: -88.962
Base-Backbone interact. energy: 5.327
local terms energy: -185.216720
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -52.609
flat angles C4'-P-C4' energy: -44.118
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (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: 162
Temperature: 0.900000
Total energy: -1055.611440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.611440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.611440 (E_RNA)
where:
Base-Base interactions energy: -747.383
where: short stacking energy: -307.453
Base-Backbone interact. energy: -0.440
local terms energy: -307.787924
where:
bonds (distance) C4'-P energy: -55.725
bonds (distance) P-C4' energy: -63.464
flat angles C4'-P-C4' energy: -64.443
flat angles P-C4'-P energy: -40.705
tors. eta vs tors. theta energy: -83.450
Dist. restrs. and SS energy: 0.000 (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: 162
Temperature: 0.950000
Total energy: -1064.666664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.666664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.666664 (E_RNA)
where:
Base-Base interactions energy: -731.096
where: short stacking energy: -322.474
Base-Backbone interact. energy: -0.941
local terms energy: -332.629840
where:
bonds (distance) C4'-P energy: -62.717
bonds (distance) P-C4' energy: -62.108
flat angles C4'-P-C4' energy: -65.675
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: -93.465
Dist. restrs. and SS energy: 0.000 (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: 162
Temperature: 1.000000
Total energy: -972.858477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.858477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.858477 (E_RNA)
where:
Base-Base interactions energy: -654.395
where: short stacking energy: -269.684
Base-Backbone interact. energy: -0.565
local terms energy: -317.898780
where:
bonds (distance) C4'-P energy: -64.367
bonds (distance) P-C4' energy: -61.519
flat angles C4'-P-C4' energy: -67.440
flat angles P-C4'-P energy: -47.994
tors. eta vs tors. theta energy: -76.578
Dist. restrs. and SS energy: 0.000 (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: 162
Temperature: 1.050000
Total energy: -941.642999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.642999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.642999 (E_RNA)
where:
Base-Base interactions energy: -647.925
where: short stacking energy: -281.603
Base-Backbone interact. energy: -2.369
local terms energy: -291.348848
where:
bonds (distance) C4'-P energy: -47.147
bonds (distance) P-C4' energy: -67.407
flat angles C4'-P-C4' energy: -58.449
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -81.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -907.287472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.287472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.287472 (E_RNA)
where:
Base-Base interactions energy: -634.313
where: short stacking energy: -258.199
Base-Backbone interact. energy: -1.651
local terms energy: -271.323310
where:
bonds (distance) C4'-P energy: -60.393
bonds (distance) P-C4' energy: -60.993
flat angles C4'-P-C4' energy: -56.551
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -63.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -815.361963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.361963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.361963 (E_RNA)
where:
Base-Base interactions energy: -540.480
where: short stacking energy: -245.291
Base-Backbone interact. energy: -0.657
local terms energy: -274.224960
where:
bonds (distance) C4'-P energy: -50.841
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -58.224
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -63.334
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: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -685.170844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.170844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.170844 (E_RNA)
where:
Base-Base interactions energy: -439.860
where: short stacking energy: -211.475
Base-Backbone interact. energy: 1.107
local terms energy: -246.418118
where:
bonds (distance) C4'-P energy: -49.811
bonds (distance) P-C4' energy: -55.689
flat angles C4'-P-C4' energy: -52.685
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -43.024
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: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -585.212600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.212600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.212600 (E_RNA)
where:
Base-Base interactions energy: -370.680
where: short stacking energy: -168.955
Base-Backbone interact. energy: -0.567
local terms energy: -213.966181
where:
bonds (distance) C4'-P energy: -44.470
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -48.830
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -34.548
Dist. restrs. and SS energy: 0.000 (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: 162
Temperature: 1.300000
Total energy: -459.813376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.813376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.813376 (E_RNA)
where:
Base-Base interactions energy: -260.043
where: short stacking energy: -124.835
Base-Backbone interact. energy: 0.967
local terms energy: -200.737474
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -53.240
flat angles C4'-P-C4' energy: -56.094
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (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: 162
Temperature: 1.350000
Total energy: -299.451255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.451255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.451255 (E_RNA)
where:
Base-Base interactions energy: -152.608
where: short stacking energy: -73.072
Base-Backbone interact. energy: -0.242
local terms energy: -146.601222
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -50.441
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: 1.433
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: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1077.270207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.270207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.270207 (E_RNA)
where:
Base-Base interactions energy: -760.165
where: short stacking energy: -323.565
Base-Backbone interact. energy: -0.657
local terms energy: -316.447799
where:
bonds (distance) C4'-P energy: -58.223
bonds (distance) P-C4' energy: -56.414
flat angles C4'-P-C4' energy: -65.163
flat angles P-C4'-P energy: -45.608
tors. eta vs tors. theta energy: -91.040
Dist. restrs. and SS energy: 0.000 (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: 163
Temperature: 0.950000
Total energy: -1077.326284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.326284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.326284 (E_RNA)
where:
Base-Base interactions energy: -740.462
where: short stacking energy: -335.692
Base-Backbone interact. energy: -0.304
local terms energy: -336.560240
where:
bonds (distance) C4'-P energy: -63.674
bonds (distance) P-C4' energy: -58.297
flat angles C4'-P-C4' energy: -65.539
flat angles P-C4'-P energy: -50.045
tors. eta vs tors. theta energy: -99.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -969.690767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.690767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.690767 (E_RNA)
where:
Base-Base interactions energy: -659.707
where: short stacking energy: -276.943
Base-Backbone interact. energy: -0.754
local terms energy: -309.230400
where:
bonds (distance) C4'-P energy: -57.084
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -69.786
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -84.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -911.777146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.777146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.777146 (E_RNA)
where:
Base-Base interactions energy: -646.149
where: short stacking energy: -287.911
Base-Backbone interact. energy: -0.736
local terms energy: -264.892538
where:
bonds (distance) C4'-P energy: -54.133
bonds (distance) P-C4' energy: -40.589
flat angles C4'-P-C4' energy: -64.716
flat angles P-C4'-P energy: -38.063
tors. eta vs tors. theta energy: -67.391
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: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -922.049877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.049877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.049877 (E_RNA)
where:
Base-Base interactions energy: -643.303
where: short stacking energy: -286.735
Base-Backbone interact. energy: 2.260
local terms energy: -281.007067
where:
bonds (distance) C4'-P energy: -42.291
bonds (distance) P-C4' energy: -47.582
flat angles C4'-P-C4' energy: -67.891
flat angles P-C4'-P energy: -45.878
tors. eta vs tors. theta energy: -77.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -775.976747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.976747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.976747 (E_RNA)
where:
Base-Base interactions energy: -522.094
where: short stacking energy: -239.137
Base-Backbone interact. energy: -0.870
local terms energy: -253.013043
where:
bonds (distance) C4'-P energy: -56.766
bonds (distance) P-C4' energy: -45.710
flat angles C4'-P-C4' energy: -55.298
flat angles P-C4'-P energy: -35.135
tors. eta vs tors. theta energy: -60.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -704.301213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.301213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.301213 (E_RNA)
where:
Base-Base interactions energy: -457.533
where: short stacking energy: -205.291
Base-Backbone interact. energy: -1.799
local terms energy: -244.969939
where:
bonds (distance) C4'-P energy: -55.307
bonds (distance) P-C4' energy: -49.342
flat angles C4'-P-C4' energy: -63.624
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -48.462
Dist. restrs. and SS energy: 0.000 (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: 163
Temperature: 1.250000
Total energy: -575.236015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.236015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.236015 (E_RNA)
where:
Base-Base interactions energy: -390.936
where: short stacking energy: -168.673
Base-Backbone interact. energy: 2.666
local terms energy: -186.965550
where:
bonds (distance) C4'-P energy: -45.273
bonds (distance) P-C4' energy: -44.943
flat angles C4'-P-C4' energy: -58.059
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -480.297707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.297707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.297707 (E_RNA)
where:
Base-Base interactions energy: -281.916
where: short stacking energy: -144.750
Base-Backbone interact. energy: -0.901
local terms energy: -197.481325
where:
bonds (distance) C4'-P energy: -50.478
bonds (distance) P-C4' energy: -52.934
flat angles C4'-P-C4' energy: -42.083
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: -22.397
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: 10, replica: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -362.921228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.921228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.921228 (E_RNA)
where:
Base-Base interactions energy: -198.623
where: short stacking energy: -111.792
Base-Backbone interact. energy: -0.702
local terms energy: -163.596410
where:
bonds (distance) C4'-P energy: -52.261
bonds (distance) P-C4' energy: -42.202
flat angles C4'-P-C4' energy: -34.664
flat angles P-C4'-P energy: -28.312
tors. eta vs tors. theta energy: -6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1071.817979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.817979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.817979 (E_RNA)
where:
Base-Base interactions energy: -734.511
where: short stacking energy: -336.251
Base-Backbone interact. energy: -2.009
local terms energy: -335.297757
where:
bonds (distance) C4'-P energy: -59.504
bonds (distance) P-C4' energy: -65.019
flat angles C4'-P-C4' energy: -62.446
flat angles P-C4'-P energy: -50.305
tors. eta vs tors. theta energy: -98.024
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: 2, replica: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1055.207270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.207270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.207270 (E_RNA)
where:
Base-Base interactions energy: -724.599
where: short stacking energy: -320.418
Base-Backbone interact. energy: -0.881
local terms energy: -329.726544
where:
bonds (distance) C4'-P energy: -62.573
bonds (distance) P-C4' energy: -52.168
flat angles C4'-P-C4' energy: -71.528
flat angles P-C4'-P energy: -50.414
tors. eta vs tors. theta energy: -93.043
Dist. restrs. and SS energy: 0.000 (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: 164
Temperature: 1.000000
Total energy: -977.121473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.121473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.121473 (E_RNA)
where:
Base-Base interactions energy: -677.171
where: short stacking energy: -293.701
Base-Backbone interact. energy: -0.686
local terms energy: -299.264476
where:
bonds (distance) C4'-P energy: -43.398
bonds (distance) P-C4' energy: -59.588
flat angles C4'-P-C4' energy: -68.730
flat angles P-C4'-P energy: -45.618
tors. eta vs tors. theta energy: -81.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -938.112905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.112905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.112905 (E_RNA)
where:
Base-Base interactions energy: -647.407
where: short stacking energy: -273.199
Base-Backbone interact. energy: -2.097
local terms energy: -288.609158
where:
bonds (distance) C4'-P energy: -62.350
bonds (distance) P-C4' energy: -53.510
flat angles C4'-P-C4' energy: -56.967
flat angles P-C4'-P energy: -41.603
tors. eta vs tors. theta energy: -74.179
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: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -916.794630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.794630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.794630 (E_RNA)
where:
Base-Base interactions energy: -642.324
where: short stacking energy: -275.848
Base-Backbone interact. energy: -0.560
local terms energy: -273.910829
where:
bonds (distance) C4'-P energy: -51.763
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -72.409
Dist. restrs. and SS energy: 0.000 (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: 164
Temperature: 1.150000
Total energy: -785.212433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.212433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.212433 (E_RNA)
where:
Base-Base interactions energy: -509.342
where: short stacking energy: -231.752
Base-Backbone interact. energy: 0.434
local terms energy: -276.304329
where:
bonds (distance) C4'-P energy: -51.870
bonds (distance) P-C4' energy: -59.355
flat angles C4'-P-C4' energy: -60.539
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -62.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -702.776155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.776155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.776155 (E_RNA)
where:
Base-Base interactions energy: -466.695
where: short stacking energy: -198.476
Base-Backbone interact. energy: -3.156
local terms energy: -232.925611
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -53.340
flat angles C4'-P-C4' energy: -50.981
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: -47.529
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: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -630.971107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.971107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.971107 (E_RNA)
where:
Base-Base interactions energy: -412.032
where: short stacking energy: -184.195
Base-Backbone interact. energy: -1.318
local terms energy: -217.620661
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -46.808
flat angles C4'-P-C4' energy: -45.476
flat angles P-C4'-P energy: -29.814
tors. eta vs tors. theta energy: -43.798
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: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -461.245621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.245621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.245621 (E_RNA)
where:
Base-Base interactions energy: -270.811
where: short stacking energy: -125.926
Base-Backbone interact. energy: -0.806
local terms energy: -189.628527
where:
bonds (distance) C4'-P energy: -58.406
bonds (distance) P-C4' energy: -60.213
flat angles C4'-P-C4' energy: -45.507
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -434.068711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.068711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.068711 (E_RNA)
where:
Base-Base interactions energy: -254.561
where: short stacking energy: -129.862
Base-Backbone interact. energy: 1.664
local terms energy: -181.171484
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -52.739
flat angles P-C4'-P energy: -22.678
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1097.292515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.292515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.292515 (E_RNA)
where:
Base-Base interactions energy: -748.433
where: short stacking energy: -341.342
Base-Backbone interact. energy: 0.799
local terms energy: -349.658561
where:
bonds (distance) C4'-P energy: -66.124
bonds (distance) P-C4' energy: -65.271
flat angles C4'-P-C4' energy: -72.954
flat angles P-C4'-P energy: -45.177
tors. eta vs tors. theta energy: -100.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1070.983292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.983292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.983292 (E_RNA)
where:
Base-Base interactions energy: -738.206
where: short stacking energy: -336.738
Base-Backbone interact. energy: -0.408
local terms energy: -332.368636
where:
bonds (distance) C4'-P energy: -58.041
bonds (distance) P-C4' energy: -58.939
flat angles C4'-P-C4' energy: -71.061
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -101.686
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: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -961.055291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.055291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.055291 (E_RNA)
where:
Base-Base interactions energy: -649.797
where: short stacking energy: -297.452
Base-Backbone interact. energy: 2.610
local terms energy: -313.868555
where:
bonds (distance) C4'-P energy: -59.090
bonds (distance) P-C4' energy: -51.985
flat angles C4'-P-C4' energy: -63.692
flat angles P-C4'-P energy: -56.192
tors. eta vs tors. theta energy: -82.910
Dist. restrs. and SS energy: 0.000 (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: 165
Temperature: 1.050000
Total energy: -905.849804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.849804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.849804 (E_RNA)
where:
Base-Base interactions energy: -611.621
where: short stacking energy: -284.122
Base-Backbone interact. energy: -2.905
local terms energy: -291.323889
where:
bonds (distance) C4'-P energy: -56.026
bonds (distance) P-C4' energy: -57.432
flat angles C4'-P-C4' energy: -67.407
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: -72.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -941.164741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.164741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.164741 (E_RNA)
where:
Base-Base interactions energy: -634.541
where: short stacking energy: -279.246
Base-Backbone interact. energy: -1.308
local terms energy: -305.315003
where:
bonds (distance) C4'-P energy: -60.361
bonds (distance) P-C4' energy: -59.696
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -43.853
tors. eta vs tors. theta energy: -81.875
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: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -785.963075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.963075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.963075 (E_RNA)
where:
Base-Base interactions energy: -515.921
where: short stacking energy: -238.916
Base-Backbone interact. energy: 0.697
local terms energy: -270.739209
where:
bonds (distance) C4'-P energy: -52.907
bonds (distance) P-C4' energy: -58.457
flat angles C4'-P-C4' energy: -58.928
flat angles P-C4'-P energy: -35.776
tors. eta vs tors. theta energy: -64.671
Dist. restrs. and SS energy: 0.000 (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: 165
Temperature: 1.200000
Total energy: -684.348963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.348963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.348963 (E_RNA)
where:
Base-Base interactions energy: -430.746
where: short stacking energy: -211.381
Base-Backbone interact. energy: -1.265
local terms energy: -252.338385
where:
bonds (distance) C4'-P energy: -58.281
bonds (distance) P-C4' energy: -54.600
flat angles C4'-P-C4' energy: -58.437
flat angles P-C4'-P energy: -37.187
tors. eta vs tors. theta energy: -43.833
Dist. restrs. and SS energy: 0.000 (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: 165
Temperature: 1.250000
Total energy: -633.989231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.989231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.989231 (E_RNA)
where:
Base-Base interactions energy: -423.818
where: short stacking energy: -195.778
Base-Backbone interact. energy: -0.735
local terms energy: -209.436004
where:
bonds (distance) C4'-P energy: -49.526
bonds (distance) P-C4' energy: -43.187
flat angles C4'-P-C4' energy: -58.066
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -34.521
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: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -492.585456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.585456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.585456 (E_RNA)
where:
Base-Base interactions energy: -291.457
where: short stacking energy: -161.297
Base-Backbone interact. energy: 0.544
local terms energy: -201.672229
where:
bonds (distance) C4'-P energy: -51.114
bonds (distance) P-C4' energy: -47.783
flat angles C4'-P-C4' energy: -46.542
flat angles P-C4'-P energy: -30.178
tors. eta vs tors. theta energy: -26.055
Dist. restrs. and SS energy: 0.000 (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: 165
Temperature: 1.350000
Total energy: -488.517752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.517752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.517752 (E_RNA)
where:
Base-Base interactions energy: -297.525
where: short stacking energy: -151.639
Base-Backbone interact. energy: 1.860
local terms energy: -192.852666
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -58.607
flat angles C4'-P-C4' energy: -49.467
flat angles P-C4'-P energy: -30.228
tors. eta vs tors. theta energy: -18.415
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: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1066.708626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.708626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.708626 (E_RNA)
where:
Base-Base interactions energy: -733.246
where: short stacking energy: -327.923
Base-Backbone interact. energy: -0.721
local terms energy: -332.741632
where:
bonds (distance) C4'-P energy: -59.925
bonds (distance) P-C4' energy: -62.653
flat angles C4'-P-C4' energy: -66.576
flat angles P-C4'-P energy: -45.365
tors. eta vs tors. theta energy: -98.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1056.972362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.972362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.972362 (E_RNA)
where:
Base-Base interactions energy: -721.232
where: short stacking energy: -334.395
Base-Backbone interact. energy: -0.105
local terms energy: -335.635460
where:
bonds (distance) C4'-P energy: -62.601
bonds (distance) P-C4' energy: -52.892
flat angles C4'-P-C4' energy: -72.247
flat angles P-C4'-P energy: -45.733
tors. eta vs tors. theta energy: -102.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -963.799087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.799087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.799087 (E_RNA)
where:
Base-Base interactions energy: -661.549
where: short stacking energy: -288.541
Base-Backbone interact. energy: -3.175
local terms energy: -299.075230
where:
bonds (distance) C4'-P energy: -54.812
bonds (distance) P-C4' energy: -58.251
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -41.152
tors. eta vs tors. theta energy: -81.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -901.958741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.958741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.958741 (E_RNA)
where:
Base-Base interactions energy: -631.524
where: short stacking energy: -286.270
Base-Backbone interact. energy: -1.660
local terms energy: -268.774681
where:
bonds (distance) C4'-P energy: -56.337
bonds (distance) P-C4' energy: -42.533
flat angles C4'-P-C4' energy: -61.289
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -76.668
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: 5, replica: 8
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -944.635748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.635748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.635748 (E_RNA)
where:
Base-Base interactions energy: -651.050
where: short stacking energy: -294.585
Base-Backbone interact. energy: 1.970
local terms energy: -295.555600
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -62.959
flat angles C4'-P-C4' energy: -66.010
flat angles P-C4'-P energy: -38.481
tors. eta vs tors. theta energy: -80.359
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: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -771.061170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.061170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.061170 (E_RNA)
where:
Base-Base interactions energy: -517.052
where: short stacking energy: -226.031
Base-Backbone interact. energy: -1.812
local terms energy: -252.196868
where:
bonds (distance) C4'-P energy: -54.082
bonds (distance) P-C4' energy: -61.580
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -33.318
tors. eta vs tors. theta energy: -47.728
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: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -644.542285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.542285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.542285 (E_RNA)
where:
Base-Base interactions energy: -411.533
where: short stacking energy: -191.911
Base-Backbone interact. energy: -0.562
local terms energy: -232.447288
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -58.102
flat angles C4'-P-C4' energy: -49.473
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -36.648
Dist. restrs. and SS energy: 0.000 (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: 166
Temperature: 1.250000
Total energy: -596.723668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.723668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.723668 (E_RNA)
where:
Base-Base interactions energy: -373.389
where: short stacking energy: -176.600
Base-Backbone interact. energy: -2.190
local terms energy: -221.144498
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -54.811
flat angles C4'-P-C4' energy: -51.922
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -31.113
Dist. restrs. and SS energy: 0.000 (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: 166
Temperature: 1.300000
Total energy: -509.289725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.289725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.289725 (E_RNA)
where:
Base-Base interactions energy: -293.162
where: short stacking energy: -158.549
Base-Backbone interact. energy: -3.185
local terms energy: -212.942735
where:
bonds (distance) C4'-P energy: -57.306
bonds (distance) P-C4' energy: -49.121
flat angles C4'-P-C4' energy: -46.604
flat angles P-C4'-P energy: -31.918
tors. eta vs tors. theta energy: -27.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -396.408992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.408992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.408992 (E_RNA)
where:
Base-Base interactions energy: -218.519
where: short stacking energy: -108.729
Base-Backbone interact. energy: -1.597
local terms energy: -176.293760
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -52.747
flat angles C4'-P-C4' energy: -43.992
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (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: 167
Temperature: 0.900000
Total energy: -1070.165367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.165367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.165367 (E_RNA)
where:
Base-Base interactions energy: -741.272
where: short stacking energy: -327.288
Base-Backbone interact. energy: 2.191
local terms energy: -331.084338
where:
bonds (distance) C4'-P energy: -56.152
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -66.979
flat angles P-C4'-P energy: -52.761
tors. eta vs tors. theta energy: -96.147
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1045.083630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.083630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.083630 (E_RNA)
where:
Base-Base interactions energy: -731.513
where: short stacking energy: -323.708
Base-Backbone interact. energy: 0.806
local terms energy: -314.376063
where:
bonds (distance) C4'-P energy: -59.956
bonds (distance) P-C4' energy: -48.275
flat angles C4'-P-C4' energy: -68.268
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: -98.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -964.458682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.458682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.458682 (E_RNA)
where:
Base-Base interactions energy: -650.702
where: short stacking energy: -282.443
Base-Backbone interact. energy: 1.840
local terms energy: -315.596435
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -65.791
flat angles C4'-P-C4' energy: -64.858
flat angles P-C4'-P energy: -45.884
tors. eta vs tors. theta energy: -79.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -941.610395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.610395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.610395 (E_RNA)
where:
Base-Base interactions energy: -648.838
where: short stacking energy: -276.307
Base-Backbone interact. energy: -0.499
local terms energy: -292.273420
where:
bonds (distance) C4'-P energy: -67.368
bonds (distance) P-C4' energy: -57.239
flat angles C4'-P-C4' energy: -62.240
flat angles P-C4'-P energy: -33.526
tors. eta vs tors. theta energy: -71.900
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: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -862.704297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.704297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.704297 (E_RNA)
where:
Base-Base interactions energy: -583.222
where: short stacking energy: -251.956
Base-Backbone interact. energy: 0.737
local terms energy: -280.219156
where:
bonds (distance) C4'-P energy: -60.874
bonds (distance) P-C4' energy: -54.379
flat angles C4'-P-C4' energy: -55.764
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: -67.427
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: 6, replica: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -714.691488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.691488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.691488 (E_RNA)
where:
Base-Base interactions energy: -465.573
where: short stacking energy: -218.787
Base-Backbone interact. energy: 3.413
local terms energy: -252.531524
where:
bonds (distance) C4'-P energy: -50.626
bonds (distance) P-C4' energy: -62.627
flat angles C4'-P-C4' energy: -57.335
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -47.699
Dist. restrs. and SS energy: 0.000 (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: 167
Temperature: 1.200000
Total energy: -756.103917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.103917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.103917 (E_RNA)
where:
Base-Base interactions energy: -490.706
where: short stacking energy: -214.774
Base-Backbone interact. energy: -0.805
local terms energy: -264.593820
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -53.521
flat angles C4'-P-C4' energy: -62.064
flat angles P-C4'-P energy: -35.262
tors. eta vs tors. theta energy: -62.881
Dist. restrs. and SS energy: 0.000 (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: 167
Temperature: 1.250000
Total energy: -613.273482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.273482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.273482 (E_RNA)
where:
Base-Base interactions energy: -414.385
where: short stacking energy: -186.677
Base-Backbone interact. energy: -0.732
local terms energy: -198.156214
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -50.003
flat angles C4'-P-C4' energy: -54.197
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -28.937
Dist. restrs. and SS energy: 0.000 (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: 167
Temperature: 1.300000
Total energy: -495.692716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.692716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.692716 (E_RNA)
where:
Base-Base interactions energy: -305.960
where: short stacking energy: -135.188
Base-Backbone interact. energy: 0.380
local terms energy: -190.113080
where:
bonds (distance) C4'-P energy: -46.855
bonds (distance) P-C4' energy: -52.383
flat angles C4'-P-C4' energy: -45.084
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: -17.415
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: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -341.347013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.347013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.347013 (E_RNA)
where:
Base-Base interactions energy: -188.928
where: short stacking energy: -88.384
Base-Backbone interact. energy: 1.262
local terms energy: -153.681673
where:
bonds (distance) C4'-P energy: -49.182
bonds (distance) P-C4' energy: -52.353
flat angles C4'-P-C4' energy: -43.143
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: 3.334
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: 1, replica: 1
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1046.190665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.190665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.190665 (E_RNA)
where:
Base-Base interactions energy: -719.629
where: short stacking energy: -311.319
Base-Backbone interact. energy: -0.292
local terms energy: -326.269414
where:
bonds (distance) C4'-P energy: -61.621
bonds (distance) P-C4' energy: -64.475
flat angles C4'-P-C4' energy: -62.784
flat angles P-C4'-P energy: -50.601
tors. eta vs tors. theta energy: -86.789
Dist. restrs. and SS energy: 0.000 (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: 168
Temperature: 0.950000
Total energy: -1040.602713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.602713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.602713 (E_RNA)
where:
Base-Base interactions energy: -710.127
where: short stacking energy: -315.639
Base-Backbone interact. energy: -2.631
local terms energy: -327.844836
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -67.556
flat angles C4'-P-C4' energy: -64.385
flat angles P-C4'-P energy: -50.504
tors. eta vs tors. theta energy: -90.210
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: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1006.813580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.813580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.813580 (E_RNA)
where:
Base-Base interactions energy: -699.132
where: short stacking energy: -299.822
Base-Backbone interact. energy: -1.369
local terms energy: -306.312720
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -67.097
flat angles C4'-P-C4' energy: -58.641
flat angles P-C4'-P energy: -43.610
tors. eta vs tors. theta energy: -84.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -905.077194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.077194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.077194 (E_RNA)
where:
Base-Base interactions energy: -622.881
where: short stacking energy: -263.184
Base-Backbone interact. energy: 3.178
local terms energy: -285.373899
where:
bonds (distance) C4'-P energy: -64.030
bonds (distance) P-C4' energy: -57.491
flat angles C4'-P-C4' energy: -64.306
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -69.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -866.519004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.519004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.519004 (E_RNA)
where:
Base-Base interactions energy: -577.064
where: short stacking energy: -248.861
Base-Backbone interact. energy: -2.220
local terms energy: -287.235519
where:
bonds (distance) C4'-P energy: -50.445
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -58.549
flat angles P-C4'-P energy: -44.253
tors. eta vs tors. theta energy: -73.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -722.997515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.997515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.997515 (E_RNA)
where:
Base-Base interactions energy: -464.905
where: short stacking energy: -216.637
Base-Backbone interact. energy: -1.440
local terms energy: -256.652684
where:
bonds (distance) C4'-P energy: -50.919
bonds (distance) P-C4' energy: -51.883
flat angles C4'-P-C4' energy: -60.803
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -56.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -785.948174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.948174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.948174 (E_RNA)
where:
Base-Base interactions energy: -524.002
where: short stacking energy: -234.338
Base-Backbone interact. energy: -1.663
local terms energy: -260.283061
where:
bonds (distance) C4'-P energy: -48.342
bonds (distance) P-C4' energy: -52.629
flat angles C4'-P-C4' energy: -58.555
flat angles P-C4'-P energy: -45.521
tors. eta vs tors. theta energy: -55.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -654.746779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.746779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.746779 (E_RNA)
where:
Base-Base interactions energy: -436.013
where: short stacking energy: -204.039
Base-Backbone interact. energy: -0.296
local terms energy: -218.437749
where:
bonds (distance) C4'-P energy: -36.653
bonds (distance) P-C4' energy: -46.461
flat angles C4'-P-C4' energy: -57.439
flat angles P-C4'-P energy: -27.213
tors. eta vs tors. theta energy: -50.672
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: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -472.823625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.823625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.823625 (E_RNA)
where:
Base-Base interactions energy: -285.638
where: short stacking energy: -135.047
Base-Backbone interact. energy: -0.008
local terms energy: -187.177673
where:
bonds (distance) C4'-P energy: -53.630
bonds (distance) P-C4' energy: -42.400
flat angles C4'-P-C4' energy: -46.908
flat angles P-C4'-P energy: -27.307
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -340.868114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.868114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.868114 (E_RNA)
where:
Base-Base interactions energy: -169.132
where: short stacking energy: -118.280
Base-Backbone interact. energy: -0.942
local terms energy: -170.794601
where:
bonds (distance) C4'-P energy: -42.756
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -41.456
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -17.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1037.705708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.705708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.705708 (E_RNA)
where:
Base-Base interactions energy: -725.798
where: short stacking energy: -321.169
Base-Backbone interact. energy: -0.505
local terms energy: -311.402699
where:
bonds (distance) C4'-P energy: -49.993
bonds (distance) P-C4' energy: -55.561
flat angles C4'-P-C4' energy: -67.020
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -95.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1057.849509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.849509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.849509 (E_RNA)
where:
Base-Base interactions energy: -736.439
where: short stacking energy: -332.713
Base-Backbone interact. energy: -0.305
local terms energy: -321.105437
where:
bonds (distance) C4'-P energy: -58.114
bonds (distance) P-C4' energy: -59.885
flat angles C4'-P-C4' energy: -68.577
flat angles P-C4'-P energy: -40.069
tors. eta vs tors. theta energy: -94.461
Dist. restrs. and SS energy: 0.000 (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: 169
Temperature: 1.000000
Total energy: -946.062968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.062968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.062968 (E_RNA)
where:
Base-Base interactions energy: -666.551
where: short stacking energy: -288.803
Base-Backbone interact. energy: -1.383
local terms energy: -278.128971
where:
bonds (distance) C4'-P energy: -48.155
bonds (distance) P-C4' energy: -50.138
flat angles C4'-P-C4' energy: -62.156
flat angles P-C4'-P energy: -39.920
tors. eta vs tors. theta energy: -77.759
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: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -927.158905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.158905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.158905 (E_RNA)
where:
Base-Base interactions energy: -649.454
where: short stacking energy: -270.952
Base-Backbone interact. energy: 0.643
local terms energy: -278.347997
where:
bonds (distance) C4'-P energy: -37.913
bonds (distance) P-C4' energy: -60.437
flat angles C4'-P-C4' energy: -63.780
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -73.068
Dist. restrs. and SS energy: 0.000 (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: 169
Temperature: 1.100000
Total energy: -872.851265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.851265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.851265 (E_RNA)
where:
Base-Base interactions energy: -591.538
where: short stacking energy: -261.035
Base-Backbone interact. energy: -0.462
local terms energy: -280.851256
where:
bonds (distance) C4'-P energy: -59.436
bonds (distance) P-C4' energy: -59.514
flat angles C4'-P-C4' energy: -51.449
flat angles P-C4'-P energy: -39.946
tors. eta vs tors. theta energy: -70.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -763.153447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.153447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.153447 (E_RNA)
where:
Base-Base interactions energy: -481.521
where: short stacking energy: -228.662
Base-Backbone interact. energy: -1.422
local terms energy: -280.211130
where:
bonds (distance) C4'-P energy: -65.035
bonds (distance) P-C4' energy: -58.679
flat angles C4'-P-C4' energy: -52.828
flat angles P-C4'-P energy: -44.215
tors. eta vs tors. theta energy: -59.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -673.638797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.638797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.638797 (E_RNA)
where:
Base-Base interactions energy: -444.339
where: short stacking energy: -200.285
Base-Backbone interact. energy: 5.006
local terms energy: -234.305342
where:
bonds (distance) C4'-P energy: -59.354
bonds (distance) P-C4' energy: -51.953
flat angles C4'-P-C4' energy: -41.961
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -48.898
Dist. restrs. and SS energy: 0.000 (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: 169
Temperature: 1.250000
Total energy: -645.401380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.401380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.401380 (E_RNA)
where:
Base-Base interactions energy: -418.806
where: short stacking energy: -191.565
Base-Backbone interact. energy: -2.688
local terms energy: -223.907578
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -50.484
flat angles C4'-P-C4' energy: -57.863
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -49.719
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: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -485.745407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.745407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.745407 (E_RNA)
where:
Base-Base interactions energy: -288.564
where: short stacking energy: -135.808
Base-Backbone interact. energy: -0.166
local terms energy: -197.015765
where:
bonds (distance) C4'-P energy: -50.969
bonds (distance) P-C4' energy: -57.739
flat angles C4'-P-C4' energy: -48.754
flat angles P-C4'-P energy: -22.347
tors. eta vs tors. theta energy: -17.207
Dist. restrs. and SS energy: 0.000 (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: 169
Temperature: 1.350000
Total energy: -385.872213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.872213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.872213 (E_RNA)
where:
Base-Base interactions energy: -179.020
where: short stacking energy: -112.108
Base-Backbone interact. energy: -0.380
local terms energy: -206.471551
where:
bonds (distance) C4'-P energy: -44.633
bonds (distance) P-C4' energy: -45.005
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -30.280
tors. eta vs tors. theta energy: -23.372
Dist. restrs. and SS energy: 0.000 (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: 170
Temperature: 0.900000
Total energy: -1072.257230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.257230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.257230 (E_RNA)
where:
Base-Base interactions energy: -751.937
where: short stacking energy: -339.551
Base-Backbone interact. energy: -1.410
local terms energy: -318.909864
where:
bonds (distance) C4'-P energy: -53.373
bonds (distance) P-C4' energy: -55.831
flat angles C4'-P-C4' energy: -62.762
flat angles P-C4'-P energy: -49.222
tors. eta vs tors. theta energy: -97.722
Dist. restrs. and SS energy: 0.000 (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: 170
Temperature: 0.950000
Total energy: -1024.893879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.893879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.893879 (E_RNA)
where:
Base-Base interactions energy: -719.866
where: short stacking energy: -321.370
Base-Backbone interact. energy: -0.989
local terms energy: -304.038265
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -70.516
flat angles P-C4'-P energy: -40.241
tors. eta vs tors. theta energy: -86.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -978.992002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.992002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.992002 (E_RNA)
where:
Base-Base interactions energy: -661.476
where: short stacking energy: -282.887
Base-Backbone interact. energy: -0.735
local terms energy: -316.781143
where:
bonds (distance) C4'-P energy: -52.094
bonds (distance) P-C4' energy: -63.500
flat angles C4'-P-C4' energy: -72.123
flat angles P-C4'-P energy: -45.526
tors. eta vs tors. theta energy: -83.538
Dist. restrs. and SS energy: 0.000 (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: 170
Temperature: 1.050000
Total energy: -925.207487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.207487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.207487 (E_RNA)
where:
Base-Base interactions energy: -634.428
where: short stacking energy: -276.392
Base-Backbone interact. energy: -3.380
local terms energy: -287.399315
where:
bonds (distance) C4'-P energy: -44.106
bonds (distance) P-C4' energy: -54.951
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -45.414
tors. eta vs tors. theta energy: -76.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -917.863432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.863432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.863432 (E_RNA)
where:
Base-Base interactions energy: -622.616
where: short stacking energy: -280.534
Base-Backbone interact. energy: -0.410
local terms energy: -294.837105
where:
bonds (distance) C4'-P energy: -48.075
bonds (distance) P-C4' energy: -58.983
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -48.659
tors. eta vs tors. theta energy: -76.309
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: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -747.344845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.344845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.344845 (E_RNA)
where:
Base-Base interactions energy: -511.532
where: short stacking energy: -225.418
Base-Backbone interact. energy: 3.907
local terms energy: -239.719634
where:
bonds (distance) C4'-P energy: -43.838
bonds (distance) P-C4' energy: -53.663
flat angles C4'-P-C4' energy: -55.134
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -59.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -661.362995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.362995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.362995 (E_RNA)
where:
Base-Base interactions energy: -415.870
where: short stacking energy: -196.508
Base-Backbone interact. energy: -2.653
local terms energy: -242.839437
where:
bonds (distance) C4'-P energy: -57.044
bonds (distance) P-C4' energy: -54.566
flat angles C4'-P-C4' energy: -60.098
flat angles P-C4'-P energy: -33.220
tors. eta vs tors. theta energy: -37.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -589.021240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.021240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.021240 (E_RNA)
where:
Base-Base interactions energy: -347.727
where: short stacking energy: -165.692
Base-Backbone interact. energy: -2.121
local terms energy: -239.173088
where:
bonds (distance) C4'-P energy: -53.022
bonds (distance) P-C4' energy: -57.565
flat angles C4'-P-C4' energy: -62.127
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -30.712
Dist. restrs. and SS energy: 0.000 (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: 170
Temperature: 1.300000
Total energy: -488.997022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.997022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.997022 (E_RNA)
where:
Base-Base interactions energy: -274.599
where: short stacking energy: -140.830
Base-Backbone interact. energy: 0.248
local terms energy: -214.646101
where:
bonds (distance) C4'-P energy: -50.665
bonds (distance) P-C4' energy: -59.202
flat angles C4'-P-C4' energy: -54.803
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -28.427
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: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -350.853558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.853558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.853558 (E_RNA)
where:
Base-Base interactions energy: -179.034
where: short stacking energy: -104.312
Base-Backbone interact. energy: 1.096
local terms energy: -172.915609
where:
bonds (distance) C4'-P energy: -52.561
bonds (distance) P-C4' energy: -46.254
flat angles C4'-P-C4' energy: -42.356
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (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: 171
Temperature: 0.900000
Total energy: -1094.025545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.025545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.025545 (E_RNA)
where:
Base-Base interactions energy: -749.468
where: short stacking energy: -345.672
Base-Backbone interact. energy: -0.655
local terms energy: -343.902552
where:
bonds (distance) C4'-P energy: -62.839
bonds (distance) P-C4' energy: -63.288
flat angles C4'-P-C4' energy: -73.343
flat angles P-C4'-P energy: -44.067
tors. eta vs tors. theta energy: -100.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1039.512325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.512325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.512325 (E_RNA)
where:
Base-Base interactions energy: -715.129
where: short stacking energy: -318.506
Base-Backbone interact. energy: -0.261
local terms energy: -324.121819
where:
bonds (distance) C4'-P energy: -59.777
bonds (distance) P-C4' energy: -52.388
flat angles C4'-P-C4' energy: -67.786
flat angles P-C4'-P energy: -47.069
tors. eta vs tors. theta energy: -97.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -972.131383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.131383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.131383 (E_RNA)
where:
Base-Base interactions energy: -662.269
where: short stacking energy: -298.700
Base-Backbone interact. energy: -0.802
local terms energy: -309.060301
where:
bonds (distance) C4'-P energy: -54.994
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -67.679
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -83.709
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: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -940.170978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.170978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.170978 (E_RNA)
where:
Base-Base interactions energy: -646.892
where: short stacking energy: -290.862
Base-Backbone interact. energy: -0.483
local terms energy: -292.796503
where:
bonds (distance) C4'-P energy: -54.636
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -59.580
flat angles P-C4'-P energy: -43.681
tors. eta vs tors. theta energy: -79.174
Dist. restrs. and SS energy: 0.000 (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: 171
Temperature: 1.100000
Total energy: -904.812312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.812312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.812312 (E_RNA)
where:
Base-Base interactions energy: -636.207
where: short stacking energy: -264.778
Base-Backbone interact. energy: 1.491
local terms energy: -270.096183
where:
bonds (distance) C4'-P energy: -47.698
bonds (distance) P-C4' energy: -50.489
flat angles C4'-P-C4' energy: -55.492
flat angles P-C4'-P energy: -46.448
tors. eta vs tors. theta energy: -69.969
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: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -718.757466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.757466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.757466 (E_RNA)
where:
Base-Base interactions energy: -471.011
where: short stacking energy: -223.848
Base-Backbone interact. energy: 0.190
local terms energy: -247.936716
where:
bonds (distance) C4'-P energy: -46.476
bonds (distance) P-C4' energy: -56.414
flat angles C4'-P-C4' energy: -57.472
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -46.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -655.688042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.688042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.688042 (E_RNA)
where:
Base-Base interactions energy: -423.274
where: short stacking energy: -176.765
Base-Backbone interact. energy: -1.556
local terms energy: -230.858040
where:
bonds (distance) C4'-P energy: -58.936
bonds (distance) P-C4' energy: -50.695
flat angles C4'-P-C4' energy: -54.414
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -31.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -586.141412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.141412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.141412 (E_RNA)
where:
Base-Base interactions energy: -371.266
where: short stacking energy: -163.159
Base-Backbone interact. energy: -2.207
local terms energy: -212.668319
where:
bonds (distance) C4'-P energy: -52.168
bonds (distance) P-C4' energy: -49.323
flat angles C4'-P-C4' energy: -60.427
flat angles P-C4'-P energy: -27.401
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -521.691730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.691730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.691730 (E_RNA)
where:
Base-Base interactions energy: -322.390
where: short stacking energy: -176.716
Base-Backbone interact. energy: 0.830
local terms energy: -200.131336
where:
bonds (distance) C4'-P energy: -38.167
bonds (distance) P-C4' energy: -46.233
flat angles C4'-P-C4' energy: -43.466
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -33.043
Dist. restrs. and SS energy: 0.000 (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: 171
Temperature: 1.350000
Total energy: -371.846257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.846257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.846257 (E_RNA)
where:
Base-Base interactions energy: -217.542
where: short stacking energy: -103.304
Base-Backbone interact. energy: -0.928
local terms energy: -153.376445
where:
bonds (distance) C4'-P energy: -41.260
bonds (distance) P-C4' energy: -49.678
flat angles C4'-P-C4' energy: -32.349
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -5.884
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: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1070.444228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.444228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.444228 (E_RNA)
where:
Base-Base interactions energy: -745.346
where: short stacking energy: -334.797
Base-Backbone interact. energy: -1.569
local terms energy: -323.529780
where:
bonds (distance) C4'-P energy: -60.115
bonds (distance) P-C4' energy: -54.351
flat angles C4'-P-C4' energy: -65.750
flat angles P-C4'-P energy: -42.236
tors. eta vs tors. theta energy: -101.078
Dist. restrs. and SS energy: 0.000 (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: 172
Temperature: 0.950000
Total energy: -1037.614345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.614345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.614345 (E_RNA)
where:
Base-Base interactions energy: -711.077
where: short stacking energy: -319.451
Base-Backbone interact. energy: -1.024
local terms energy: -325.513554
where:
bonds (distance) C4'-P energy: -66.097
bonds (distance) P-C4' energy: -57.170
flat angles C4'-P-C4' energy: -61.327
flat angles P-C4'-P energy: -47.723
tors. eta vs tors. theta energy: -93.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -992.392112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.392112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.392112 (E_RNA)
where:
Base-Base interactions energy: -681.331
where: short stacking energy: -306.683
Base-Backbone interact. energy: -0.604
local terms energy: -310.457793
where:
bonds (distance) C4'-P energy: -59.274
bonds (distance) P-C4' energy: -63.791
flat angles C4'-P-C4' energy: -63.584
flat angles P-C4'-P energy: -42.710
tors. eta vs tors. theta energy: -81.099
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: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -925.126688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.126688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.126688 (E_RNA)
where:
Base-Base interactions energy: -657.738
where: short stacking energy: -272.806
Base-Backbone interact. energy: -1.903
local terms energy: -265.485261
where:
bonds (distance) C4'-P energy: -50.596
bonds (distance) P-C4' energy: -40.939
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -67.525
Dist. restrs. and SS energy: 0.000 (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: 172
Temperature: 1.100000
Total energy: -816.070768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.070768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.070768 (E_RNA)
where:
Base-Base interactions energy: -531.746
where: short stacking energy: -245.882
Base-Backbone interact. energy: -0.818
local terms energy: -283.507021
where:
bonds (distance) C4'-P energy: -62.353
bonds (distance) P-C4' energy: -60.788
flat angles C4'-P-C4' energy: -60.483
flat angles P-C4'-P energy: -36.482
tors. eta vs tors. theta energy: -63.401
Dist. restrs. and SS energy: 0.000 (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: 172
Temperature: 1.150000
Total energy: -729.028703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.028703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.028703 (E_RNA)
where:
Base-Base interactions energy: -473.013
where: short stacking energy: -233.593
Base-Backbone interact. energy: -0.401
local terms energy: -255.615084
where:
bonds (distance) C4'-P energy: -53.007
bonds (distance) P-C4' energy: -57.533
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -30.937
tors. eta vs tors. theta energy: -54.387
Dist. restrs. and SS energy: 0.000 (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: 172
Temperature: 1.200000
Total energy: -677.231136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.231136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.231136 (E_RNA)
where:
Base-Base interactions energy: -433.726
where: short stacking energy: -201.157
Base-Backbone interact. energy: 2.791
local terms energy: -246.296133
where:
bonds (distance) C4'-P energy: -45.465
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -56.814
flat angles P-C4'-P energy: -45.704
tors. eta vs tors. theta energy: -45.734
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: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -616.032496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.032496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.032496 (E_RNA)
where:
Base-Base interactions energy: -402.315
where: short stacking energy: -179.985
Base-Backbone interact. energy: -1.400
local terms energy: -212.317459
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -52.151
flat angles C4'-P-C4' energy: -55.174
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -38.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -497.479384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.479384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.479384 (E_RNA)
where:
Base-Base interactions energy: -293.577
where: short stacking energy: -146.162
Base-Backbone interact. energy: -0.135
local terms energy: -203.766499
where:
bonds (distance) C4'-P energy: -46.039
bonds (distance) P-C4' energy: -54.678
flat angles C4'-P-C4' energy: -50.034
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -389.034725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.034725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.034725 (E_RNA)
where:
Base-Base interactions energy: -220.837
where: short stacking energy: -116.268
Base-Backbone interact. energy: 0.527
local terms energy: -168.724640
where:
bonds (distance) C4'-P energy: -38.650
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -45.472
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -7.513
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: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1082.826155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.826155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.826155 (E_RNA)
where:
Base-Base interactions energy: -747.548
where: short stacking energy: -324.398
Base-Backbone interact. energy: 1.011
local terms energy: -336.289399
where:
bonds (distance) C4'-P energy: -62.653
bonds (distance) P-C4' energy: -56.134
flat angles C4'-P-C4' energy: -70.281
flat angles P-C4'-P energy: -50.944
tors. eta vs tors. theta energy: -96.277
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: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1047.964221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.964221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.964221 (E_RNA)
where:
Base-Base interactions energy: -716.713
where: short stacking energy: -317.376
Base-Backbone interact. energy: 0.095
local terms energy: -331.346271
where:
bonds (distance) C4'-P energy: -46.529
bonds (distance) P-C4' energy: -64.734
flat angles C4'-P-C4' energy: -72.355
flat angles P-C4'-P energy: -48.943
tors. eta vs tors. theta energy: -98.785
Dist. restrs. and SS energy: 0.000 (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: 173
Temperature: 1.000000
Total energy: -982.457980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.457980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.457980 (E_RNA)
where:
Base-Base interactions energy: -664.258
where: short stacking energy: -286.443
Base-Backbone interact. energy: -0.955
local terms energy: -317.244527
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -59.958
flat angles C4'-P-C4' energy: -71.138
flat angles P-C4'-P energy: -43.275
tors. eta vs tors. theta energy: -83.623
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: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -964.412883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.412883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.412883 (E_RNA)
where:
Base-Base interactions energy: -695.859
where: short stacking energy: -288.191
Base-Backbone interact. energy: -0.152
local terms energy: -268.401930
where:
bonds (distance) C4'-P energy: -46.112
bonds (distance) P-C4' energy: -53.711
flat angles C4'-P-C4' energy: -59.230
flat angles P-C4'-P energy: -36.845
tors. eta vs tors. theta energy: -72.503
Dist. restrs. and SS energy: 0.000 (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: 173
Temperature: 1.100000
Total energy: -841.220098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.220098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.220098 (E_RNA)
where:
Base-Base interactions energy: -550.705
where: short stacking energy: -243.045
Base-Backbone interact. energy: -1.408
local terms energy: -289.106843
where:
bonds (distance) C4'-P energy: -55.151
bonds (distance) P-C4' energy: -61.395
flat angles C4'-P-C4' energy: -62.154
flat angles P-C4'-P energy: -46.820
tors. eta vs tors. theta energy: -63.587
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: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -672.539567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.539567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.539567 (E_RNA)
where:
Base-Base interactions energy: -413.275
where: short stacking energy: -200.436
Base-Backbone interact. energy: -2.129
local terms energy: -257.135934
where:
bonds (distance) C4'-P energy: -57.469
bonds (distance) P-C4' energy: -56.593
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -49.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -719.238646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.238646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.238646 (E_RNA)
where:
Base-Base interactions energy: -491.887
where: short stacking energy: -232.796
Base-Backbone interact. energy: -0.545
local terms energy: -226.806526
where:
bonds (distance) C4'-P energy: -56.698
bonds (distance) P-C4' energy: -54.572
flat angles C4'-P-C4' energy: -44.126
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -43.253
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: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -631.053497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.053497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.053497 (E_RNA)
where:
Base-Base interactions energy: -406.541
where: short stacking energy: -165.576
Base-Backbone interact. energy: -0.468
local terms energy: -224.045074
where:
bonds (distance) C4'-P energy: -56.737
bonds (distance) P-C4' energy: -61.416
flat angles C4'-P-C4' energy: -56.187
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -36.727
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: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -508.640077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.640077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.640077 (E_RNA)
where:
Base-Base interactions energy: -305.962
where: short stacking energy: -142.583
Base-Backbone interact. energy: 0.837
local terms energy: -203.515195
where:
bonds (distance) C4'-P energy: -58.436
bonds (distance) P-C4' energy: -47.904
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: -24.285
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: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -466.819178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.819178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.819178 (E_RNA)
where:
Base-Base interactions energy: -265.196
where: short stacking energy: -140.939
Base-Backbone interact. energy: -0.525
local terms energy: -201.098643
where:
bonds (distance) C4'-P energy: -48.938
bonds (distance) P-C4' energy: -53.711
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -36.302
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1067.976161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.976161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.976161 (E_RNA)
where:
Base-Base interactions energy: -731.432
where: short stacking energy: -327.474
Base-Backbone interact. energy: 0.196
local terms energy: -336.739652
where:
bonds (distance) C4'-P energy: -60.486
bonds (distance) P-C4' energy: -54.802
flat angles C4'-P-C4' energy: -69.110
flat angles P-C4'-P energy: -56.897
tors. eta vs tors. theta energy: -95.445
Dist. restrs. and SS energy: 0.000 (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: 174
Temperature: 0.950000
Total energy: -1056.964461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.964461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.964461 (E_RNA)
where:
Base-Base interactions energy: -718.556
where: short stacking energy: -349.200
Base-Backbone interact. energy: -1.026
local terms energy: -337.382328
where:
bonds (distance) C4'-P energy: -56.321
bonds (distance) P-C4' energy: -64.040
flat angles C4'-P-C4' energy: -66.488
flat angles P-C4'-P energy: -47.605
tors. eta vs tors. theta energy: -102.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -976.512077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.512077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.512077 (E_RNA)
where:
Base-Base interactions energy: -657.742
where: short stacking energy: -282.327
Base-Backbone interact. energy: -1.977
local terms energy: -316.793157
where:
bonds (distance) C4'-P energy: -56.921
bonds (distance) P-C4' energy: -64.951
flat angles C4'-P-C4' energy: -70.700
flat angles P-C4'-P energy: -43.289
tors. eta vs tors. theta energy: -80.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -937.426342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.426342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.426342 (E_RNA)
where:
Base-Base interactions energy: -644.021
where: short stacking energy: -289.387
Base-Backbone interact. energy: -2.025
local terms energy: -291.380480
where:
bonds (distance) C4'-P energy: -43.465
bonds (distance) P-C4' energy: -54.457
flat angles C4'-P-C4' energy: -64.507
flat angles P-C4'-P energy: -46.899
tors. eta vs tors. theta energy: -82.054
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: 5, replica: 2
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -853.454321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.454321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.454321 (E_RNA)
where:
Base-Base interactions energy: -584.256
where: short stacking energy: -243.836
Base-Backbone interact. energy: -1.715
local terms energy: -267.483559
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -57.724
flat angles C4'-P-C4' energy: -53.594
flat angles P-C4'-P energy: -41.348
tors. eta vs tors. theta energy: -65.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -667.331417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.331417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.331417 (E_RNA)
where:
Base-Base interactions energy: -424.306
where: short stacking energy: -187.810
Base-Backbone interact. energy: -1.873
local terms energy: -241.152491
where:
bonds (distance) C4'-P energy: -57.961
bonds (distance) P-C4' energy: -56.108
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -31.512
tors. eta vs tors. theta energy: -38.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -716.917111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.917111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.917111 (E_RNA)
where:
Base-Base interactions energy: -487.558
where: short stacking energy: -221.714
Base-Backbone interact. energy: 1.108
local terms energy: -230.466827
where:
bonds (distance) C4'-P energy: -49.586
bonds (distance) P-C4' energy: -54.576
flat angles C4'-P-C4' energy: -52.387
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -47.062
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: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -629.689632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.689632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.689632 (E_RNA)
where:
Base-Base interactions energy: -402.829
where: short stacking energy: -185.683
Base-Backbone interact. energy: 0.976
local terms energy: -227.836513
where:
bonds (distance) C4'-P energy: -46.349
bonds (distance) P-C4' energy: -59.821
flat angles C4'-P-C4' energy: -50.555
flat angles P-C4'-P energy: -38.603
tors. eta vs tors. theta energy: -32.508
Dist. restrs. and SS energy: 0.000 (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: 174
Temperature: 1.300000
Total energy: -497.941469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.941469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.941469 (E_RNA)
where:
Base-Base interactions energy: -294.892
where: short stacking energy: -155.291
Base-Backbone interact. energy: -1.340
local terms energy: -201.710069
where:
bonds (distance) C4'-P energy: -41.415
bonds (distance) P-C4' energy: -58.376
flat angles C4'-P-C4' energy: -37.512
flat angles P-C4'-P energy: -29.875
tors. eta vs tors. theta energy: -34.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -451.832291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.832291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.832291 (E_RNA)
where:
Base-Base interactions energy: -234.542
where: short stacking energy: -105.413
Base-Backbone interact. energy: -0.202
local terms energy: -217.087892
where:
bonds (distance) C4'-P energy: -58.945
bonds (distance) P-C4' energy: -61.651
flat angles C4'-P-C4' energy: -46.416
flat angles P-C4'-P energy: -31.966
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1080.759576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.759576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.759576 (E_RNA)
where:
Base-Base interactions energy: -737.092
where: short stacking energy: -321.536
Base-Backbone interact. energy: -0.800
local terms energy: -342.867369
where:
bonds (distance) C4'-P energy: -64.864
bonds (distance) P-C4' energy: -62.818
flat angles C4'-P-C4' energy: -73.863
flat angles P-C4'-P energy: -45.922
tors. eta vs tors. theta energy: -95.400
Dist. restrs. and SS energy: 0.000 (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: 175
Temperature: 0.950000
Total energy: -1059.484142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.484142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.484142 (E_RNA)
where:
Base-Base interactions energy: -743.546
where: short stacking energy: -341.660
Base-Backbone interact. energy: -1.358
local terms energy: -314.580260
where:
bonds (distance) C4'-P energy: -55.119
bonds (distance) P-C4' energy: -43.427
flat angles C4'-P-C4' energy: -72.773
flat angles P-C4'-P energy: -42.129
tors. eta vs tors. theta energy: -101.132
Dist. restrs. and SS energy: 0.000 (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: 175
Temperature: 1.000000
Total energy: -993.832473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.832473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.832473 (E_RNA)
where:
Base-Base interactions energy: -687.235
where: short stacking energy: -311.980
Base-Backbone interact. energy: -0.282
local terms energy: -306.315299
where:
bonds (distance) C4'-P energy: -50.558
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -65.849
flat angles P-C4'-P energy: -35.291
tors. eta vs tors. theta energy: -88.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -975.597426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.597426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.597426 (E_RNA)
where:
Base-Base interactions energy: -694.899
where: short stacking energy: -294.386
Base-Backbone interact. energy: 0.651
local terms energy: -281.349951
where:
bonds (distance) C4'-P energy: -51.438
bonds (distance) P-C4' energy: -54.177
flat angles C4'-P-C4' energy: -63.115
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -76.068
Dist. restrs. and SS energy: 0.000 (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: 175
Temperature: 1.100000
Total energy: -865.540651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.540651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.540651 (E_RNA)
where:
Base-Base interactions energy: -597.772
where: short stacking energy: -265.104
Base-Backbone interact. energy: 3.160
local terms energy: -270.929002
where:
bonds (distance) C4'-P energy: -53.023
bonds (distance) P-C4' energy: -50.805
flat angles C4'-P-C4' energy: -58.277
flat angles P-C4'-P energy: -36.413
tors. eta vs tors. theta energy: -72.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -708.262265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.262265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.262265 (E_RNA)
where:
Base-Base interactions energy: -479.165
where: short stacking energy: -225.510
Base-Backbone interact. energy: -0.910
local terms energy: -228.187504
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -44.361
flat angles C4'-P-C4' energy: -60.939
flat angles P-C4'-P energy: -28.968
tors. eta vs tors. theta energy: -46.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -667.414998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.414998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.414998 (E_RNA)
where:
Base-Base interactions energy: -431.275
where: short stacking energy: -179.565
Base-Backbone interact. energy: -1.383
local terms energy: -234.756210
where:
bonds (distance) C4'-P energy: -48.232
bonds (distance) P-C4' energy: -53.389
flat angles C4'-P-C4' energy: -57.341
flat angles P-C4'-P energy: -32.453
tors. eta vs tors. theta energy: -43.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -611.987635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.987635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.987635 (E_RNA)
where:
Base-Base interactions energy: -388.964
where: short stacking energy: -177.889
Base-Backbone interact. energy: -0.356
local terms energy: -222.667851
where:
bonds (distance) C4'-P energy: -51.444
bonds (distance) P-C4' energy: -53.836
flat angles C4'-P-C4' energy: -52.366
flat angles P-C4'-P energy: -35.858
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -461.000061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.000061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.000061 (E_RNA)
where:
Base-Base interactions energy: -278.375
where: short stacking energy: -151.040
Base-Backbone interact. energy: 1.568
local terms energy: -184.192693
where:
bonds (distance) C4'-P energy: -40.177
bonds (distance) P-C4' energy: -45.361
flat angles C4'-P-C4' energy: -44.574
flat angles P-C4'-P energy: -35.912
tors. eta vs tors. theta energy: -18.168
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: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -455.468613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.468613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.468613 (E_RNA)
where:
Base-Base interactions energy: -272.922
where: short stacking energy: -146.934
Base-Backbone interact. energy: -0.273
local terms energy: -182.273293
where:
bonds (distance) C4'-P energy: -41.104
bonds (distance) P-C4' energy: -49.847
flat angles C4'-P-C4' energy: -45.905
flat angles P-C4'-P energy: -19.578
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: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1100.988375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.988375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.988375 (E_RNA)
where:
Base-Base interactions energy: -764.527
where: short stacking energy: -343.205
Base-Backbone interact. energy: -1.382
local terms energy: -335.078852
where:
bonds (distance) C4'-P energy: -62.151
bonds (distance) P-C4' energy: -52.486
flat angles C4'-P-C4' energy: -71.859
flat angles P-C4'-P energy: -45.935
tors. eta vs tors. theta energy: -102.649
Dist. restrs. and SS energy: 0.000 (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: 176
Temperature: 0.950000
Total energy: -1069.618880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.618880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.618880 (E_RNA)
where:
Base-Base interactions energy: -746.894
where: short stacking energy: -335.321
Base-Backbone interact. energy: -1.195
local terms energy: -321.530131
where:
bonds (distance) C4'-P energy: -56.019
bonds (distance) P-C4' energy: -63.753
flat angles C4'-P-C4' energy: -68.589
flat angles P-C4'-P energy: -40.396
tors. eta vs tors. theta energy: -92.772
Dist. restrs. and SS energy: 0.000 (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: 176
Temperature: 1.000000
Total energy: -999.488738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.488738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.488738 (E_RNA)
where:
Base-Base interactions energy: -686.919
where: short stacking energy: -299.366
Base-Backbone interact. energy: -0.282
local terms energy: -312.287480
where:
bonds (distance) C4'-P energy: -53.365
bonds (distance) P-C4' energy: -63.362
flat angles C4'-P-C4' energy: -64.590
flat angles P-C4'-P energy: -42.490
tors. eta vs tors. theta energy: -88.481
Dist. restrs. and SS energy: 0.000 (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: 176
Temperature: 1.050000
Total energy: -953.039293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.039293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.039293 (E_RNA)
where:
Base-Base interactions energy: -660.025
where: short stacking energy: -273.562
Base-Backbone interact. energy: -0.055
local terms energy: -292.959211
where:
bonds (distance) C4'-P energy: -51.749
bonds (distance) P-C4' energy: -67.751
flat angles C4'-P-C4' energy: -56.546
flat angles P-C4'-P energy: -47.359
tors. eta vs tors. theta energy: -69.554
Dist. restrs. and SS energy: 0.000 (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: 176
Temperature: 1.100000
Total energy: -824.148546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.148546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.148546 (E_RNA)
where:
Base-Base interactions energy: -553.069
where: short stacking energy: -251.482
Base-Backbone interact. energy: 3.940
local terms energy: -275.019795
where:
bonds (distance) C4'-P energy: -49.205
bonds (distance) P-C4' energy: -53.644
flat angles C4'-P-C4' energy: -60.995
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -65.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -720.482412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.482412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.482412 (E_RNA)
where:
Base-Base interactions energy: -460.315
where: short stacking energy: -215.331
Base-Backbone interact. energy: -1.268
local terms energy: -258.898754
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -56.350
flat angles C4'-P-C4' energy: -54.434
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -51.144
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: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -681.010921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.010921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.010921 (E_RNA)
where:
Base-Base interactions energy: -442.400
where: short stacking energy: -216.497
Base-Backbone interact. energy: 0.195
local terms energy: -238.805286
where:
bonds (distance) C4'-P energy: -54.722
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -58.209
flat angles P-C4'-P energy: -32.543
tors. eta vs tors. theta energy: -47.081
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: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -612.790459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.790459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.790459 (E_RNA)
where:
Base-Base interactions energy: -388.369
where: short stacking energy: -168.084
Base-Backbone interact. energy: -0.579
local terms energy: -223.842404
where:
bonds (distance) C4'-P energy: -46.474
bonds (distance) P-C4' energy: -59.585
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -25.434
tors. eta vs tors. theta energy: -41.784
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: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -526.744452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.744452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.744452 (E_RNA)
where:
Base-Base interactions energy: -332.520
where: short stacking energy: -156.740
Base-Backbone interact. energy: -0.258
local terms energy: -193.965941
where:
bonds (distance) C4'-P energy: -48.539
bonds (distance) P-C4' energy: -48.468
flat angles C4'-P-C4' energy: -40.450
flat angles P-C4'-P energy: -29.389
tors. eta vs tors. theta energy: -27.120
Dist. restrs. and SS energy: 0.000 (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: 176
Temperature: 1.350000
Total energy: -463.467699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.467699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.467699 (E_RNA)
where:
Base-Base interactions energy: -275.836
where: short stacking energy: -141.154
Base-Backbone interact. energy: -0.669
local terms energy: -186.962389
where:
bonds (distance) C4'-P energy: -48.984
bonds (distance) P-C4' energy: -51.330
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -31.868
tors. eta vs tors. theta energy: -17.999
Dist. restrs. and SS energy: 0.000 (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: 177
Temperature: 0.900000
Total energy: -1096.363349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.363349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.363349 (E_RNA)
where:
Base-Base interactions energy: -746.955
where: short stacking energy: -343.019
Base-Backbone interact. energy: -0.086
local terms energy: -349.322851
where:
bonds (distance) C4'-P energy: -59.133
bonds (distance) P-C4' energy: -62.065
flat angles C4'-P-C4' energy: -74.885
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -100.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1062.868710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.868710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.868710 (E_RNA)
where:
Base-Base interactions energy: -723.291
where: short stacking energy: -321.424
Base-Backbone interact. energy: -0.067
local terms energy: -339.511688
where:
bonds (distance) C4'-P energy: -66.904
bonds (distance) P-C4' energy: -62.647
flat angles C4'-P-C4' energy: -68.742
flat angles P-C4'-P energy: -44.867
tors. eta vs tors. theta energy: -96.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -982.985639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.985639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.985639 (E_RNA)
where:
Base-Base interactions energy: -670.948
where: short stacking energy: -298.493
Base-Backbone interact. energy: -0.214
local terms energy: -311.823823
where:
bonds (distance) C4'-P energy: -59.715
bonds (distance) P-C4' energy: -54.852
flat angles C4'-P-C4' energy: -58.392
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -88.581
Dist. restrs. and SS energy: 0.000 (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: 177
Temperature: 1.050000
Total energy: -976.209232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.209232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.209232 (E_RNA)
where:
Base-Base interactions energy: -677.571
where: short stacking energy: -297.232
Base-Backbone interact. energy: -1.207
local terms energy: -297.431243
where:
bonds (distance) C4'-P energy: -56.562
bonds (distance) P-C4' energy: -50.624
flat angles C4'-P-C4' energy: -65.827
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -79.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -843.169273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.169273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.169273 (E_RNA)
where:
Base-Base interactions energy: -566.579
where: short stacking energy: -244.480
Base-Backbone interact. energy: 0.124
local terms energy: -276.714052
where:
bonds (distance) C4'-P energy: -53.071
bonds (distance) P-C4' energy: -57.631
flat angles C4'-P-C4' energy: -60.559
flat angles P-C4'-P energy: -42.629
tors. eta vs tors. theta energy: -62.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -699.174832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.174832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.174832 (E_RNA)
where:
Base-Base interactions energy: -436.859
where: short stacking energy: -208.971
Base-Backbone interact. energy: 0.444
local terms energy: -262.759825
where:
bonds (distance) C4'-P energy: -53.579
bonds (distance) P-C4' energy: -55.843
flat angles C4'-P-C4' energy: -65.488
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -50.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -665.358216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.358216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.358216 (E_RNA)
where:
Base-Base interactions energy: -414.962
where: short stacking energy: -195.772
Base-Backbone interact. energy: -1.425
local terms energy: -248.971744
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -31.705
tors. eta vs tors. theta energy: -45.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -614.533934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.533934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.533934 (E_RNA)
where:
Base-Base interactions energy: -370.308
where: short stacking energy: -171.199
Base-Backbone interact. energy: -1.309
local terms energy: -242.916753
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -54.268
flat angles C4'-P-C4' energy: -53.593
flat angles P-C4'-P energy: -39.684
tors. eta vs tors. theta energy: -42.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -532.073683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.073683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.073683 (E_RNA)
where:
Base-Base interactions energy: -334.041
where: short stacking energy: -165.033
Base-Backbone interact. energy: 0.692
local terms energy: -198.724806
where:
bonds (distance) C4'-P energy: -43.649
bonds (distance) P-C4' energy: -50.495
flat angles C4'-P-C4' energy: -53.328
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (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: 177
Temperature: 1.350000
Total energy: -460.334868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.334868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.334868 (E_RNA)
where:
Base-Base interactions energy: -274.660
where: short stacking energy: -118.693
Base-Backbone interact. energy: -1.083
local terms energy: -184.592149
where:
bonds (distance) C4'-P energy: -50.219
bonds (distance) P-C4' energy: -42.920
flat angles C4'-P-C4' energy: -51.010
flat angles P-C4'-P energy: -24.378
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1100.592667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.592667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.592667 (E_RNA)
where:
Base-Base interactions energy: -764.391
where: short stacking energy: -346.604
Base-Backbone interact. energy: -1.434
local terms energy: -334.766975
where:
bonds (distance) C4'-P energy: -60.799
bonds (distance) P-C4' energy: -56.114
flat angles C4'-P-C4' energy: -70.993
flat angles P-C4'-P energy: -45.190
tors. eta vs tors. theta energy: -101.671
Dist. restrs. and SS energy: 0.000 (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: 178
Temperature: 0.950000
Total energy: -1032.022551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.022551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.022551 (E_RNA)
where:
Base-Base interactions energy: -707.422
where: short stacking energy: -318.453
Base-Backbone interact. energy: -0.651
local terms energy: -323.949603
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -54.486
flat angles C4'-P-C4' energy: -73.406
flat angles P-C4'-P energy: -42.242
tors. eta vs tors. theta energy: -93.906
Dist. restrs. and SS energy: 0.000 (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: 178
Temperature: 1.000000
Total energy: -988.478564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.478564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.478564 (E_RNA)
where:
Base-Base interactions energy: -690.996
where: short stacking energy: -293.602
Base-Backbone interact. energy: 0.163
local terms energy: -297.645350
where:
bonds (distance) C4'-P energy: -61.866
bonds (distance) P-C4' energy: -56.182
flat angles C4'-P-C4' energy: -62.746
flat angles P-C4'-P energy: -37.228
tors. eta vs tors. theta energy: -79.624
Dist. restrs. and SS energy: 0.000 (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: 178
Temperature: 1.050000
Total energy: -977.693239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.693239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.693239 (E_RNA)
where:
Base-Base interactions energy: -673.360
where: short stacking energy: -292.992
Base-Backbone interact. energy: -0.828
local terms energy: -303.504995
where:
bonds (distance) C4'-P energy: -50.002
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -62.289
flat angles P-C4'-P energy: -48.917
tors. eta vs tors. theta energy: -88.055
Dist. restrs. and SS energy: 0.000 (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: 178
Temperature: 1.100000
Total energy: -872.385525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.385525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.385525 (E_RNA)
where:
Base-Base interactions energy: -577.147
where: short stacking energy: -265.415
Base-Backbone interact. energy: -0.122
local terms energy: -295.116317
where:
bonds (distance) C4'-P energy: -55.170
bonds (distance) P-C4' energy: -54.464
flat angles C4'-P-C4' energy: -67.040
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -74.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -727.311368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.311368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.311368 (E_RNA)
where:
Base-Base interactions energy: -473.774
where: short stacking energy: -217.366
Base-Backbone interact. energy: -2.794
local terms energy: -250.743383
where:
bonds (distance) C4'-P energy: -46.975
bonds (distance) P-C4' energy: -48.042
flat angles C4'-P-C4' energy: -56.743
flat angles P-C4'-P energy: -40.237
tors. eta vs tors. theta energy: -58.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -687.044954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.044954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.044954 (E_RNA)
where:
Base-Base interactions energy: -433.211
where: short stacking energy: -203.616
Base-Backbone interact. energy: -2.566
local terms energy: -251.267797
where:
bonds (distance) C4'-P energy: -54.735
bonds (distance) P-C4' energy: -57.368
flat angles C4'-P-C4' energy: -50.237
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -55.892
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: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -630.647846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.647846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.647846 (E_RNA)
where:
Base-Base interactions energy: -412.514
where: short stacking energy: -181.049
Base-Backbone interact. energy: 0.016
local terms energy: -218.149811
where:
bonds (distance) C4'-P energy: -44.590
bonds (distance) P-C4' energy: -50.172
flat angles C4'-P-C4' energy: -46.221
flat angles P-C4'-P energy: -37.986
tors. eta vs tors. theta energy: -39.181
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: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -567.105595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.105595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.105595 (E_RNA)
where:
Base-Base interactions energy: -356.322
where: short stacking energy: -160.644
Base-Backbone interact. energy: 0.255
local terms energy: -211.038510
where:
bonds (distance) C4'-P energy: -54.321
bonds (distance) P-C4' energy: -54.230
flat angles C4'-P-C4' energy: -41.388
flat angles P-C4'-P energy: -25.243
tors. eta vs tors. theta energy: -35.857
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: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -449.391327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.391327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.391327 (E_RNA)
where:
Base-Base interactions energy: -270.879
where: short stacking energy: -131.891
Base-Backbone interact. energy: 1.459
local terms energy: -179.970821
where:
bonds (distance) C4'-P energy: -56.643
bonds (distance) P-C4' energy: -44.491
flat angles C4'-P-C4' energy: -35.377
flat angles P-C4'-P energy: -31.446
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1071.565253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.565253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.565253 (E_RNA)
where:
Base-Base interactions energy: -723.604
where: short stacking energy: -319.159
Base-Backbone interact. energy: -0.096
local terms energy: -347.865802
where:
bonds (distance) C4'-P energy: -68.890
bonds (distance) P-C4' energy: -59.903
flat angles C4'-P-C4' energy: -71.364
flat angles P-C4'-P energy: -51.135
tors. eta vs tors. theta energy: -96.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1025.226771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.226771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.226771 (E_RNA)
where:
Base-Base interactions energy: -694.317
where: short stacking energy: -309.827
Base-Backbone interact. energy: -0.978
local terms energy: -329.931860
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -61.401
flat angles C4'-P-C4' energy: -73.063
flat angles P-C4'-P energy: -48.885
tors. eta vs tors. theta energy: -91.786
Dist. restrs. and SS energy: 0.000 (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: 179
Temperature: 1.000000
Total energy: -983.425219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.425219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.425219 (E_RNA)
where:
Base-Base interactions energy: -667.865
where: short stacking energy: -292.473
Base-Backbone interact. energy: -1.686
local terms energy: -313.874418
where:
bonds (distance) C4'-P energy: -60.329
bonds (distance) P-C4' energy: -63.729
flat angles C4'-P-C4' energy: -61.593
flat angles P-C4'-P energy: -47.256
tors. eta vs tors. theta energy: -80.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -969.038449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.038449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.038449 (E_RNA)
where:
Base-Base interactions energy: -666.513
where: short stacking energy: -276.098
Base-Backbone interact. energy: -0.237
local terms energy: -302.288128
where:
bonds (distance) C4'-P energy: -57.618
bonds (distance) P-C4' energy: -62.903
flat angles C4'-P-C4' energy: -66.975
flat angles P-C4'-P energy: -37.985
tors. eta vs tors. theta energy: -76.808
Dist. restrs. and SS energy: 0.000 (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: 179
Temperature: 1.100000
Total energy: -880.850472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.850472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.850472 (E_RNA)
where:
Base-Base interactions energy: -597.080
where: short stacking energy: -265.310
Base-Backbone interact. energy: -0.123
local terms energy: -283.646792
where:
bonds (distance) C4'-P energy: -44.460
bonds (distance) P-C4' energy: -49.130
flat angles C4'-P-C4' energy: -65.634
flat angles P-C4'-P energy: -44.970
tors. eta vs tors. theta energy: -79.453
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: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -732.744884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.744884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.744884 (E_RNA)
where:
Base-Base interactions energy: -462.917
where: short stacking energy: -205.273
Base-Backbone interact. energy: -1.504
local terms energy: -268.323419
where:
bonds (distance) C4'-P energy: -47.167
bonds (distance) P-C4' energy: -60.403
flat angles C4'-P-C4' energy: -63.672
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -54.861
Dist. restrs. and SS energy: 0.000 (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: 179
Temperature: 1.200000
Total energy: -642.542639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.542639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.542639 (E_RNA)
where:
Base-Base interactions energy: -394.346
where: short stacking energy: -170.400
Base-Backbone interact. energy: -0.797
local terms energy: -247.399730
where:
bonds (distance) C4'-P energy: -64.938
bonds (distance) P-C4' energy: -68.009
flat angles C4'-P-C4' energy: -59.833
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -34.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -654.739195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.739195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.739195 (E_RNA)
where:
Base-Base interactions energy: -426.375
where: short stacking energy: -195.936
Base-Backbone interact. energy: -0.454
local terms energy: -227.910134
where:
bonds (distance) C4'-P energy: -42.143
bonds (distance) P-C4' energy: -53.731
flat angles C4'-P-C4' energy: -51.798
flat angles P-C4'-P energy: -37.302
tors. eta vs tors. theta energy: -42.936
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: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -623.594559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.594559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.594559 (E_RNA)
where:
Base-Base interactions energy: -412.314
where: short stacking energy: -193.977
Base-Backbone interact. energy: -2.181
local terms energy: -209.099465
where:
bonds (distance) C4'-P energy: -43.939
bonds (distance) P-C4' energy: -50.291
flat angles C4'-P-C4' energy: -46.350
flat angles P-C4'-P energy: -30.460
tors. eta vs tors. theta energy: -38.059
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: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -461.539171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.539171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.539171 (E_RNA)
where:
Base-Base interactions energy: -261.422
where: short stacking energy: -133.211
Base-Backbone interact. energy: -0.574
local terms energy: -199.543741
where:
bonds (distance) C4'-P energy: -44.629
bonds (distance) P-C4' energy: -52.649
flat angles C4'-P-C4' energy: -47.493
flat angles P-C4'-P energy: -40.792
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (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: 180
Temperature: 0.900000
Total energy: -1088.864629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.864629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.864629 (E_RNA)
where:
Base-Base interactions energy: -745.809
where: short stacking energy: -342.763
Base-Backbone interact. energy: -0.200
local terms energy: -342.856018
where:
bonds (distance) C4'-P energy: -64.383
bonds (distance) P-C4' energy: -57.701
flat angles C4'-P-C4' energy: -73.176
flat angles P-C4'-P energy: -45.813
tors. eta vs tors. theta energy: -101.782
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: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1035.229580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.229580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.229580 (E_RNA)
where:
Base-Base interactions energy: -709.348
where: short stacking energy: -297.388
Base-Backbone interact. energy: -0.610
local terms energy: -325.271130
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -59.195
flat angles C4'-P-C4' energy: -68.867
flat angles P-C4'-P energy: -42.873
tors. eta vs tors. theta energy: -90.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -986.748872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.748872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.748872 (E_RNA)
where:
Base-Base interactions energy: -672.603
where: short stacking energy: -291.654
Base-Backbone interact. energy: -2.114
local terms energy: -312.032185
where:
bonds (distance) C4'-P energy: -58.508
bonds (distance) P-C4' energy: -54.465
flat angles C4'-P-C4' energy: -66.412
flat angles P-C4'-P energy: -47.739
tors. eta vs tors. theta energy: -84.907
Dist. restrs. and SS energy: 0.000 (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: 180
Temperature: 1.050000
Total energy: -960.856116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.856116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.856116 (E_RNA)
where:
Base-Base interactions energy: -665.119
where: short stacking energy: -274.030
Base-Backbone interact. energy: 0.889
local terms energy: -296.626610
where:
bonds (distance) C4'-P energy: -46.831
bonds (distance) P-C4' energy: -50.491
flat angles C4'-P-C4' energy: -68.252
flat angles P-C4'-P energy: -47.476
tors. eta vs tors. theta energy: -83.576
Dist. restrs. and SS energy: 0.000 (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: 180
Temperature: 1.100000
Total energy: -862.461863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.461863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.461863 (E_RNA)
where:
Base-Base interactions energy: -572.362
where: short stacking energy: -247.985
Base-Backbone interact. energy: -0.613
local terms energy: -289.486936
where:
bonds (distance) C4'-P energy: -56.823
bonds (distance) P-C4' energy: -50.539
flat angles C4'-P-C4' energy: -64.465
flat angles P-C4'-P energy: -48.791
tors. eta vs tors. theta energy: -68.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -755.013310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.013310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.013310 (E_RNA)
where:
Base-Base interactions energy: -491.522
where: short stacking energy: -211.586
Base-Backbone interact. energy: -3.346
local terms energy: -260.145712
where:
bonds (distance) C4'-P energy: -57.308
bonds (distance) P-C4' energy: -57.031
flat angles C4'-P-C4' energy: -54.728
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -57.508
Dist. restrs. and SS energy: 0.000 (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: 180
Temperature: 1.200000
Total energy: -662.482355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.482355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.482355 (E_RNA)
where:
Base-Base interactions energy: -435.096
where: short stacking energy: -171.793
Base-Backbone interact. energy: -0.369
local terms energy: -227.016698
where:
bonds (distance) C4'-P energy: -38.342
bonds (distance) P-C4' energy: -61.072
flat angles C4'-P-C4' energy: -59.999
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -30.816
Dist. restrs. and SS energy: 0.000 (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: 180
Temperature: 1.250000
Total energy: -613.215195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.215195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.215195 (E_RNA)
where:
Base-Base interactions energy: -393.387
where: short stacking energy: -164.773
Base-Backbone interact. energy: -2.146
local terms energy: -217.682070
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -54.336
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -25.710
tors. eta vs tors. theta energy: -31.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -651.625746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.625746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.625746 (E_RNA)
where:
Base-Base interactions energy: -414.832
where: short stacking energy: -189.277
Base-Backbone interact. energy: -0.104
local terms energy: -236.689725
where:
bonds (distance) C4'-P energy: -54.187
bonds (distance) P-C4' energy: -58.214
flat angles C4'-P-C4' energy: -46.061
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -34.736
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: 10, replica: 7
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -516.498875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.498875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.498875 (E_RNA)
where:
Base-Base interactions energy: -320.248
where: short stacking energy: -162.064
Base-Backbone interact. energy: -1.208
local terms energy: -195.042909
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -40.564
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -33.676
tors. eta vs tors. theta energy: -26.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1085.793935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.793935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.793935 (E_RNA)
where:
Base-Base interactions energy: -751.327
where: short stacking energy: -340.116
Base-Backbone interact. energy: -0.216
local terms energy: -334.251809
where:
bonds (distance) C4'-P energy: -54.445
bonds (distance) P-C4' energy: -64.047
flat angles C4'-P-C4' energy: -69.925
flat angles P-C4'-P energy: -41.477
tors. eta vs tors. theta energy: -104.357
Dist. restrs. and SS energy: 0.000 (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: 181
Temperature: 0.950000
Total energy: -1042.256488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.256488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.256488 (E_RNA)
where:
Base-Base interactions energy: -727.465
where: short stacking energy: -313.946
Base-Backbone interact. energy: -0.593
local terms energy: -314.198481
where:
bonds (distance) C4'-P energy: -59.888
bonds (distance) P-C4' energy: -55.693
flat angles C4'-P-C4' energy: -65.191
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: -91.154
Dist. restrs. and SS energy: 0.000 (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: 181
Temperature: 1.000000
Total energy: -979.093206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.093206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.093206 (E_RNA)
where:
Base-Base interactions energy: -671.914
where: short stacking energy: -297.367
Base-Backbone interact. energy: -0.476
local terms energy: -306.703733
where:
bonds (distance) C4'-P energy: -55.447
bonds (distance) P-C4' energy: -60.845
flat angles C4'-P-C4' energy: -62.994
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -83.241
Dist. restrs. and SS energy: 0.000 (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: 181
Temperature: 1.050000
Total energy: -972.869131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.869131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.869131 (E_RNA)
where:
Base-Base interactions energy: -675.528
where: short stacking energy: -291.185
Base-Backbone interact. energy: -0.629
local terms energy: -296.712168
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -53.739
flat angles C4'-P-C4' energy: -66.894
flat angles P-C4'-P energy: -38.194
tors. eta vs tors. theta energy: -78.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -839.540400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.540400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.540400 (E_RNA)
where:
Base-Base interactions energy: -557.759
where: short stacking energy: -252.227
Base-Backbone interact. energy: -0.224
local terms energy: -281.556881
where:
bonds (distance) C4'-P energy: -54.599
bonds (distance) P-C4' energy: -61.781
flat angles C4'-P-C4' energy: -53.533
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -70.417
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: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -743.268146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.268146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.268146 (E_RNA)
where:
Base-Base interactions energy: -490.615
where: short stacking energy: -201.332
Base-Backbone interact. energy: -0.442
local terms energy: -252.211434
where:
bonds (distance) C4'-P energy: -60.561
bonds (distance) P-C4' energy: -50.053
flat angles C4'-P-C4' energy: -58.151
flat angles P-C4'-P energy: -36.922
tors. eta vs tors. theta energy: -46.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -631.237684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.237684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.237684 (E_RNA)
where:
Base-Base interactions energy: -425.370
where: short stacking energy: -182.799
Base-Backbone interact. energy: -0.229
local terms energy: -205.638303
where:
bonds (distance) C4'-P energy: -46.159
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -55.434
flat angles P-C4'-P energy: -24.943
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: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -672.908631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.908631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.908631 (E_RNA)
where:
Base-Base interactions energy: -447.958
where: short stacking energy: -213.057
Base-Backbone interact. energy: 1.313
local terms energy: -226.263693
where:
bonds (distance) C4'-P energy: -50.557
bonds (distance) P-C4' energy: -40.252
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -51.741
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: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -519.938593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.938593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.938593 (E_RNA)
where:
Base-Base interactions energy: -325.921
where: short stacking energy: -152.512
Base-Backbone interact. energy: -0.439
local terms energy: -193.578562
where:
bonds (distance) C4'-P energy: -46.098
bonds (distance) P-C4' energy: -42.706
flat angles C4'-P-C4' energy: -51.533
flat angles P-C4'-P energy: -25.596
tors. eta vs tors. theta energy: -27.645
Dist. restrs. and SS energy: 0.000 (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: 181
Temperature: 1.350000
Total energy: -492.960065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.960065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.960065 (E_RNA)
where:
Base-Base interactions energy: -310.909
where: short stacking energy: -128.422
Base-Backbone interact. energy: 1.897
local terms energy: -183.948166
where:
bonds (distance) C4'-P energy: -43.865
bonds (distance) P-C4' energy: -43.860
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -20.486
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: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1072.562944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.562944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.562944 (E_RNA)
where:
Base-Base interactions energy: -736.178
where: short stacking energy: -323.931
Base-Backbone interact. energy: -0.359
local terms energy: -336.026190
where:
bonds (distance) C4'-P energy: -62.465
bonds (distance) P-C4' energy: -60.355
flat angles C4'-P-C4' energy: -68.856
flat angles P-C4'-P energy: -51.980
tors. eta vs tors. theta energy: -92.371
Dist. restrs. and SS energy: 0.000 (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: 182
Temperature: 0.950000
Total energy: -1066.174454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.174454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.174454 (E_RNA)
where:
Base-Base interactions energy: -733.051
where: short stacking energy: -330.480
Base-Backbone interact. energy: -1.203
local terms energy: -331.920603
where:
bonds (distance) C4'-P energy: -59.243
bonds (distance) P-C4' energy: -52.247
flat angles C4'-P-C4' energy: -67.299
flat angles P-C4'-P energy: -49.307
tors. eta vs tors. theta energy: -103.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -991.252832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.252832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.252832 (E_RNA)
where:
Base-Base interactions energy: -688.659
where: short stacking energy: -302.708
Base-Backbone interact. energy: -2.131
local terms energy: -300.463544
where:
bonds (distance) C4'-P energy: -51.716
bonds (distance) P-C4' energy: -58.814
flat angles C4'-P-C4' energy: -59.313
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -82.611
Dist. restrs. and SS energy: 0.000 (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: 182
Temperature: 1.050000
Total energy: -938.481581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.481581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.481581 (E_RNA)
where:
Base-Base interactions energy: -653.611
where: short stacking energy: -283.022
Base-Backbone interact. energy: -0.069
local terms energy: -284.801864
where:
bonds (distance) C4'-P energy: -52.691
bonds (distance) P-C4' energy: -51.441
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -43.101
tors. eta vs tors. theta energy: -78.690
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: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -852.602681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.602681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.602681 (E_RNA)
where:
Base-Base interactions energy: -609.324
where: short stacking energy: -245.356
Base-Backbone interact. energy: -0.786
local terms energy: -242.491876
where:
bonds (distance) C4'-P energy: -33.518
bonds (distance) P-C4' energy: -56.276
flat angles C4'-P-C4' energy: -59.086
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: -58.675
Dist. restrs. and SS energy: 0.000 (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: 182
Temperature: 1.150000
Total energy: -743.771543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.771543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.771543 (E_RNA)
where:
Base-Base interactions energy: -481.821
where: short stacking energy: -222.759
Base-Backbone interact. energy: 0.427
local terms energy: -262.377887
where:
bonds (distance) C4'-P energy: -55.228
bonds (distance) P-C4' energy: -52.037
flat angles C4'-P-C4' energy: -60.962
flat angles P-C4'-P energy: -38.844
tors. eta vs tors. theta energy: -55.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -665.226527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.226527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.226527 (E_RNA)
where:
Base-Base interactions energy: -409.586
where: short stacking energy: -206.081
Base-Backbone interact. energy: -2.116
local terms energy: -253.524526
where:
bonds (distance) C4'-P energy: -45.612
bonds (distance) P-C4' energy: -59.559
flat angles C4'-P-C4' energy: -57.737
flat angles P-C4'-P energy: -44.440
tors. eta vs tors. theta energy: -46.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -636.663900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.663900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.663900 (E_RNA)
where:
Base-Base interactions energy: -414.607
where: short stacking energy: -188.540
Base-Backbone interact. energy: 2.257
local terms energy: -224.314113
where:
bonds (distance) C4'-P energy: -32.711
bonds (distance) P-C4' energy: -62.301
flat angles C4'-P-C4' energy: -58.612
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -38.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -537.815065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.815065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.815065 (E_RNA)
where:
Base-Base interactions energy: -330.854
where: short stacking energy: -149.637
Base-Backbone interact. energy: -0.644
local terms energy: -206.317322
where:
bonds (distance) C4'-P energy: -50.264
bonds (distance) P-C4' energy: -55.437
flat angles C4'-P-C4' energy: -50.217
flat angles P-C4'-P energy: -26.875
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -432.356070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.356070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.356070 (E_RNA)
where:
Base-Base interactions energy: -240.001
where: short stacking energy: -117.181
Base-Backbone interact. energy: 0.810
local terms energy: -193.164968
where:
bonds (distance) C4'-P energy: -48.869
bonds (distance) P-C4' energy: -49.436
flat angles C4'-P-C4' energy: -49.841
flat angles P-C4'-P energy: -26.580
tors. eta vs tors. theta energy: -18.439
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: 1, replica: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1094.839611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.839611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.839611 (E_RNA)
where:
Base-Base interactions energy: -758.981
where: short stacking energy: -330.032
Base-Backbone interact. energy: -0.444
local terms energy: -335.414583
where:
bonds (distance) C4'-P energy: -66.024
bonds (distance) P-C4' energy: -58.737
flat angles C4'-P-C4' energy: -64.278
flat angles P-C4'-P energy: -51.945
tors. eta vs tors. theta energy: -94.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1070.247685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.247685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.247685 (E_RNA)
where:
Base-Base interactions energy: -728.658
where: short stacking energy: -328.828
Base-Backbone interact. energy: 0.118
local terms energy: -341.707673
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -60.541
flat angles C4'-P-C4' energy: -68.921
flat angles P-C4'-P energy: -49.837
tors. eta vs tors. theta energy: -103.673
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: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -999.451179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.451179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.451179 (E_RNA)
where:
Base-Base interactions energy: -686.832
where: short stacking energy: -316.153
Base-Backbone interact. energy: -1.200
local terms energy: -311.418902
where:
bonds (distance) C4'-P energy: -54.090
bonds (distance) P-C4' energy: -59.629
flat angles C4'-P-C4' energy: -66.602
flat angles P-C4'-P energy: -44.551
tors. eta vs tors. theta energy: -86.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -912.076539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.076539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.076539 (E_RNA)
where:
Base-Base interactions energy: -644.773
where: short stacking energy: -256.844
Base-Backbone interact. energy: -1.121
local terms energy: -266.181932
where:
bonds (distance) C4'-P energy: -56.069
bonds (distance) P-C4' energy: -46.200
flat angles C4'-P-C4' energy: -63.007
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -65.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -844.624403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.624403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.624403 (E_RNA)
where:
Base-Base interactions energy: -582.196
where: short stacking energy: -234.997
Base-Backbone interact. energy: -1.113
local terms energy: -261.314965
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -58.213
flat angles C4'-P-C4' energy: -60.816
flat angles P-C4'-P energy: -31.412
tors. eta vs tors. theta energy: -59.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -734.106760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.106760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.106760 (E_RNA)
where:
Base-Base interactions energy: -491.260
where: short stacking energy: -207.756
Base-Backbone interact. energy: 3.099
local terms energy: -245.946552
where:
bonds (distance) C4'-P energy: -47.699
bonds (distance) P-C4' energy: -64.950
flat angles C4'-P-C4' energy: -52.353
flat angles P-C4'-P energy: -34.394
tors. eta vs tors. theta energy: -46.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -648.360872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.360872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.360872 (E_RNA)
where:
Base-Base interactions energy: -417.666
where: short stacking energy: -188.271
Base-Backbone interact. energy: -0.652
local terms energy: -230.042310
where:
bonds (distance) C4'-P energy: -46.421
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -36.346
tors. eta vs tors. theta energy: -33.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -650.408050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.408050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.408050 (E_RNA)
where:
Base-Base interactions energy: -432.210
where: short stacking energy: -196.842
Base-Backbone interact. energy: -1.077
local terms energy: -217.120142
where:
bonds (distance) C4'-P energy: -58.803
bonds (distance) P-C4' energy: -42.734
flat angles C4'-P-C4' energy: -46.314
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -43.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -500.421114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.421114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.421114 (E_RNA)
where:
Base-Base interactions energy: -309.411
where: short stacking energy: -131.207
Base-Backbone interact. energy: 0.728
local terms energy: -191.738690
where:
bonds (distance) C4'-P energy: -46.276
bonds (distance) P-C4' energy: -51.834
flat angles C4'-P-C4' energy: -45.457
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: -10.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -481.319604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.319604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.319604 (E_RNA)
where:
Base-Base interactions energy: -294.972
where: short stacking energy: -146.402
Base-Backbone interact. energy: -1.490
local terms energy: -184.857684
where:
bonds (distance) C4'-P energy: -51.021
bonds (distance) P-C4' energy: -43.150
flat angles C4'-P-C4' energy: -45.488
flat angles P-C4'-P energy: -26.562
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1070.115537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.115537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.115537 (E_RNA)
where:
Base-Base interactions energy: -761.194
where: short stacking energy: -340.230
Base-Backbone interact. energy: -0.958
local terms energy: -307.963147
where:
bonds (distance) C4'-P energy: -49.444
bonds (distance) P-C4' energy: -52.692
flat angles C4'-P-C4' energy: -62.791
flat angles P-C4'-P energy: -47.411
tors. eta vs tors. theta energy: -95.625
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: 2, replica: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1062.029579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.029579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.029579 (E_RNA)
where:
Base-Base interactions energy: -718.038
where: short stacking energy: -326.768
Base-Backbone interact. energy: -2.744
local terms energy: -341.246967
where:
bonds (distance) C4'-P energy: -66.048
bonds (distance) P-C4' energy: -63.633
flat angles C4'-P-C4' energy: -67.333
flat angles P-C4'-P energy: -49.703
tors. eta vs tors. theta energy: -94.529
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: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -971.723584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.723584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.723584 (E_RNA)
where:
Base-Base interactions energy: -685.018
where: short stacking energy: -307.836
Base-Backbone interact. energy: 2.823
local terms energy: -289.528492
where:
bonds (distance) C4'-P energy: -48.110
bonds (distance) P-C4' energy: -59.882
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -81.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -946.432404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.432404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.432404 (E_RNA)
where:
Base-Base interactions energy: -661.364
where: short stacking energy: -283.538
Base-Backbone interact. energy: -1.689
local terms energy: -283.379374
where:
bonds (distance) C4'-P energy: -55.515
bonds (distance) P-C4' energy: -53.815
flat angles C4'-P-C4' energy: -61.585
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -71.660
Dist. restrs. and SS energy: 0.000 (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: 184
Temperature: 1.100000
Total energy: -862.298423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.298423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.298423 (E_RNA)
where:
Base-Base interactions energy: -595.154
where: short stacking energy: -251.549
Base-Backbone interact. energy: -2.201
local terms energy: -264.943021
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -56.132
flat angles C4'-P-C4' energy: -64.145
flat angles P-C4'-P energy: -37.876
tors. eta vs tors. theta energy: -59.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -753.494235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.494235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.494235 (E_RNA)
where:
Base-Base interactions energy: -485.661
where: short stacking energy: -199.241
Base-Backbone interact. energy: 0.478
local terms energy: -268.311938
where:
bonds (distance) C4'-P energy: -57.579
bonds (distance) P-C4' energy: -60.286
flat angles C4'-P-C4' energy: -63.113
flat angles P-C4'-P energy: -37.521
tors. eta vs tors. theta energy: -49.813
Dist. restrs. and SS energy: 0.000 (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: 184
Temperature: 1.200000
Total energy: -672.348830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.348830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.348830 (E_RNA)
where:
Base-Base interactions energy: -434.305
where: short stacking energy: -192.226
Base-Backbone interact. energy: 1.811
local terms energy: -239.854470
where:
bonds (distance) C4'-P energy: -52.917
bonds (distance) P-C4' energy: -56.902
flat angles C4'-P-C4' energy: -57.682
flat angles P-C4'-P energy: -26.959
tors. eta vs tors. theta energy: -45.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -625.403889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.403889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.403889 (E_RNA)
where:
Base-Base interactions energy: -407.667
where: short stacking energy: -182.461
Base-Backbone interact. energy: -2.093
local terms energy: -215.643670
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -57.275
flat angles C4'-P-C4' energy: -47.227
flat angles P-C4'-P energy: -27.516
tors. eta vs tors. theta energy: -35.060
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: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -529.296909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.296909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.296909 (E_RNA)
where:
Base-Base interactions energy: -322.106
where: short stacking energy: -149.615
Base-Backbone interact. energy: -1.007
local terms energy: -206.184297
where:
bonds (distance) C4'-P energy: -46.812
bonds (distance) P-C4' energy: -56.437
flat angles C4'-P-C4' energy: -45.574
flat angles P-C4'-P energy: -34.202
tors. eta vs tors. theta energy: -23.158
Dist. restrs. and SS energy: 0.000 (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: 184
Temperature: 1.350000
Total energy: -463.511014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.511014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.511014 (E_RNA)
where:
Base-Base interactions energy: -276.072
where: short stacking energy: -138.261
Base-Backbone interact. energy: 1.669
local terms energy: -189.107900
where:
bonds (distance) C4'-P energy: -50.611
bonds (distance) P-C4' energy: -54.750
flat angles C4'-P-C4' energy: -50.169
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -14.036
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: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1071.342580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.342580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.342580 (E_RNA)
where:
Base-Base interactions energy: -747.143
where: short stacking energy: -332.993
Base-Backbone interact. energy: -0.917
local terms energy: -323.282916
where:
bonds (distance) C4'-P energy: -61.742
bonds (distance) P-C4' energy: -56.134
flat angles C4'-P-C4' energy: -68.311
flat angles P-C4'-P energy: -40.507
tors. eta vs tors. theta energy: -96.589
Dist. restrs. and SS energy: 0.000 (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: 185
Temperature: 0.950000
Total energy: -1059.223819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.223819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.223819 (E_RNA)
where:
Base-Base interactions energy: -729.031
where: short stacking energy: -331.610
Base-Backbone interact. energy: -0.848
local terms energy: -329.345012
where:
bonds (distance) C4'-P energy: -60.023
bonds (distance) P-C4' energy: -52.688
flat angles C4'-P-C4' energy: -66.596
flat angles P-C4'-P energy: -49.168
tors. eta vs tors. theta energy: -100.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1009.769433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.769433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.769433 (E_RNA)
where:
Base-Base interactions energy: -709.940
where: short stacking energy: -301.222
Base-Backbone interact. energy: -0.488
local terms energy: -299.342035
where:
bonds (distance) C4'-P energy: -59.368
bonds (distance) P-C4' energy: -54.992
flat angles C4'-P-C4' energy: -69.086
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -77.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -935.284222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.284222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.284222 (E_RNA)
where:
Base-Base interactions energy: -641.017
where: short stacking energy: -268.576
Base-Backbone interact. energy: 0.229
local terms energy: -294.495794
where:
bonds (distance) C4'-P energy: -56.847
bonds (distance) P-C4' energy: -64.924
flat angles C4'-P-C4' energy: -59.694
flat angles P-C4'-P energy: -37.771
tors. eta vs tors. theta energy: -75.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -870.947527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.947527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.947527 (E_RNA)
where:
Base-Base interactions energy: -598.609
where: short stacking energy: -230.662
Base-Backbone interact. energy: -2.708
local terms energy: -269.630585
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -53.963
flat angles C4'-P-C4' energy: -62.865
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -60.023
Dist. restrs. and SS energy: 0.000 (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: 185
Temperature: 1.150000
Total energy: -757.242553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.242553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.242553 (E_RNA)
where:
Base-Base interactions energy: -490.317
where: short stacking energy: -216.322
Base-Backbone interact. energy: -1.237
local terms energy: -265.688276
where:
bonds (distance) C4'-P energy: -50.373
bonds (distance) P-C4' energy: -57.864
flat angles C4'-P-C4' energy: -58.518
flat angles P-C4'-P energy: -41.779
tors. eta vs tors. theta energy: -57.154
Dist. restrs. and SS energy: 0.000 (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: 185
Temperature: 1.200000
Total energy: -663.056045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.056045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.056045 (E_RNA)
where:
Base-Base interactions energy: -429.645
where: short stacking energy: -189.300
Base-Backbone interact. energy: 3.281
local terms energy: -236.691788
where:
bonds (distance) C4'-P energy: -48.992
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -37.259
tors. eta vs tors. theta energy: -45.402
Dist. restrs. and SS energy: 0.000 (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: 185
Temperature: 1.250000
Total energy: -621.241517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.241517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.241517 (E_RNA)
where:
Base-Base interactions energy: -414.731
where: short stacking energy: -173.373
Base-Backbone interact. energy: 3.216
local terms energy: -209.726322
where:
bonds (distance) C4'-P energy: -60.832
bonds (distance) P-C4' energy: -47.509
flat angles C4'-P-C4' energy: -46.805
flat angles P-C4'-P energy: -33.268
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (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: 185
Temperature: 1.300000
Total energy: -515.893146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.893146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.893146 (E_RNA)
where:
Base-Base interactions energy: -327.169
where: short stacking energy: -167.541
Base-Backbone interact. energy: 0.534
local terms energy: -189.258922
where:
bonds (distance) C4'-P energy: -49.079
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -43.226
flat angles P-C4'-P energy: -20.364
tors. eta vs tors. theta energy: -30.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -456.281063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.281063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.281063 (E_RNA)
where:
Base-Base interactions energy: -261.284
where: short stacking energy: -133.324
Base-Backbone interact. energy: 0.319
local terms energy: -195.315378
where:
bonds (distance) C4'-P energy: -43.424
bonds (distance) P-C4' energy: -55.780
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -34.584
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (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: 186
Temperature: 0.900000
Total energy: -1072.453211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.453211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.453211 (E_RNA)
where:
Base-Base interactions energy: -726.854
where: short stacking energy: -329.167
Base-Backbone interact. energy: -0.725
local terms energy: -344.874451
where:
bonds (distance) C4'-P energy: -63.348
bonds (distance) P-C4' energy: -65.712
flat angles C4'-P-C4' energy: -69.428
flat angles P-C4'-P energy: -50.783
tors. eta vs tors. theta energy: -95.603
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: 2, replica: 10
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1069.134706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.134706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.134706 (E_RNA)
where:
Base-Base interactions energy: -748.595
where: short stacking energy: -336.176
Base-Backbone interact. energy: -2.220
local terms energy: -318.319462
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -57.489
flat angles C4'-P-C4' energy: -67.583
flat angles P-C4'-P energy: -44.538
tors. eta vs tors. theta energy: -101.043
Dist. restrs. and SS energy: 0.000 (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: 186
Temperature: 1.000000
Total energy: -998.101041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.101041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.101041 (E_RNA)
where:
Base-Base interactions energy: -708.247
where: short stacking energy: -300.195
Base-Backbone interact. energy: -2.346
local terms energy: -287.507991
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -60.801
flat angles P-C4'-P energy: -40.105
tors. eta vs tors. theta energy: -80.839
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: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -955.753390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.753390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.753390 (E_RNA)
where:
Base-Base interactions energy: -652.259
where: short stacking energy: -270.161
Base-Backbone interact. energy: 0.089
local terms energy: -303.582734
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -55.357
flat angles C4'-P-C4' energy: -67.659
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: -79.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -863.765592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.765592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.765592 (E_RNA)
where:
Base-Base interactions energy: -601.234
where: short stacking energy: -248.512
Base-Backbone interact. energy: -1.359
local terms energy: -261.173430
where:
bonds (distance) C4'-P energy: -50.936
bonds (distance) P-C4' energy: -44.748
flat angles C4'-P-C4' energy: -62.888
flat angles P-C4'-P energy: -40.943
tors. eta vs tors. theta energy: -61.659
Dist. restrs. and SS energy: 0.000 (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: 186
Temperature: 1.150000
Total energy: -714.377768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.377768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.377768 (E_RNA)
where:
Base-Base interactions energy: -468.844
where: short stacking energy: -222.352
Base-Backbone interact. energy: 0.420
local terms energy: -245.953670
where:
bonds (distance) C4'-P energy: -54.798
bonds (distance) P-C4' energy: -47.792
flat angles C4'-P-C4' energy: -51.320
flat angles P-C4'-P energy: -34.099
tors. eta vs tors. theta energy: -57.945
Dist. restrs. and SS energy: 0.000 (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: 186
Temperature: 1.200000
Total energy: -692.179569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.179569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.179569 (E_RNA)
where:
Base-Base interactions energy: -432.488
where: short stacking energy: -202.198
Base-Backbone interact. energy: -1.099
local terms energy: -258.592633
where:
bonds (distance) C4'-P energy: -61.122
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -49.764
flat angles P-C4'-P energy: -34.825
tors. eta vs tors. theta energy: -60.444
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: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -596.413920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.413920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.413920 (E_RNA)
where:
Base-Base interactions energy: -375.429
where: short stacking energy: -157.290
Base-Backbone interact. energy: -1.738
local terms energy: -219.246183
where:
bonds (distance) C4'-P energy: -46.986
bonds (distance) P-C4' energy: -47.444
flat angles C4'-P-C4' energy: -58.390
flat angles P-C4'-P energy: -32.684
tors. eta vs tors. theta energy: -33.743
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: 186
Temperature: 1.300000
Total energy: -560.287662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.287662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.287662 (E_RNA)
where:
Base-Base interactions energy: -355.123
where: short stacking energy: -170.685
Base-Backbone interact. energy: 0.167
local terms energy: -205.331577
where:
bonds (distance) C4'-P energy: -51.211
bonds (distance) P-C4' energy: -53.204
flat angles C4'-P-C4' energy: -40.564
flat angles P-C4'-P energy: -33.101
tors. eta vs tors. theta energy: -27.253
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: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -451.903518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.903518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.903518 (E_RNA)
where:
Base-Base interactions energy: -260.685
where: short stacking energy: -121.499
Base-Backbone interact. energy: -1.212
local terms energy: -190.005948
where:
bonds (distance) C4'-P energy: -49.549
bonds (distance) P-C4' energy: -43.640
flat angles C4'-P-C4' energy: -46.128
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: -13.179
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: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1080.882212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.882212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.882212 (E_RNA)
where:
Base-Base interactions energy: -748.844
where: short stacking energy: -318.258
Base-Backbone interact. energy: 0.384
local terms energy: -332.421320
where:
bonds (distance) C4'-P energy: -57.905
bonds (distance) P-C4' energy: -67.171
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -47.830
tors. eta vs tors. theta energy: -94.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1071.603689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.603689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.603689 (E_RNA)
where:
Base-Base interactions energy: -729.077
where: short stacking energy: -329.780
Base-Backbone interact. energy: -0.716
local terms energy: -341.810680
where:
bonds (distance) C4'-P energy: -58.081
bonds (distance) P-C4' energy: -54.731
flat angles C4'-P-C4' energy: -76.254
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: -107.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1014.393093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.393093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.393093 (E_RNA)
where:
Base-Base interactions energy: -715.028
where: short stacking energy: -295.677
Base-Backbone interact. energy: 1.966
local terms energy: -301.331323
where:
bonds (distance) C4'-P energy: -61.309
bonds (distance) P-C4' energy: -57.024
flat angles C4'-P-C4' energy: -63.707
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -79.731
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: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -959.025999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.025999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.025999 (E_RNA)
where:
Base-Base interactions energy: -672.412
where: short stacking energy: -266.532
Base-Backbone interact. energy: -0.630
local terms energy: -285.983993
where:
bonds (distance) C4'-P energy: -49.995
bonds (distance) P-C4' energy: -49.059
flat angles C4'-P-C4' energy: -69.768
flat angles P-C4'-P energy: -39.440
tors. eta vs tors. theta energy: -77.722
Dist. restrs. and SS energy: 0.000 (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: 187
Temperature: 1.100000
Total energy: -821.662783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.662783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.662783 (E_RNA)
where:
Base-Base interactions energy: -566.474
where: short stacking energy: -241.683
Base-Backbone interact. energy: 0.205
local terms energy: -255.393749
where:
bonds (distance) C4'-P energy: -49.494
bonds (distance) P-C4' energy: -55.031
flat angles C4'-P-C4' energy: -62.964
flat angles P-C4'-P energy: -29.896
tors. eta vs tors. theta energy: -58.008
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: 6, replica: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -765.186221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.186221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.186221 (E_RNA)
where:
Base-Base interactions energy: -513.524
where: short stacking energy: -203.917
Base-Backbone interact. energy: -0.726
local terms energy: -250.935900
where:
bonds (distance) C4'-P energy: -51.680
bonds (distance) P-C4' energy: -48.661
flat angles C4'-P-C4' energy: -68.841
flat angles P-C4'-P energy: -38.441
tors. eta vs tors. theta energy: -43.313
Dist. restrs. and SS energy: 0.000 (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: 187
Temperature: 1.200000
Total energy: -672.554349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.554349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.554349 (E_RNA)
where:
Base-Base interactions energy: -442.184
where: short stacking energy: -199.783
Base-Backbone interact. energy: 0.079
local terms energy: -230.449732
where:
bonds (distance) C4'-P energy: -53.262
bonds (distance) P-C4' energy: -52.016
flat angles C4'-P-C4' energy: -45.852
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -39.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -596.284093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.284093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.284093 (E_RNA)
where:
Base-Base interactions energy: -377.270
where: short stacking energy: -155.315
Base-Backbone interact. energy: 3.961
local terms energy: -222.975276
where:
bonds (distance) C4'-P energy: -55.637
bonds (distance) P-C4' energy: -55.132
flat angles C4'-P-C4' energy: -49.116
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -31.761
Dist. restrs. and SS energy: 0.000 (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: 187
Temperature: 1.300000
Total energy: -521.591481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.591481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.591481 (E_RNA)
where:
Base-Base interactions energy: -329.109
where: short stacking energy: -159.362
Base-Backbone interact. energy: 1.195
local terms energy: -193.677306
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -45.108
flat angles C4'-P-C4' energy: -39.563
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -30.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -466.030033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.030033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.030033 (E_RNA)
where:
Base-Base interactions energy: -285.511
where: short stacking energy: -140.114
Base-Backbone interact. energy: 1.118
local terms energy: -181.637265
where:
bonds (distance) C4'-P energy: -34.888
bonds (distance) P-C4' energy: -61.618
flat angles C4'-P-C4' energy: -50.876
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -13.046
Dist. restrs. and SS energy: 0.000 (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: 188
Temperature: 0.900000
Total energy: -1094.329602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.329602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.329602 (E_RNA)
where:
Base-Base interactions energy: -751.375
where: short stacking energy: -322.357
Base-Backbone interact. energy: 0.442
local terms energy: -343.396312
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -60.217
flat angles C4'-P-C4' energy: -67.508
flat angles P-C4'-P energy: -55.593
tors. eta vs tors. theta energy: -105.508
Dist. restrs. and SS energy: 0.000 (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: 188
Temperature: 0.950000
Total energy: -1057.095534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.095534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.095534 (E_RNA)
where:
Base-Base interactions energy: -724.360
where: short stacking energy: -320.104
Base-Backbone interact. energy: -0.042
local terms energy: -332.694058
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -66.352
flat angles C4'-P-C4' energy: -69.359
flat angles P-C4'-P energy: -46.809
tors. eta vs tors. theta energy: -91.968
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: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -972.975558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.975558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.975558 (E_RNA)
where:
Base-Base interactions energy: -671.700
where: short stacking energy: -294.835
Base-Backbone interact. energy: -0.608
local terms energy: -300.667898
where:
bonds (distance) C4'-P energy: -59.444
bonds (distance) P-C4' energy: -63.139
flat angles C4'-P-C4' energy: -60.834
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -80.147
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: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -968.753618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.753618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.753618 (E_RNA)
where:
Base-Base interactions energy: -677.592
where: short stacking energy: -280.380
Base-Backbone interact. energy: -0.391
local terms energy: -290.770754
where:
bonds (distance) C4'-P energy: -58.484
bonds (distance) P-C4' energy: -51.980
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -43.735
tors. eta vs tors. theta energy: -73.795
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: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -879.211016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.211016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.211016 (E_RNA)
where:
Base-Base interactions energy: -608.209
where: short stacking energy: -262.474
Base-Backbone interact. energy: -1.464
local terms energy: -269.538103
where:
bonds (distance) C4'-P energy: -64.450
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -52.016
flat angles P-C4'-P energy: -33.461
tors. eta vs tors. theta energy: -61.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -764.029754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.029754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.029754 (E_RNA)
where:
Base-Base interactions energy: -520.584
where: short stacking energy: -230.764
Base-Backbone interact. energy: -2.659
local terms energy: -240.786121
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -52.046
flat angles C4'-P-C4' energy: -49.092
flat angles P-C4'-P energy: -31.504
tors. eta vs tors. theta energy: -56.404
Dist. restrs. and SS energy: 0.000 (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: 188
Temperature: 1.200000
Total energy: -665.891770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.891770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.891770 (E_RNA)
where:
Base-Base interactions energy: -431.094
where: short stacking energy: -190.996
Base-Backbone interact. energy: -1.601
local terms energy: -233.197465
where:
bonds (distance) C4'-P energy: -46.826
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -50.653
flat angles P-C4'-P energy: -45.943
tors. eta vs tors. theta energy: -40.765
Dist. restrs. and SS energy: 0.000 (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: 188
Temperature: 1.250000
Total energy: -632.313039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.313039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.313039 (E_RNA)
where:
Base-Base interactions energy: -399.169
where: short stacking energy: -172.324
Base-Backbone interact. energy: 0.166
local terms energy: -233.309649
where:
bonds (distance) C4'-P energy: -52.143
bonds (distance) P-C4' energy: -64.354
flat angles C4'-P-C4' energy: -45.451
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -36.493
Dist. restrs. and SS energy: 0.000 (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: 188
Temperature: 1.300000
Total energy: -489.344967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.344967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.344967 (E_RNA)
where:
Base-Base interactions energy: -281.831
where: short stacking energy: -155.816
Base-Backbone interact. energy: -0.707
local terms energy: -206.807341
where:
bonds (distance) C4'-P energy: -49.924
bonds (distance) P-C4' energy: -43.743
flat angles C4'-P-C4' energy: -54.096
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -32.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -508.587800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.587800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.587800 (E_RNA)
where:
Base-Base interactions energy: -317.553
where: short stacking energy: -158.591
Base-Backbone interact. energy: 6.440
local terms energy: -197.474017
where:
bonds (distance) C4'-P energy: -58.084
bonds (distance) P-C4' energy: -45.988
flat angles C4'-P-C4' energy: -42.318
flat angles P-C4'-P energy: -21.053
tors. eta vs tors. theta energy: -30.031
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: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1096.202628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.202628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.202628 (E_RNA)
where:
Base-Base interactions energy: -751.308
where: short stacking energy: -344.502
Base-Backbone interact. energy: -0.023
local terms energy: -344.871665
where:
bonds (distance) C4'-P energy: -60.377
bonds (distance) P-C4' energy: -59.954
flat angles C4'-P-C4' energy: -71.134
flat angles P-C4'-P energy: -53.663
tors. eta vs tors. theta energy: -99.743
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: 2, replica: 1
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1044.591939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.591939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.591939 (E_RNA)
where:
Base-Base interactions energy: -723.553
where: short stacking energy: -329.039
Base-Backbone interact. energy: -1.591
local terms energy: -319.448543
where:
bonds (distance) C4'-P energy: -53.969
bonds (distance) P-C4' energy: -62.581
flat angles C4'-P-C4' energy: -67.254
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -95.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1012.139971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.139971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.139971 (E_RNA)
where:
Base-Base interactions energy: -705.530
where: short stacking energy: -302.373
Base-Backbone interact. energy: -1.200
local terms energy: -305.409595
where:
bonds (distance) C4'-P energy: -44.347
bonds (distance) P-C4' energy: -61.672
flat angles C4'-P-C4' energy: -72.893
flat angles P-C4'-P energy: -46.514
tors. eta vs tors. theta energy: -79.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -956.320740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.320740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.320740 (E_RNA)
where:
Base-Base interactions energy: -688.571
where: short stacking energy: -280.209
Base-Backbone interact. energy: -1.752
local terms energy: -265.998034
where:
bonds (distance) C4'-P energy: -43.022
bonds (distance) P-C4' energy: -50.218
flat angles C4'-P-C4' energy: -61.015
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -70.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -889.640975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.640975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.640975 (E_RNA)
where:
Base-Base interactions energy: -628.129
where: short stacking energy: -265.412
Base-Backbone interact. energy: -1.725
local terms energy: -259.786354
where:
bonds (distance) C4'-P energy: -45.595
bonds (distance) P-C4' energy: -51.418
flat angles C4'-P-C4' energy: -52.350
flat angles P-C4'-P energy: -41.214
tors. eta vs tors. theta energy: -69.209
Dist. restrs. and SS energy: 0.000 (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: 189
Temperature: 1.150000
Total energy: -759.079454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.079454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.079454 (E_RNA)
where:
Base-Base interactions energy: -492.657
where: short stacking energy: -231.667
Base-Backbone interact. energy: -0.212
local terms energy: -266.210288
where:
bonds (distance) C4'-P energy: -45.685
bonds (distance) P-C4' energy: -61.672
flat angles C4'-P-C4' energy: -56.087
flat angles P-C4'-P energy: -39.699
tors. eta vs tors. theta energy: -63.068
Dist. restrs. and SS energy: 0.000 (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: 189
Temperature: 1.200000
Total energy: -687.673061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.673061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.673061 (E_RNA)
where:
Base-Base interactions energy: -442.668
where: short stacking energy: -189.168
Base-Backbone interact. energy: -1.469
local terms energy: -243.535647
where:
bonds (distance) C4'-P energy: -51.439
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -56.839
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -44.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -667.894491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.894491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.894491 (E_RNA)
where:
Base-Base interactions energy: -456.476
where: short stacking energy: -188.981
Base-Backbone interact. energy: 6.840
local terms energy: -218.258591
where:
bonds (distance) C4'-P energy: -37.890
bonds (distance) P-C4' energy: -55.388
flat angles C4'-P-C4' energy: -61.901
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: -31.409
Dist. restrs. and SS energy: 0.000 (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: 189
Temperature: 1.300000
Total energy: -477.907579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.907579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.907579 (E_RNA)
where:
Base-Base interactions energy: -271.302
where: short stacking energy: -134.643
Base-Backbone interact. energy: 2.040
local terms energy: -208.645777
where:
bonds (distance) C4'-P energy: -54.240
bonds (distance) P-C4' energy: -50.900
flat angles C4'-P-C4' energy: -42.819
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -24.604
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -495.289772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.289772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.289772 (E_RNA)
where:
Base-Base interactions energy: -280.603
where: short stacking energy: -151.897
Base-Backbone interact. energy: 0.464
local terms energy: -215.150617
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -55.130
flat angles C4'-P-C4' energy: -55.255
flat angles P-C4'-P energy: -31.701
tors. eta vs tors. theta energy: -26.328
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: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1097.048717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.048717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.048717 (E_RNA)
where:
Base-Base interactions energy: -752.441
where: short stacking energy: -334.260
Base-Backbone interact. energy: -0.049
local terms energy: -344.558718
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -59.875
flat angles C4'-P-C4' energy: -73.590
flat angles P-C4'-P energy: -48.199
tors. eta vs tors. theta energy: -104.595
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: 2, replica: 1
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1031.907150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.907150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.907150 (E_RNA)
where:
Base-Base interactions energy: -710.226
where: short stacking energy: -315.290
Base-Backbone interact. energy: -0.611
local terms energy: -321.070268
where:
bonds (distance) C4'-P energy: -58.296
bonds (distance) P-C4' energy: -56.198
flat angles C4'-P-C4' energy: -63.120
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -96.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -970.455083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.455083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.455083 (E_RNA)
where:
Base-Base interactions energy: -680.131
where: short stacking energy: -269.715
Base-Backbone interact. energy: -0.463
local terms energy: -289.860829
where:
bonds (distance) C4'-P energy: -47.276
bonds (distance) P-C4' energy: -62.677
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -34.927
tors. eta vs tors. theta energy: -83.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -953.680142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.680142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.680142 (E_RNA)
where:
Base-Base interactions energy: -660.533
where: short stacking energy: -264.432
Base-Backbone interact. energy: -2.130
local terms energy: -291.017415
where:
bonds (distance) C4'-P energy: -66.094
bonds (distance) P-C4' energy: -57.373
flat angles C4'-P-C4' energy: -60.395
flat angles P-C4'-P energy: -37.839
tors. eta vs tors. theta energy: -69.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -871.299888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.299888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.299888 (E_RNA)
where:
Base-Base interactions energy: -583.666
where: short stacking energy: -251.509
Base-Backbone interact. energy: -1.115
local terms energy: -286.518648
where:
bonds (distance) C4'-P energy: -48.190
bonds (distance) P-C4' energy: -61.677
flat angles C4'-P-C4' energy: -58.658
flat angles P-C4'-P energy: -49.509
tors. eta vs tors. theta energy: -68.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -754.639311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.639311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.639311 (E_RNA)
where:
Base-Base interactions energy: -519.811
where: short stacking energy: -215.085
Base-Backbone interact. energy: 0.227
local terms energy: -235.054816
where:
bonds (distance) C4'-P energy: -54.362
bonds (distance) P-C4' energy: -52.678
flat angles C4'-P-C4' energy: -50.411
flat angles P-C4'-P energy: -24.642
tors. eta vs tors. theta energy: -52.963
Dist. restrs. and SS energy: 0.000 (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: 190
Temperature: 1.200000
Total energy: -675.686214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.686214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.686214 (E_RNA)
where:
Base-Base interactions energy: -468.956
where: short stacking energy: -209.081
Base-Backbone interact. energy: -2.377
local terms energy: -204.352600
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -49.287
flat angles C4'-P-C4' energy: -52.782
flat angles P-C4'-P energy: -25.630
tors. eta vs tors. theta energy: -35.979
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: 8, replica: 4
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -671.342838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.342838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.342838 (E_RNA)
where:
Base-Base interactions energy: -445.691
where: short stacking energy: -208.001
Base-Backbone interact. energy: 0.132
local terms energy: -225.783728
where:
bonds (distance) C4'-P energy: -46.786
bonds (distance) P-C4' energy: -49.687
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -33.411
tors. eta vs tors. theta energy: -41.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -487.807682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.807682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.807682 (E_RNA)
where:
Base-Base interactions energy: -295.195
where: short stacking energy: -144.573
Base-Backbone interact. energy: -0.947
local terms energy: -191.665734
where:
bonds (distance) C4'-P energy: -42.735
bonds (distance) P-C4' energy: -62.625
flat angles C4'-P-C4' energy: -46.379
flat angles P-C4'-P energy: -33.169
tors. eta vs tors. theta energy: -6.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -491.529633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.529633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.529633 (E_RNA)
where:
Base-Base interactions energy: -283.994
where: short stacking energy: -136.880
Base-Backbone interact. energy: -0.556
local terms energy: -206.979723
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -66.476
flat angles C4'-P-C4' energy: -50.693
flat angles P-C4'-P energy: -26.685
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1096.565462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.565462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.565462 (E_RNA)
where:
Base-Base interactions energy: -752.000
where: short stacking energy: -339.213
Base-Backbone interact. energy: -0.592
local terms energy: -343.972833
where:
bonds (distance) C4'-P energy: -59.544
bonds (distance) P-C4' energy: -63.148
flat angles C4'-P-C4' energy: -67.620
flat angles P-C4'-P energy: -48.109
tors. eta vs tors. theta energy: -105.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1031.480285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.480285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.480285 (E_RNA)
where:
Base-Base interactions energy: -722.630
where: short stacking energy: -300.730
Base-Backbone interact. energy: 0.597
local terms energy: -309.447148
where:
bonds (distance) C4'-P energy: -52.222
bonds (distance) P-C4' energy: -62.718
flat angles C4'-P-C4' energy: -64.777
flat angles P-C4'-P energy: -46.663
tors. eta vs tors. theta energy: -83.067
Dist. restrs. and SS energy: 0.000 (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: 191
Temperature: 1.000000
Total energy: -1005.459795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.459795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.459795 (E_RNA)
where:
Base-Base interactions energy: -686.796
where: short stacking energy: -305.349
Base-Backbone interact. energy: -1.025
local terms energy: -317.638425
where:
bonds (distance) C4'-P energy: -59.597
bonds (distance) P-C4' energy: -60.206
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -45.136
tors. eta vs tors. theta energy: -86.559
Dist. restrs. and SS energy: 0.000 (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: 191
Temperature: 1.050000
Total energy: -939.426675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.426675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.426675 (E_RNA)
where:
Base-Base interactions energy: -637.095
where: short stacking energy: -261.094
Base-Backbone interact. energy: -2.005
local terms energy: -300.326681
where:
bonds (distance) C4'-P energy: -59.405
bonds (distance) P-C4' energy: -59.243
flat angles C4'-P-C4' energy: -64.941
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -72.335
Dist. restrs. and SS energy: 0.000 (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: 191
Temperature: 1.100000
Total energy: -867.710425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.710425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.710425 (E_RNA)
where:
Base-Base interactions energy: -596.444
where: short stacking energy: -247.800
Base-Backbone interact. energy: -1.515
local terms energy: -269.751140
where:
bonds (distance) C4'-P energy: -56.712
bonds (distance) P-C4' energy: -56.447
flat angles C4'-P-C4' energy: -57.150
flat angles P-C4'-P energy: -39.319
tors. eta vs tors. theta energy: -60.122
Dist. restrs. and SS energy: 0.000 (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: 191
Temperature: 1.150000
Total energy: -749.109774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.109774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.109774 (E_RNA)
where:
Base-Base interactions energy: -503.215
where: short stacking energy: -206.667
Base-Backbone interact. energy: -2.220
local terms energy: -243.674971
where:
bonds (distance) C4'-P energy: -50.159
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -55.522
flat angles P-C4'-P energy: -26.769
tors. eta vs tors. theta energy: -51.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -664.163910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.163910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.163910 (E_RNA)
where:
Base-Base interactions energy: -432.983
where: short stacking energy: -185.105
Base-Backbone interact. energy: 6.579
local terms energy: -237.759370
where:
bonds (distance) C4'-P energy: -54.232
bonds (distance) P-C4' energy: -53.120
flat angles C4'-P-C4' energy: -57.263
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -35.745
Dist. restrs. and SS energy: 0.000 (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: 191
Temperature: 1.250000
Total energy: -653.176639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.176639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.176639 (E_RNA)
where:
Base-Base interactions energy: -428.700
where: short stacking energy: -207.228
Base-Backbone interact. energy: -1.825
local terms energy: -222.651827
where:
bonds (distance) C4'-P energy: -47.359
bonds (distance) P-C4' energy: -47.588
flat angles C4'-P-C4' energy: -57.811
flat angles P-C4'-P energy: -33.953
tors. eta vs tors. theta energy: -35.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -489.195335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.195335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.195335 (E_RNA)
where:
Base-Base interactions energy: -299.350
where: short stacking energy: -154.750
Base-Backbone interact. energy: 0.468
local terms energy: -190.313366
where:
bonds (distance) C4'-P energy: -45.933
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -49.611
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -497.219118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.219118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.219118 (E_RNA)
where:
Base-Base interactions energy: -283.106
where: short stacking energy: -145.086
Base-Backbone interact. energy: -0.691
local terms energy: -213.422044
where:
bonds (distance) C4'-P energy: -55.340
bonds (distance) P-C4' energy: -53.823
flat angles C4'-P-C4' energy: -48.219
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (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: 192
Temperature: 0.900000
Total energy: -1101.228202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.228202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.228202 (E_RNA)
where:
Base-Base interactions energy: -757.661
where: short stacking energy: -350.980
Base-Backbone interact. energy: -0.145
local terms energy: -343.422499
where:
bonds (distance) C4'-P energy: -54.749
bonds (distance) P-C4' energy: -67.823
flat angles C4'-P-C4' energy: -67.707
flat angles P-C4'-P energy: -48.206
tors. eta vs tors. theta energy: -104.937
Dist. restrs. and SS energy: 0.000 (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: 192
Temperature: 0.950000
Total energy: -1025.757983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.757983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.757983 (E_RNA)
where:
Base-Base interactions energy: -728.215
where: short stacking energy: -302.512
Base-Backbone interact. energy: -0.364
local terms energy: -297.179448
where:
bonds (distance) C4'-P energy: -56.641
bonds (distance) P-C4' energy: -55.931
flat angles C4'-P-C4' energy: -57.563
flat angles P-C4'-P energy: -43.240
tors. eta vs tors. theta energy: -83.805
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: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1002.912077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.912077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.912077 (E_RNA)
where:
Base-Base interactions energy: -708.642
where: short stacking energy: -285.655
Base-Backbone interact. energy: -1.944
local terms energy: -292.325915
where:
bonds (distance) C4'-P energy: -58.674
bonds (distance) P-C4' energy: -47.183
flat angles C4'-P-C4' energy: -67.704
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -81.011
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: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -943.299187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.299187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.299187 (E_RNA)
where:
Base-Base interactions energy: -666.044
where: short stacking energy: -279.623
Base-Backbone interact. energy: -0.430
local terms energy: -276.825719
where:
bonds (distance) C4'-P energy: -48.373
bonds (distance) P-C4' energy: -54.462
flat angles C4'-P-C4' energy: -63.716
flat angles P-C4'-P energy: -45.328
tors. eta vs tors. theta energy: -64.947
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: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -852.028438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.028438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.028438 (E_RNA)
where:
Base-Base interactions energy: -600.726
where: short stacking energy: -249.306
Base-Backbone interact. energy: -1.172
local terms energy: -250.130292
where:
bonds (distance) C4'-P energy: -52.341
bonds (distance) P-C4' energy: -41.294
flat angles C4'-P-C4' energy: -58.178
flat angles P-C4'-P energy: -40.614
tors. eta vs tors. theta energy: -57.703
Dist. restrs. and SS energy: 0.000 (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: 192
Temperature: 1.150000
Total energy: -757.918955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.918955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.918955 (E_RNA)
where:
Base-Base interactions energy: -496.953
where: short stacking energy: -211.915
Base-Backbone interact. energy: 0.622
local terms energy: -261.587531
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -63.697
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -57.168
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: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -721.771549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.771549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.771549 (E_RNA)
where:
Base-Base interactions energy: -485.561
where: short stacking energy: -212.691
Base-Backbone interact. energy: -2.110
local terms energy: -234.101137
where:
bonds (distance) C4'-P energy: -49.641
bonds (distance) P-C4' energy: -51.209
flat angles C4'-P-C4' energy: -51.848
flat angles P-C4'-P energy: -39.072
tors. eta vs tors. theta energy: -42.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -656.722624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.722624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.722624 (E_RNA)
where:
Base-Base interactions energy: -417.218
where: short stacking energy: -181.376
Base-Backbone interact. energy: 0.526
local terms energy: -240.030621
where:
bonds (distance) C4'-P energy: -48.736
bonds (distance) P-C4' energy: -58.674
flat angles C4'-P-C4' energy: -52.865
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -43.508
Dist. restrs. and SS energy: 0.000 (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: 192
Temperature: 1.300000
Total energy: -515.231254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.231254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.231254 (E_RNA)
where:
Base-Base interactions energy: -311.488
where: short stacking energy: -166.841
Base-Backbone interact. energy: 4.188
local terms energy: -207.930588
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -37.414
Dist. restrs. and SS energy: 0.000 (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: 192
Temperature: 1.350000
Total energy: -537.183426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.183426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.183426 (E_RNA)
where:
Base-Base interactions energy: -328.174
where: short stacking energy: -178.573
Base-Backbone interact. energy: -1.497
local terms energy: -207.511764
where:
bonds (distance) C4'-P energy: -47.321
bonds (distance) P-C4' energy: -57.082
flat angles C4'-P-C4' energy: -44.648
flat angles P-C4'-P energy: -24.669
tors. eta vs tors. theta energy: -33.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1097.978261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.978261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.978261 (E_RNA)
where:
Base-Base interactions energy: -753.574
where: short stacking energy: -331.931
Base-Backbone interact. energy: -0.513
local terms energy: -343.890459
where:
bonds (distance) C4'-P energy: -49.003
bonds (distance) P-C4' energy: -68.226
flat angles C4'-P-C4' energy: -71.369
flat angles P-C4'-P energy: -53.289
tors. eta vs tors. theta energy: -102.003
Dist. restrs. and SS energy: 0.000 (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: 193
Temperature: 0.950000
Total energy: -1013.542597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.542597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.542597 (E_RNA)
where:
Base-Base interactions energy: -698.584
where: short stacking energy: -317.644
Base-Backbone interact. energy: 3.028
local terms energy: -317.986478
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -54.777
flat angles C4'-P-C4' energy: -69.653
flat angles P-C4'-P energy: -45.729
tors. eta vs tors. theta energy: -90.070
Dist. restrs. and SS energy: 0.000 (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: 193
Temperature: 1.000000
Total energy: -992.598669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.598669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.598669 (E_RNA)
where:
Base-Base interactions energy: -703.287
where: short stacking energy: -287.494
Base-Backbone interact. energy: -1.158
local terms energy: -288.153204
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -59.329
flat angles C4'-P-C4' energy: -62.953
flat angles P-C4'-P energy: -38.556
tors. eta vs tors. theta energy: -78.750
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: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -952.450131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.450131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.450131 (E_RNA)
where:
Base-Base interactions energy: -654.978
where: short stacking energy: -275.360
Base-Backbone interact. energy: -1.133
local terms energy: -296.339831
where:
bonds (distance) C4'-P energy: -47.452
bonds (distance) P-C4' energy: -62.679
flat angles C4'-P-C4' energy: -64.990
flat angles P-C4'-P energy: -45.094
tors. eta vs tors. theta energy: -76.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -864.828419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.828419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.828419 (E_RNA)
where:
Base-Base interactions energy: -593.209
where: short stacking energy: -251.640
Base-Backbone interact. energy: -0.163
local terms energy: -271.456104
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -53.830
flat angles C4'-P-C4' energy: -54.634
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -65.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -732.646702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.646702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.646702 (E_RNA)
where:
Base-Base interactions energy: -496.048
where: short stacking energy: -225.586
Base-Backbone interact. energy: -2.653
local terms energy: -233.945843
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -56.183
flat angles C4'-P-C4' energy: -46.665
flat angles P-C4'-P energy: -38.442
tors. eta vs tors. theta energy: -47.391
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: 7, replica: 3
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -755.778036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.778036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.778036 (E_RNA)
where:
Base-Base interactions energy: -481.399
where: short stacking energy: -204.896
Base-Backbone interact. energy: 3.562
local terms energy: -277.940351
where:
bonds (distance) C4'-P energy: -60.824
bonds (distance) P-C4' energy: -62.496
flat angles C4'-P-C4' energy: -51.094
flat angles P-C4'-P energy: -42.540
tors. eta vs tors. theta energy: -60.987
Dist. restrs. and SS energy: 0.000 (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: 193
Temperature: 1.250000
Total energy: -647.070161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.070161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.070161 (E_RNA)
where:
Base-Base interactions energy: -442.399
where: short stacking energy: -219.417
Base-Backbone interact. energy: -0.531
local terms energy: -204.139843
where:
bonds (distance) C4'-P energy: -44.343
bonds (distance) P-C4' energy: -41.002
flat angles C4'-P-C4' energy: -43.823
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -45.179
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: 9, replica: 7
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -494.438905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.438905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.438905 (E_RNA)
where:
Base-Base interactions energy: -308.940
where: short stacking energy: -151.779
Base-Backbone interact. energy: 3.040
local terms energy: -188.538162
where:
bonds (distance) C4'-P energy: -62.393
bonds (distance) P-C4' energy: -50.869
flat angles C4'-P-C4' energy: -46.484
flat angles P-C4'-P energy: -14.279
tors. eta vs tors. theta energy: -14.514
Dist. restrs. and SS energy: 0.000 (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: 193
Temperature: 1.350000
Total energy: -455.300268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.300268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.300268 (E_RNA)
where:
Base-Base interactions energy: -280.378
where: short stacking energy: -131.307
Base-Backbone interact. energy: 6.030
local terms energy: -180.952148
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -44.653
flat angles C4'-P-C4' energy: -41.647
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -11.058
Dist. restrs. and SS energy: 0.000 (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: 194
Temperature: 0.900000
Total energy: -1093.107007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.107007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.107007 (E_RNA)
where:
Base-Base interactions energy: -744.723
where: short stacking energy: -333.506
Base-Backbone interact. energy: -0.554
local terms energy: -347.829963
where:
bonds (distance) C4'-P energy: -61.636
bonds (distance) P-C4' energy: -65.612
flat angles C4'-P-C4' energy: -70.809
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -101.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1061.617720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.617720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.617720 (E_RNA)
where:
Base-Base interactions energy: -741.239
where: short stacking energy: -324.336
Base-Backbone interact. energy: -0.412
local terms energy: -319.966415
where:
bonds (distance) C4'-P energy: -63.159
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -43.913
tors. eta vs tors. theta energy: -89.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -972.448005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.448005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.448005 (E_RNA)
where:
Base-Base interactions energy: -671.156
where: short stacking energy: -286.629
Base-Backbone interact. energy: -1.920
local terms energy: -299.372372
where:
bonds (distance) C4'-P energy: -60.247
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -56.465
flat angles P-C4'-P energy: -42.691
tors. eta vs tors. theta energy: -79.277
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: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -962.257390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.257390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.257390 (E_RNA)
where:
Base-Base interactions energy: -650.041
where: short stacking energy: -279.348
Base-Backbone interact. energy: -0.275
local terms energy: -311.941913
where:
bonds (distance) C4'-P energy: -59.968
bonds (distance) P-C4' energy: -59.802
flat angles C4'-P-C4' energy: -70.248
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -82.313
Dist. restrs. and SS energy: 0.000 (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: 194
Temperature: 1.100000
Total energy: -877.948965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.948965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.948965 (E_RNA)
where:
Base-Base interactions energy: -597.550
where: short stacking energy: -250.847
Base-Backbone interact. energy: -0.972
local terms energy: -279.427390
where:
bonds (distance) C4'-P energy: -53.982
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -63.001
flat angles P-C4'-P energy: -43.528
tors. eta vs tors. theta energy: -70.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -721.212963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.212963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.212963 (E_RNA)
where:
Base-Base interactions energy: -475.379
where: short stacking energy: -204.332
Base-Backbone interact. energy: 2.344
local terms energy: -248.177828
where:
bonds (distance) C4'-P energy: -49.128
bonds (distance) P-C4' energy: -46.364
flat angles C4'-P-C4' energy: -59.991
flat angles P-C4'-P energy: -40.858
tors. eta vs tors. theta energy: -51.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -692.943065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.943065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.943065 (E_RNA)
where:
Base-Base interactions energy: -469.328
where: short stacking energy: -197.874
Base-Backbone interact. energy: -0.015
local terms energy: -223.599990
where:
bonds (distance) C4'-P energy: -50.266
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -50.599
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -39.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -610.189592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.189592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.189592 (E_RNA)
where:
Base-Base interactions energy: -391.489
where: short stacking energy: -176.326
Base-Backbone interact. energy: 0.865
local terms energy: -219.565640
where:
bonds (distance) C4'-P energy: -51.083
bonds (distance) P-C4' energy: -58.294
flat angles C4'-P-C4' energy: -41.351
flat angles P-C4'-P energy: -40.102
tors. eta vs tors. theta energy: -28.736
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: 194
Temperature: 1.300000
Total energy: -515.518535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.518535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.518535 (E_RNA)
where:
Base-Base interactions energy: -290.629
where: short stacking energy: -160.179
Base-Backbone interact. energy: 0.124
local terms energy: -225.013628
where:
bonds (distance) C4'-P energy: -48.527
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -47.914
flat angles P-C4'-P energy: -40.641
tors. eta vs tors. theta energy: -37.377
Dist. restrs. and SS energy: 0.000 (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: 194
Temperature: 1.350000
Total energy: -447.576125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.576125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.576125 (E_RNA)
where:
Base-Base interactions energy: -252.612
where: short stacking energy: -131.249
Base-Backbone interact. energy: -2.314
local terms energy: -192.649840
where:
bonds (distance) C4'-P energy: -39.307
bonds (distance) P-C4' energy: -57.480
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -27.104
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (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: 195
Temperature: 0.900000
Total energy: -1097.747809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.747809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.747809 (E_RNA)
where:
Base-Base interactions energy: -760.004
where: short stacking energy: -338.478
Base-Backbone interact. energy: -1.422
local terms energy: -336.322586
where:
bonds (distance) C4'-P energy: -60.151
bonds (distance) P-C4' energy: -64.458
flat angles C4'-P-C4' energy: -70.144
flat angles P-C4'-P energy: -36.011
tors. eta vs tors. theta energy: -105.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1040.237117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.237117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.237117 (E_RNA)
where:
Base-Base interactions energy: -714.607
where: short stacking energy: -301.752
Base-Backbone interact. energy: -0.138
local terms energy: -325.491709
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -64.733
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -52.678
tors. eta vs tors. theta energy: -83.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -981.001268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.001268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.001268 (E_RNA)
where:
Base-Base interactions energy: -677.290
where: short stacking energy: -289.115
Base-Backbone interact. energy: -0.248
local terms energy: -303.463234
where:
bonds (distance) C4'-P energy: -54.954
bonds (distance) P-C4' energy: -61.116
flat angles C4'-P-C4' energy: -58.906
flat angles P-C4'-P energy: -45.131
tors. eta vs tors. theta energy: -83.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -947.204044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.204044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.204044 (E_RNA)
where:
Base-Base interactions energy: -650.456
where: short stacking energy: -271.594
Base-Backbone interact. energy: -0.698
local terms energy: -296.049944
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -58.897
flat angles C4'-P-C4' energy: -64.474
flat angles P-C4'-P energy: -49.881
tors. eta vs tors. theta energy: -67.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -859.841432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.841432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.841432 (E_RNA)
where:
Base-Base interactions energy: -592.969
where: short stacking energy: -253.590
Base-Backbone interact. energy: -0.560
local terms energy: -266.312324
where:
bonds (distance) C4'-P energy: -52.503
bonds (distance) P-C4' energy: -58.199
flat angles C4'-P-C4' energy: -57.236
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: -65.456
Dist. restrs. and SS energy: 0.000 (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: 195
Temperature: 1.150000
Total energy: -715.615166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.615166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.615166 (E_RNA)
where:
Base-Base interactions energy: -474.356
where: short stacking energy: -216.439
Base-Backbone interact. energy: 0.314
local terms energy: -241.573457
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -56.728
flat angles C4'-P-C4' energy: -63.653
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: -41.910
Dist. restrs. and SS energy: 0.000 (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: 195
Temperature: 1.200000
Total energy: -700.547611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.547611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.547611 (E_RNA)
where:
Base-Base interactions energy: -470.660
where: short stacking energy: -205.547
Base-Backbone interact. energy: -3.546
local terms energy: -226.341928
where:
bonds (distance) C4'-P energy: -57.581
bonds (distance) P-C4' energy: -42.841
flat angles C4'-P-C4' energy: -57.838
flat angles P-C4'-P energy: -25.889
tors. eta vs tors. theta energy: -42.192
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: 8, replica: 4
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -603.143282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.143282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.143282 (E_RNA)
where:
Base-Base interactions energy: -372.520
where: short stacking energy: -171.461
Base-Backbone interact. energy: -1.250
local terms energy: -229.373086
where:
bonds (distance) C4'-P energy: -44.321
bonds (distance) P-C4' energy: -63.568
flat angles C4'-P-C4' energy: -54.558
flat angles P-C4'-P energy: -33.239
tors. eta vs tors. theta energy: -33.687
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: 7
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -491.379718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.379718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.379718 (E_RNA)
where:
Base-Base interactions energy: -284.220
where: short stacking energy: -129.837
Base-Backbone interact. energy: -1.499
local terms energy: -205.660405
where:
bonds (distance) C4'-P energy: -43.958
bonds (distance) P-C4' energy: -61.363
flat angles C4'-P-C4' energy: -53.436
flat angles P-C4'-P energy: -31.579
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.000 (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: 195
Temperature: 1.350000
Total energy: -476.375394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.375394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.375394 (E_RNA)
where:
Base-Base interactions energy: -290.725
where: short stacking energy: -155.314
Base-Backbone interact. energy: 0.531
local terms energy: -186.182112
where:
bonds (distance) C4'-P energy: -35.114
bonds (distance) P-C4' energy: -48.221
flat angles C4'-P-C4' energy: -51.205
flat angles P-C4'-P energy: -29.915
tors. eta vs tors. theta energy: -21.726
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: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1117.697671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.697671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.697671 (E_RNA)
where:
Base-Base interactions energy: -764.333
where: short stacking energy: -332.238
Base-Backbone interact. energy: -0.193
local terms energy: -353.171425
where:
bonds (distance) C4'-P energy: -62.212
bonds (distance) P-C4' energy: -62.345
flat angles C4'-P-C4' energy: -71.715
flat angles P-C4'-P energy: -54.246
tors. eta vs tors. theta energy: -102.653
Dist. restrs. and SS energy: 0.000 (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: 196
Temperature: 0.950000
Total energy: -1041.062363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.062363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.062363 (E_RNA)
where:
Base-Base interactions energy: -716.424
where: short stacking energy: -317.021
Base-Backbone interact. energy: -0.601
local terms energy: -324.037231
where:
bonds (distance) C4'-P energy: -58.892
bonds (distance) P-C4' energy: -52.182
flat angles C4'-P-C4' energy: -71.857
flat angles P-C4'-P energy: -52.199
tors. eta vs tors. theta energy: -88.907
Dist. restrs. and SS energy: 0.000 (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: 196
Temperature: 1.000000
Total energy: -967.422374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.422374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.422374 (E_RNA)
where:
Base-Base interactions energy: -670.801
where: short stacking energy: -292.175
Base-Backbone interact. energy: -0.512
local terms energy: -296.109423
where:
bonds (distance) C4'-P energy: -59.060
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -64.245
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -68.791
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: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -936.758485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.758485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.758485 (E_RNA)
where:
Base-Base interactions energy: -660.424
where: short stacking energy: -261.742
Base-Backbone interact. energy: -0.161
local terms energy: -276.173233
where:
bonds (distance) C4'-P energy: -53.823
bonds (distance) P-C4' energy: -56.078
flat angles C4'-P-C4' energy: -54.639
flat angles P-C4'-P energy: -37.994
tors. eta vs tors. theta energy: -73.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -864.932986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.932986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.932986 (E_RNA)
where:
Base-Base interactions energy: -593.592
where: short stacking energy: -254.939
Base-Backbone interact. energy: 1.183
local terms energy: -272.524197
where:
bonds (distance) C4'-P energy: -51.165
bonds (distance) P-C4' energy: -45.058
flat angles C4'-P-C4' energy: -63.441
flat angles P-C4'-P energy: -44.883
tors. eta vs tors. theta energy: -67.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -724.586772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.586772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.586772 (E_RNA)
where:
Base-Base interactions energy: -482.839
where: short stacking energy: -192.019
Base-Backbone interact. energy: 1.416
local terms energy: -243.163461
where:
bonds (distance) C4'-P energy: -51.994
bonds (distance) P-C4' energy: -64.839
flat angles C4'-P-C4' energy: -49.878
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -36.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -763.689608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.689608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.689608 (E_RNA)
where:
Base-Base interactions energy: -513.750
where: short stacking energy: -217.535
Base-Backbone interact. energy: -2.355
local terms energy: -247.583916
where:
bonds (distance) C4'-P energy: -53.116
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -53.177
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -57.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -587.458653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.458653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.458653 (E_RNA)
where:
Base-Base interactions energy: -365.567
where: short stacking energy: -165.068
Base-Backbone interact. energy: -0.025
local terms energy: -221.866800
where:
bonds (distance) C4'-P energy: -48.951
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -47.441
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -42.142
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: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -466.147683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.147683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.147683 (E_RNA)
where:
Base-Base interactions energy: -267.347
where: short stacking energy: -127.314
Base-Backbone interact. energy: -0.828
local terms energy: -197.973357
where:
bonds (distance) C4'-P energy: -56.231
bonds (distance) P-C4' energy: -50.941
flat angles C4'-P-C4' energy: -51.972
flat angles P-C4'-P energy: -30.155
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: 10, replica: 7
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -472.527894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.527894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.527894 (E_RNA)
where:
Base-Base interactions energy: -264.971
where: short stacking energy: -123.693
Base-Backbone interact. energy: -1.008
local terms energy: -206.548364
where:
bonds (distance) C4'-P energy: -46.866
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -50.147
flat angles P-C4'-P energy: -36.108
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1101.164140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.164140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.164140 (E_RNA)
where:
Base-Base interactions energy: -769.932
where: short stacking energy: -350.400
Base-Backbone interact. energy: -1.141
local terms energy: -330.091157
where:
bonds (distance) C4'-P energy: -58.564
bonds (distance) P-C4' energy: -51.173
flat angles C4'-P-C4' energy: -74.170
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -102.643
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: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1043.756193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.756193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.756193 (E_RNA)
where:
Base-Base interactions energy: -723.386
where: short stacking energy: -290.096
Base-Backbone interact. energy: 0.132
local terms energy: -320.502675
where:
bonds (distance) C4'-P energy: -64.987
bonds (distance) P-C4' energy: -49.549
flat angles C4'-P-C4' energy: -69.895
flat angles P-C4'-P energy: -48.146
tors. eta vs tors. theta energy: -87.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -992.635935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.635935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.635935 (E_RNA)
where:
Base-Base interactions energy: -679.432
where: short stacking energy: -283.509
Base-Backbone interact. energy: 0.135
local terms energy: -313.339576
where:
bonds (distance) C4'-P energy: -57.330
bonds (distance) P-C4' energy: -62.391
flat angles C4'-P-C4' energy: -68.934
flat angles P-C4'-P energy: -43.271
tors. eta vs tors. theta energy: -81.414
Dist. restrs. and SS energy: 0.000 (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: 197
Temperature: 1.050000
Total energy: -975.450862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.450862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.450862 (E_RNA)
where:
Base-Base interactions energy: -665.615
where: short stacking energy: -286.947
Base-Backbone interact. energy: 0.923
local terms energy: -310.758773
where:
bonds (distance) C4'-P energy: -54.512
bonds (distance) P-C4' energy: -62.344
flat angles C4'-P-C4' energy: -70.242
flat angles P-C4'-P energy: -43.173
tors. eta vs tors. theta energy: -80.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -883.823947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.823947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.823947 (E_RNA)
where:
Base-Base interactions energy: -595.524
where: short stacking energy: -268.029
Base-Backbone interact. energy: -1.167
local terms energy: -287.132775
where:
bonds (distance) C4'-P energy: -47.604
bonds (distance) P-C4' energy: -59.437
flat angles C4'-P-C4' energy: -62.888
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -72.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -756.299050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.299050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.299050 (E_RNA)
where:
Base-Base interactions energy: -487.490
where: short stacking energy: -224.771
Base-Backbone interact. energy: -0.848
local terms energy: -267.960992
where:
bonds (distance) C4'-P energy: -49.328
bonds (distance) P-C4' energy: -61.870
flat angles C4'-P-C4' energy: -64.101
flat angles P-C4'-P energy: -37.901
tors. eta vs tors. theta energy: -54.762
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: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -725.558499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.558499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.558499 (E_RNA)
where:
Base-Base interactions energy: -471.945
where: short stacking energy: -211.350
Base-Backbone interact. energy: -0.145
local terms energy: -253.468760
where:
bonds (distance) C4'-P energy: -60.422
bonds (distance) P-C4' energy: -61.733
flat angles C4'-P-C4' energy: -53.975
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: -44.589
Dist. restrs. and SS energy: 0.000 (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: 197
Temperature: 1.250000
Total energy: -647.571540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.571540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.571540 (E_RNA)
where:
Base-Base interactions energy: -421.156
where: short stacking energy: -199.242
Base-Backbone interact. energy: 0.112
local terms energy: -226.526584
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -53.104
flat angles C4'-P-C4' energy: -52.774
flat angles P-C4'-P energy: -33.187
tors. eta vs tors. theta energy: -42.461
Dist. restrs. and SS energy: 0.000 (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: 197
Temperature: 1.300000
Total energy: -492.699225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.699225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.699225 (E_RNA)
where:
Base-Base interactions energy: -296.845
where: short stacking energy: -153.253
Base-Backbone interact. energy: -0.237
local terms energy: -195.617346
where:
bonds (distance) C4'-P energy: -50.047
bonds (distance) P-C4' energy: -49.139
flat angles C4'-P-C4' energy: -42.821
flat angles P-C4'-P energy: -25.927
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -482.322812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.322812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.322812 (E_RNA)
where:
Base-Base interactions energy: -272.563
where: short stacking energy: -134.776
Base-Backbone interact. energy: -0.497
local terms energy: -209.262780
where:
bonds (distance) C4'-P energy: -52.622
bonds (distance) P-C4' energy: -56.974
flat angles C4'-P-C4' energy: -47.674
flat angles P-C4'-P energy: -27.998
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1101.651005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.651005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.651005 (E_RNA)
where:
Base-Base interactions energy: -766.682
where: short stacking energy: -343.784
Base-Backbone interact. energy: -1.613
local terms energy: -333.356415
where:
bonds (distance) C4'-P energy: -57.181
bonds (distance) P-C4' energy: -54.946
flat angles C4'-P-C4' energy: -65.901
flat angles P-C4'-P energy: -50.861
tors. eta vs tors. theta energy: -104.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1044.007738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.007738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.007738 (E_RNA)
where:
Base-Base interactions energy: -712.904
where: short stacking energy: -317.028
Base-Backbone interact. energy: -0.420
local terms energy: -330.683618
where:
bonds (distance) C4'-P energy: -62.233
bonds (distance) P-C4' energy: -59.134
flat angles C4'-P-C4' energy: -69.146
flat angles P-C4'-P energy: -50.110
tors. eta vs tors. theta energy: -90.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -971.788514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.788514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.788514 (E_RNA)
where:
Base-Base interactions energy: -683.976
where: short stacking energy: -301.716
Base-Backbone interact. energy: -1.355
local terms energy: -286.457023
where:
bonds (distance) C4'-P energy: -45.498
bonds (distance) P-C4' energy: -56.875
flat angles C4'-P-C4' energy: -60.777
flat angles P-C4'-P energy: -44.014
tors. eta vs tors. theta energy: -79.293
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: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -966.347947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.347947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.347947 (E_RNA)
where:
Base-Base interactions energy: -666.637
where: short stacking energy: -270.608
Base-Backbone interact. energy: -0.950
local terms energy: -298.760553
where:
bonds (distance) C4'-P energy: -54.774
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -67.305
flat angles P-C4'-P energy: -38.523
tors. eta vs tors. theta energy: -82.271
Dist. restrs. and SS energy: 0.000 (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: 198
Temperature: 1.100000
Total energy: -883.075585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.075585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.075585 (E_RNA)
where:
Base-Base interactions energy: -605.533
where: short stacking energy: -261.908
Base-Backbone interact. energy: -2.377
local terms energy: -275.165538
where:
bonds (distance) C4'-P energy: -52.631
bonds (distance) P-C4' energy: -62.153
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -43.796
tors. eta vs tors. theta energy: -68.556
Dist. restrs. and SS energy: 0.000 (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: 198
Temperature: 1.150000
Total energy: -759.689101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.689101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.689101 (E_RNA)
where:
Base-Base interactions energy: -505.165
where: short stacking energy: -217.305
Base-Backbone interact. energy: -1.682
local terms energy: -252.842058
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -52.484
flat angles C4'-P-C4' energy: -60.398
flat angles P-C4'-P energy: -41.409
tors. eta vs tors. theta energy: -52.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -706.716640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.716640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.716640 (E_RNA)
where:
Base-Base interactions energy: -468.268
where: short stacking energy: -216.683
Base-Backbone interact. energy: 2.209
local terms energy: -240.658313
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -65.252
flat angles C4'-P-C4' energy: -52.717
flat angles P-C4'-P energy: -39.512
tors. eta vs tors. theta energy: -44.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -635.343930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.343930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.343930 (E_RNA)
where:
Base-Base interactions energy: -409.430
where: short stacking energy: -191.155
Base-Backbone interact. energy: -0.145
local terms energy: -225.769339
where:
bonds (distance) C4'-P energy: -52.197
bonds (distance) P-C4' energy: -49.690
flat angles C4'-P-C4' energy: -46.672
flat angles P-C4'-P energy: -33.417
tors. eta vs tors. theta energy: -43.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -496.504857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.504857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.504857 (E_RNA)
where:
Base-Base interactions energy: -280.950
where: short stacking energy: -145.725
Base-Backbone interact. energy: -0.502
local terms energy: -215.053155
where:
bonds (distance) C4'-P energy: -55.489
bonds (distance) P-C4' energy: -46.815
flat angles C4'-P-C4' energy: -54.593
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -28.576
Dist. restrs. and SS energy: 0.000 (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: 198
Temperature: 1.350000
Total energy: -470.439915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.439915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.439915 (E_RNA)
where:
Base-Base interactions energy: -279.483
where: short stacking energy: -151.243
Base-Backbone interact. energy: 1.416
local terms energy: -192.372228
where:
bonds (distance) C4'-P energy: -54.628
bonds (distance) P-C4' energy: -38.586
flat angles C4'-P-C4' energy: -54.592
flat angles P-C4'-P energy: -28.853
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1083.019399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.019399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.019399 (E_RNA)
where:
Base-Base interactions energy: -739.219
where: short stacking energy: -336.608
Base-Backbone interact. energy: 0.612
local terms energy: -344.411485
where:
bonds (distance) C4'-P energy: -58.278
bonds (distance) P-C4' energy: -59.305
flat angles C4'-P-C4' energy: -70.654
flat angles P-C4'-P energy: -51.213
tors. eta vs tors. theta energy: -104.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1037.487060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.487060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.487060 (E_RNA)
where:
Base-Base interactions energy: -717.871
where: short stacking energy: -319.712
Base-Backbone interact. energy: 0.177
local terms energy: -319.793603
where:
bonds (distance) C4'-P energy: -54.218
bonds (distance) P-C4' energy: -64.555
flat angles C4'-P-C4' energy: -61.147
flat angles P-C4'-P energy: -44.453
tors. eta vs tors. theta energy: -95.419
Dist. restrs. and SS energy: 0.000 (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: 199
Temperature: 1.000000
Total energy: -1001.253080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.253080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.253080 (E_RNA)
where:
Base-Base interactions energy: -679.637
where: short stacking energy: -308.983
Base-Backbone interact. energy: -1.778
local terms energy: -319.838685
where:
bonds (distance) C4'-P energy: -61.296
bonds (distance) P-C4' energy: -60.210
flat angles C4'-P-C4' energy: -67.670
flat angles P-C4'-P energy: -48.625
tors. eta vs tors. theta energy: -82.038
Dist. restrs. and SS energy: 0.000 (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: 199
Temperature: 1.050000
Total energy: -950.970548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.970548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.970548 (E_RNA)
where:
Base-Base interactions energy: -649.783
where: short stacking energy: -259.230
Base-Backbone interact. energy: -1.315
local terms energy: -299.872562
where:
bonds (distance) C4'-P energy: -58.014
bonds (distance) P-C4' energy: -56.089
flat angles C4'-P-C4' energy: -67.081
flat angles P-C4'-P energy: -42.670
tors. eta vs tors. theta energy: -76.017
Dist. restrs. and SS energy: 0.000 (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: 199
Temperature: 1.100000
Total energy: -858.155970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.155970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.155970 (E_RNA)
where:
Base-Base interactions energy: -584.013
where: short stacking energy: -236.843
Base-Backbone interact. energy: 0.927
local terms energy: -275.069288
where:
bonds (distance) C4'-P energy: -60.228
bonds (distance) P-C4' energy: -54.421
flat angles C4'-P-C4' energy: -63.407
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: -62.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -773.102336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.102336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.102336 (E_RNA)
where:
Base-Base interactions energy: -509.574
where: short stacking energy: -225.156
Base-Backbone interact. energy: -1.443
local terms energy: -262.086212
where:
bonds (distance) C4'-P energy: -54.289
bonds (distance) P-C4' energy: -55.206
flat angles C4'-P-C4' energy: -64.620
flat angles P-C4'-P energy: -34.260
tors. eta vs tors. theta energy: -53.712
Dist. restrs. and SS energy: 0.000 (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: 199
Temperature: 1.200000
Total energy: -694.060792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.060792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.060792 (E_RNA)
where:
Base-Base interactions energy: -456.102
where: short stacking energy: -190.240
Base-Backbone interact. energy: -0.939
local terms energy: -237.019917
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -53.840
flat angles C4'-P-C4' energy: -62.553
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -32.714
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: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -639.607470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.607470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.607470 (E_RNA)
where:
Base-Base interactions energy: -430.618
where: short stacking energy: -204.652
Base-Backbone interact. energy: -1.371
local terms energy: -207.618499
where:
bonds (distance) C4'-P energy: -37.383
bonds (distance) P-C4' energy: -43.660
flat angles C4'-P-C4' energy: -51.325
flat angles P-C4'-P energy: -27.120
tors. eta vs tors. theta energy: -48.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -503.634571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.634571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.634571 (E_RNA)
where:
Base-Base interactions energy: -303.281
where: short stacking energy: -153.312
Base-Backbone interact. energy: -2.029
local terms energy: -198.324078
where:
bonds (distance) C4'-P energy: -53.198
bonds (distance) P-C4' energy: -47.765
flat angles C4'-P-C4' energy: -44.718
flat angles P-C4'-P energy: -25.454
tors. eta vs tors. theta energy: -27.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -477.549035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.549035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.549035 (E_RNA)
where:
Base-Base interactions energy: -279.642
where: short stacking energy: -144.909
Base-Backbone interact. energy: 0.145
local terms energy: -198.052450
where:
bonds (distance) C4'-P energy: -47.682
bonds (distance) P-C4' energy: -41.368
flat angles C4'-P-C4' energy: -47.324
flat angles P-C4'-P energy: -32.405
tors. eta vs tors. theta energy: -29.273
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: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1109.696589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.696589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.696589 (E_RNA)
where:
Base-Base interactions energy: -770.553
where: short stacking energy: -336.848
Base-Backbone interact. energy: -0.140
local terms energy: -339.003677
where:
bonds (distance) C4'-P energy: -55.277
bonds (distance) P-C4' energy: -65.769
flat angles C4'-P-C4' energy: -74.982
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -100.675
Dist. restrs. and SS energy: 0.000 (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: 200
Temperature: 0.950000
Total energy: -1037.743267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.743267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.743267 (E_RNA)
where:
Base-Base interactions energy: -711.949
where: short stacking energy: -306.111
Base-Backbone interact. energy: -0.392
local terms energy: -325.403096
where:
bonds (distance) C4'-P energy: -59.140
bonds (distance) P-C4' energy: -63.949
flat angles C4'-P-C4' energy: -67.165
flat angles P-C4'-P energy: -41.700
tors. eta vs tors. theta energy: -93.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -986.151706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.151706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.151706 (E_RNA)
where:
Base-Base interactions energy: -692.743
where: short stacking energy: -296.638
Base-Backbone interact. energy: -0.106
local terms energy: -293.303120
where:
bonds (distance) C4'-P energy: -46.554
bonds (distance) P-C4' energy: -54.903
flat angles C4'-P-C4' energy: -64.701
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: -83.623
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: 4, replica: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -905.967874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.967874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.967874 (E_RNA)
where:
Base-Base interactions energy: -620.627
where: short stacking energy: -270.878
Base-Backbone interact. energy: -1.023
local terms energy: -284.318169
where:
bonds (distance) C4'-P energy: -48.346
bonds (distance) P-C4' energy: -62.146
flat angles C4'-P-C4' energy: -62.747
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -74.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -887.659330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.659330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.659330 (E_RNA)
where:
Base-Base interactions energy: -608.098
where: short stacking energy: -248.746
Base-Backbone interact. energy: -0.969
local terms energy: -278.592515
where:
bonds (distance) C4'-P energy: -57.887
bonds (distance) P-C4' energy: -51.959
flat angles C4'-P-C4' energy: -56.560
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -66.866
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: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -765.540335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.540335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.540335 (E_RNA)
where:
Base-Base interactions energy: -514.584
where: short stacking energy: -225.665
Base-Backbone interact. energy: -0.468
local terms energy: -250.487715
where:
bonds (distance) C4'-P energy: -53.135
bonds (distance) P-C4' energy: -63.236
flat angles C4'-P-C4' energy: -55.856
flat angles P-C4'-P energy: -24.066
tors. eta vs tors. theta energy: -54.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -688.696513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.696513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.696513 (E_RNA)
where:
Base-Base interactions energy: -452.164
where: short stacking energy: -204.576
Base-Backbone interact. energy: 4.627
local terms energy: -241.159422
where:
bonds (distance) C4'-P energy: -41.279
bonds (distance) P-C4' energy: -60.442
flat angles C4'-P-C4' energy: -60.084
flat angles P-C4'-P energy: -36.565
tors. eta vs tors. theta energy: -42.789
Dist. restrs. and SS energy: 0.000 (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: 200
Temperature: 1.250000
Total energy: -694.481659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.481659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.481659 (E_RNA)
where:
Base-Base interactions energy: -469.438
where: short stacking energy: -216.458
Base-Backbone interact. energy: -1.828
local terms energy: -223.215750
where:
bonds (distance) C4'-P energy: -44.372
bonds (distance) P-C4' energy: -43.685
flat angles C4'-P-C4' energy: -58.339
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -53.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -489.334532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.334532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.334532 (E_RNA)
where:
Base-Base interactions energy: -291.847
where: short stacking energy: -143.961
Base-Backbone interact. energy: -2.402
local terms energy: -195.085124
where:
bonds (distance) C4'-P energy: -46.429
bonds (distance) P-C4' energy: -61.504
flat angles C4'-P-C4' energy: -43.625
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -19.731
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: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -484.418679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.418679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.418679 (E_RNA)
where:
Base-Base interactions energy: -272.023
where: short stacking energy: -151.591
Base-Backbone interact. energy: -0.088
local terms energy: -212.307646
where:
bonds (distance) C4'-P energy: -56.116
bonds (distance) P-C4' energy: -46.882
flat angles C4'-P-C4' energy: -57.752
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (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: 201
Temperature: 0.900000
Total energy: -1081.199786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.199786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.199786 (E_RNA)
where:
Base-Base interactions energy: -760.805
where: short stacking energy: -328.351
Base-Backbone interact. energy: -0.421
local terms energy: -319.974315
where:
bonds (distance) C4'-P energy: -55.227
bonds (distance) P-C4' energy: -50.367
flat angles C4'-P-C4' energy: -68.023
flat angles P-C4'-P energy: -47.419
tors. eta vs tors. theta energy: -98.939
Dist. restrs. and SS energy: 0.000 (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: 201
Temperature: 0.950000
Total energy: -1050.396137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.396137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.396137 (E_RNA)
where:
Base-Base interactions energy: -738.655
where: short stacking energy: -325.461
Base-Backbone interact. energy: -0.395
local terms energy: -311.346193
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -60.090
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -47.681
tors. eta vs tors. theta energy: -86.854
Dist. restrs. and SS energy: 0.000 (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: 201
Temperature: 1.000000
Total energy: -960.794879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.794879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.794879 (E_RNA)
where:
Base-Base interactions energy: -659.824
where: short stacking energy: -270.785
Base-Backbone interact. energy: -1.649
local terms energy: -299.321444
where:
bonds (distance) C4'-P energy: -58.198
bonds (distance) P-C4' energy: -61.911
flat angles C4'-P-C4' energy: -63.701
flat angles P-C4'-P energy: -39.739
tors. eta vs tors. theta energy: -75.772
Dist. restrs. and SS energy: 0.000 (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: 201
Temperature: 1.050000
Total energy: -912.163527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.163527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.163527 (E_RNA)
where:
Base-Base interactions energy: -639.072
where: short stacking energy: -252.347
Base-Backbone interact. energy: -1.711
local terms energy: -271.381089
where:
bonds (distance) C4'-P energy: -57.114
bonds (distance) P-C4' energy: -62.016
flat angles C4'-P-C4' energy: -51.574
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -61.667
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: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -900.097076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.097076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.097076 (E_RNA)
where:
Base-Base interactions energy: -619.305
where: short stacking energy: -270.062
Base-Backbone interact. energy: -1.634
local terms energy: -279.158688
where:
bonds (distance) C4'-P energy: -58.630
bonds (distance) P-C4' energy: -61.487
flat angles C4'-P-C4' energy: -59.680
flat angles P-C4'-P energy: -30.972
tors. eta vs tors. theta energy: -68.390
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: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -713.598006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.598006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.598006 (E_RNA)
where:
Base-Base interactions energy: -453.347
where: short stacking energy: -223.441
Base-Backbone interact. energy: -0.747
local terms energy: -259.504235
where:
bonds (distance) C4'-P energy: -52.816
bonds (distance) P-C4' energy: -60.652
flat angles C4'-P-C4' energy: -49.664
flat angles P-C4'-P energy: -42.713
tors. eta vs tors. theta energy: -53.659
Dist. restrs. and SS energy: 0.000 (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: 201
Temperature: 1.200000
Total energy: -678.448703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.448703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.448703 (E_RNA)
where:
Base-Base interactions energy: -436.483
where: short stacking energy: -189.462
Base-Backbone interact. energy: -0.118
local terms energy: -241.847319
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -56.482
flat angles C4'-P-C4' energy: -50.990
flat angles P-C4'-P energy: -39.949
tors. eta vs tors. theta energy: -42.973
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: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -699.907776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.907776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.907776 (E_RNA)
where:
Base-Base interactions energy: -458.887
where: short stacking energy: -206.696
Base-Backbone interact. energy: -0.595
local terms energy: -240.425420
where:
bonds (distance) C4'-P energy: -54.316
bonds (distance) P-C4' energy: -50.174
flat angles C4'-P-C4' energy: -54.794
flat angles P-C4'-P energy: -29.834
tors. eta vs tors. theta energy: -51.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -498.312752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.312752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.312752 (E_RNA)
where:
Base-Base interactions energy: -300.930
where: short stacking energy: -152.833
Base-Backbone interact. energy: 1.417
local terms energy: -198.799589
where:
bonds (distance) C4'-P energy: -43.847
bonds (distance) P-C4' energy: -47.676
flat angles C4'-P-C4' energy: -53.172
flat angles P-C4'-P energy: -30.393
tors. eta vs tors. theta energy: -23.711
Dist. restrs. and SS energy: 0.000 (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: 201
Temperature: 1.350000
Total energy: -497.166805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.166805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.166805 (E_RNA)
where:
Base-Base interactions energy: -293.704
where: short stacking energy: -140.915
Base-Backbone interact. energy: -2.078
local terms energy: -201.384487
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -52.710
flat angles C4'-P-C4' energy: -49.944
flat angles P-C4'-P energy: -37.531
tors. eta vs tors. theta energy: -17.183
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: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1097.756467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.756467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.756467 (E_RNA)
where:
Base-Base interactions energy: -768.368
where: short stacking energy: -328.584
Base-Backbone interact. energy: 0.649
local terms energy: -330.038009
where:
bonds (distance) C4'-P energy: -58.306
bonds (distance) P-C4' energy: -62.824
flat angles C4'-P-C4' energy: -70.384
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -95.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1044.690089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.690089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.690089 (E_RNA)
where:
Base-Base interactions energy: -703.497
where: short stacking energy: -313.219
Base-Backbone interact. energy: -0.504
local terms energy: -340.689275
where:
bonds (distance) C4'-P energy: -52.278
bonds (distance) P-C4' energy: -70.343
flat angles C4'-P-C4' energy: -72.554
flat angles P-C4'-P energy: -45.827
tors. eta vs tors. theta energy: -99.687
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: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -980.517786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.517786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.517786 (E_RNA)
where:
Base-Base interactions energy: -667.801
where: short stacking energy: -287.952
Base-Backbone interact. energy: -0.921
local terms energy: -311.796487
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -61.214
flat angles C4'-P-C4' energy: -66.763
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -76.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -952.955527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.955527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.955527 (E_RNA)
where:
Base-Base interactions energy: -650.162
where: short stacking energy: -281.689
Base-Backbone interact. energy: -1.056
local terms energy: -301.737374
where:
bonds (distance) C4'-P energy: -53.081
bonds (distance) P-C4' energy: -57.433
flat angles C4'-P-C4' energy: -67.089
flat angles P-C4'-P energy: -45.692
tors. eta vs tors. theta energy: -78.442
Dist. restrs. and SS energy: 0.000 (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: 202
Temperature: 1.100000
Total energy: -878.745365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.745365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.745365 (E_RNA)
where:
Base-Base interactions energy: -621.117
where: short stacking energy: -250.642
Base-Backbone interact. energy: -0.818
local terms energy: -256.810050
where:
bonds (distance) C4'-P energy: -43.892
bonds (distance) P-C4' energy: -47.667
flat angles C4'-P-C4' energy: -55.323
flat angles P-C4'-P energy: -44.931
tors. eta vs tors. theta energy: -64.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -689.549112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.549112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.549112 (E_RNA)
where:
Base-Base interactions energy: -459.537
where: short stacking energy: -198.046
Base-Backbone interact. energy: -1.418
local terms energy: -228.594593
where:
bonds (distance) C4'-P energy: -47.611
bonds (distance) P-C4' energy: -50.435
flat angles C4'-P-C4' energy: -41.654
flat angles P-C4'-P energy: -31.339
tors. eta vs tors. theta energy: -57.555
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: 7, replica: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -679.937267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.937267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.937267 (E_RNA)
where:
Base-Base interactions energy: -448.983
where: short stacking energy: -211.358
Base-Backbone interact. energy: -0.284
local terms energy: -230.670473
where:
bonds (distance) C4'-P energy: -45.152
bonds (distance) P-C4' energy: -58.383
flat angles C4'-P-C4' energy: -45.189
flat angles P-C4'-P energy: -34.828
tors. eta vs tors. theta energy: -47.118
Dist. restrs. and SS energy: 0.000 (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: 202
Temperature: 1.250000
Total energy: -657.860443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.860443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.860443 (E_RNA)
where:
Base-Base interactions energy: -441.352
where: short stacking energy: -193.690
Base-Backbone interact. energy: -2.174
local terms energy: -214.334654
where:
bonds (distance) C4'-P energy: -38.871
bonds (distance) P-C4' energy: -55.256
flat angles C4'-P-C4' energy: -45.126
flat angles P-C4'-P energy: -29.590
tors. eta vs tors. theta energy: -45.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -474.892102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.892102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.892102 (E_RNA)
where:
Base-Base interactions energy: -283.971
where: short stacking energy: -138.438
Base-Backbone interact. energy: 1.583
local terms energy: -192.504119
where:
bonds (distance) C4'-P energy: -38.461
bonds (distance) P-C4' energy: -48.287
flat angles C4'-P-C4' energy: -49.381
flat angles P-C4'-P energy: -40.217
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -471.541884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.541884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.541884 (E_RNA)
where:
Base-Base interactions energy: -279.963
where: short stacking energy: -140.008
Base-Backbone interact. energy: 3.510
local terms energy: -195.088579
where:
bonds (distance) C4'-P energy: -40.060
bonds (distance) P-C4' energy: -52.605
flat angles C4'-P-C4' energy: -48.610
flat angles P-C4'-P energy: -32.539
tors. eta vs tors. theta energy: -21.276
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: 203
Temperature: 0.900000
Total energy: -1088.271592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.271592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.271592 (E_RNA)
where:
Base-Base interactions energy: -745.015
where: short stacking energy: -326.428
Base-Backbone interact. energy: -0.103
local terms energy: -343.153379
where:
bonds (distance) C4'-P energy: -56.205
bonds (distance) P-C4' energy: -68.012
flat angles C4'-P-C4' energy: -70.658
flat angles P-C4'-P energy: -47.167
tors. eta vs tors. theta energy: -101.111
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: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1029.480659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.480659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.480659 (E_RNA)
where:
Base-Base interactions energy: -702.605
where: short stacking energy: -308.864
Base-Backbone interact. energy: -0.280
local terms energy: -326.595092
where:
bonds (distance) C4'-P energy: -50.768
bonds (distance) P-C4' energy: -68.839
flat angles C4'-P-C4' energy: -68.202
flat angles P-C4'-P energy: -50.449
tors. eta vs tors. theta energy: -88.336
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: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -999.711702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.711702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.711702 (E_RNA)
where:
Base-Base interactions energy: -680.499
where: short stacking energy: -290.890
Base-Backbone interact. energy: 0.954
local terms energy: -320.166784
where:
bonds (distance) C4'-P energy: -70.154
bonds (distance) P-C4' energy: -59.469
flat angles C4'-P-C4' energy: -59.765
flat angles P-C4'-P energy: -45.757
tors. eta vs tors. theta energy: -85.022
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: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -913.308715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.308715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.308715 (E_RNA)
where:
Base-Base interactions energy: -620.565
where: short stacking energy: -259.234
Base-Backbone interact. energy: -1.873
local terms energy: -290.870104
where:
bonds (distance) C4'-P energy: -51.516
bonds (distance) P-C4' energy: -57.356
flat angles C4'-P-C4' energy: -63.030
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -71.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -912.085121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.085121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.085121 (E_RNA)
where:
Base-Base interactions energy: -624.232
where: short stacking energy: -275.429
Base-Backbone interact. energy: -1.773
local terms energy: -286.080568
where:
bonds (distance) C4'-P energy: -44.909
bonds (distance) P-C4' energy: -56.046
flat angles C4'-P-C4' energy: -66.548
flat angles P-C4'-P energy: -40.649
tors. eta vs tors. theta energy: -77.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -679.408859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.408859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.408859 (E_RNA)
where:
Base-Base interactions energy: -426.475
where: short stacking energy: -198.454
Base-Backbone interact. energy: -1.444
local terms energy: -251.490184
where:
bonds (distance) C4'-P energy: -57.417
bonds (distance) P-C4' energy: -57.494
flat angles C4'-P-C4' energy: -57.137
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -43.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -691.507537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.507537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.507537 (E_RNA)
where:
Base-Base interactions energy: -456.631
where: short stacking energy: -202.396
Base-Backbone interact. energy: -0.730
local terms energy: -234.146294
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -52.711
flat angles C4'-P-C4' energy: -51.109
flat angles P-C4'-P energy: -36.324
tors. eta vs tors. theta energy: -46.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -688.036736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.036736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.036736 (E_RNA)
where:
Base-Base interactions energy: -444.101
where: short stacking energy: -209.991
Base-Backbone interact. energy: -0.430
local terms energy: -243.506152
where:
bonds (distance) C4'-P energy: -56.145
bonds (distance) P-C4' energy: -50.972
flat angles C4'-P-C4' energy: -59.263
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -48.092
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: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -512.597554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.597554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.597554 (E_RNA)
where:
Base-Base interactions energy: -319.660
where: short stacking energy: -158.210
Base-Backbone interact. energy: -1.941
local terms energy: -190.996698
where:
bonds (distance) C4'-P energy: -39.948
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -47.406
flat angles P-C4'-P energy: -23.530
tors. eta vs tors. theta energy: -29.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -456.341664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.341664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.341664 (E_RNA)
where:
Base-Base interactions energy: -259.005
where: short stacking energy: -138.018
Base-Backbone interact. energy: -0.823
local terms energy: -196.513100
where:
bonds (distance) C4'-P energy: -43.962
bonds (distance) P-C4' energy: -41.984
flat angles C4'-P-C4' energy: -53.821
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -26.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1094.462031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.462031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.462031 (E_RNA)
where:
Base-Base interactions energy: -756.144
where: short stacking energy: -335.540
Base-Backbone interact. energy: -1.310
local terms energy: -337.007415
where:
bonds (distance) C4'-P energy: -58.190
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -72.919
flat angles P-C4'-P energy: -52.981
tors. eta vs tors. theta energy: -89.851
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: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1037.835044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.835044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.835044 (E_RNA)
where:
Base-Base interactions energy: -721.921
where: short stacking energy: -319.958
Base-Backbone interact. energy: 1.521
local terms energy: -317.435443
where:
bonds (distance) C4'-P energy: -61.123
bonds (distance) P-C4' energy: -55.500
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -42.474
tors. eta vs tors. theta energy: -96.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -944.624851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.624851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.624851 (E_RNA)
where:
Base-Base interactions energy: -638.320
where: short stacking energy: -267.726
Base-Backbone interact. energy: -0.170
local terms energy: -306.134032
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -68.038
flat angles C4'-P-C4' energy: -66.420
flat angles P-C4'-P energy: -46.610
tors. eta vs tors. theta energy: -73.259
Dist. restrs. and SS energy: 0.000 (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: 204
Temperature: 1.050000
Total energy: -941.735581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.735581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.735581 (E_RNA)
where:
Base-Base interactions energy: -652.185
where: short stacking energy: -287.514
Base-Backbone interact. energy: -0.771
local terms energy: -288.779419
where:
bonds (distance) C4'-P energy: -48.172
bonds (distance) P-C4' energy: -56.007
flat angles C4'-P-C4' energy: -62.137
flat angles P-C4'-P energy: -44.380
tors. eta vs tors. theta energy: -78.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -914.969498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.969498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.969498 (E_RNA)
where:
Base-Base interactions energy: -638.926
where: short stacking energy: -271.139
Base-Backbone interact. energy: -0.031
local terms energy: -276.012333
where:
bonds (distance) C4'-P energy: -37.281
bonds (distance) P-C4' energy: -56.234
flat angles C4'-P-C4' energy: -64.011
flat angles P-C4'-P energy: -42.294
tors. eta vs tors. theta energy: -76.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -706.128963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.128963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.128963 (E_RNA)
where:
Base-Base interactions energy: -468.607
where: short stacking energy: -203.487
Base-Backbone interact. energy: -1.248
local terms energy: -236.274220
where:
bonds (distance) C4'-P energy: -56.535
bonds (distance) P-C4' energy: -49.190
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -46.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -689.555363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.555363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.555363 (E_RNA)
where:
Base-Base interactions energy: -463.290
where: short stacking energy: -200.082
Base-Backbone interact. energy: 1.799
local terms energy: -228.064625
where:
bonds (distance) C4'-P energy: -43.129
bonds (distance) P-C4' energy: -51.310
flat angles C4'-P-C4' energy: -54.675
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -38.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -663.661166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.661166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.661166 (E_RNA)
where:
Base-Base interactions energy: -429.101
where: short stacking energy: -172.647
Base-Backbone interact. energy: -2.039
local terms energy: -232.520828
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -57.397
flat angles C4'-P-C4' energy: -62.023
flat angles P-C4'-P energy: -29.681
tors. eta vs tors. theta energy: -41.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -490.214575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.214575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.214575 (E_RNA)
where:
Base-Base interactions energy: -280.402
where: short stacking energy: -128.497
Base-Backbone interact. energy: -2.180
local terms energy: -207.632312
where:
bonds (distance) C4'-P energy: -52.391
bonds (distance) P-C4' energy: -45.761
flat angles C4'-P-C4' energy: -57.013
flat angles P-C4'-P energy: -34.071
tors. eta vs tors. theta energy: -18.397
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: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -482.893069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.893069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.893069 (E_RNA)
where:
Base-Base interactions energy: -272.850
where: short stacking energy: -129.703
Base-Backbone interact. energy: -2.376
local terms energy: -207.666935
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -65.213
flat angles C4'-P-C4' energy: -49.122
flat angles P-C4'-P energy: -30.532
tors. eta vs tors. theta energy: -20.940
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: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1084.765316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.765316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.765316 (E_RNA)
where:
Base-Base interactions energy: -765.275
where: short stacking energy: -325.545
Base-Backbone interact. energy: -0.117
local terms energy: -319.373155
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -58.970
flat angles C4'-P-C4' energy: -69.843
flat angles P-C4'-P energy: -47.193
tors. eta vs tors. theta energy: -93.712
Dist. restrs. and SS energy: 0.000 (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: 205
Temperature: 0.950000
Total energy: -1027.855189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.855189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.855189 (E_RNA)
where:
Base-Base interactions energy: -709.195
where: short stacking energy: -307.380
Base-Backbone interact. energy: -0.325
local terms energy: -318.334872
where:
bonds (distance) C4'-P energy: -57.925
bonds (distance) P-C4' energy: -57.069
flat angles C4'-P-C4' energy: -69.152
flat angles P-C4'-P energy: -45.654
tors. eta vs tors. theta energy: -88.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -993.338209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.338209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.338209 (E_RNA)
where:
Base-Base interactions energy: -707.383
where: short stacking energy: -305.626
Base-Backbone interact. energy: -1.765
local terms energy: -284.190683
where:
bonds (distance) C4'-P energy: -53.591
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -64.665
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -77.839
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: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -973.389595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.389595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.389595 (E_RNA)
where:
Base-Base interactions energy: -674.824
where: short stacking energy: -285.342
Base-Backbone interact. energy: -1.578
local terms energy: -296.987139
where:
bonds (distance) C4'-P energy: -59.495
bonds (distance) P-C4' energy: -53.222
flat angles C4'-P-C4' energy: -67.035
flat angles P-C4'-P energy: -39.311
tors. eta vs tors. theta energy: -77.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -928.776456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.776456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.776456 (E_RNA)
where:
Base-Base interactions energy: -648.414
where: short stacking energy: -289.120
Base-Backbone interact. energy: -0.495
local terms energy: -279.867659
where:
bonds (distance) C4'-P energy: -52.777
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -38.888
tors. eta vs tors. theta energy: -81.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -731.558580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.558580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.558580 (E_RNA)
where:
Base-Base interactions energy: -499.045
where: short stacking energy: -210.307
Base-Backbone interact. energy: -2.450
local terms energy: -230.063142
where:
bonds (distance) C4'-P energy: -55.065
bonds (distance) P-C4' energy: -50.598
flat angles C4'-P-C4' energy: -54.299
flat angles P-C4'-P energy: -29.550
tors. eta vs tors. theta energy: -40.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -725.924312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.924312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.924312 (E_RNA)
where:
Base-Base interactions energy: -483.249
where: short stacking energy: -218.005
Base-Backbone interact. energy: 0.327
local terms energy: -243.001776
where:
bonds (distance) C4'-P energy: -50.682
bonds (distance) P-C4' energy: -50.462
flat angles C4'-P-C4' energy: -53.988
flat angles P-C4'-P energy: -34.635
tors. eta vs tors. theta energy: -53.235
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: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -650.536678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.536678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.536678 (E_RNA)
where:
Base-Base interactions energy: -422.487
where: short stacking energy: -187.653
Base-Backbone interact. energy: -1.073
local terms energy: -226.976582
where:
bonds (distance) C4'-P energy: -42.570
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -56.826
flat angles P-C4'-P energy: -33.588
tors. eta vs tors. theta energy: -44.741
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: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -471.843809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.843809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.843809 (E_RNA)
where:
Base-Base interactions energy: -276.039
where: short stacking energy: -150.585
Base-Backbone interact. energy: -1.727
local terms energy: -194.078031
where:
bonds (distance) C4'-P energy: -35.526
bonds (distance) P-C4' energy: -50.355
flat angles C4'-P-C4' energy: -60.951
flat angles P-C4'-P energy: -28.844
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (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: 205
Temperature: 1.350000
Total energy: -448.927677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.927677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.927677 (E_RNA)
where:
Base-Base interactions energy: -271.084
where: short stacking energy: -133.365
Base-Backbone interact. energy: -0.748
local terms energy: -177.095791
where:
bonds (distance) C4'-P energy: -42.363
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -37.567
flat angles P-C4'-P energy: -34.673
tors. eta vs tors. theta energy: -13.334
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: 1, replica: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1080.595988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.595988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.595988 (E_RNA)
where:
Base-Base interactions energy: -743.770
where: short stacking energy: -317.989
Base-Backbone interact. energy: -0.492
local terms energy: -336.334144
where:
bonds (distance) C4'-P energy: -63.921
bonds (distance) P-C4' energy: -66.139
flat angles C4'-P-C4' energy: -62.444
flat angles P-C4'-P energy: -45.330
tors. eta vs tors. theta energy: -98.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1026.498053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.498053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.498053 (E_RNA)
where:
Base-Base interactions energy: -694.785
where: short stacking energy: -301.941
Base-Backbone interact. energy: -0.399
local terms energy: -331.314628
where:
bonds (distance) C4'-P energy: -62.165
bonds (distance) P-C4' energy: -60.265
flat angles C4'-P-C4' energy: -71.306
flat angles P-C4'-P energy: -44.467
tors. eta vs tors. theta energy: -93.111
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: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -984.957344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.957344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.957344 (E_RNA)
where:
Base-Base interactions energy: -671.791
where: short stacking energy: -292.068
Base-Backbone interact. energy: -0.251
local terms energy: -312.915501
where:
bonds (distance) C4'-P energy: -62.209
bonds (distance) P-C4' energy: -53.547
flat angles C4'-P-C4' energy: -66.717
flat angles P-C4'-P energy: -43.056
tors. eta vs tors. theta energy: -87.387
Dist. restrs. and SS energy: 0.000 (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: 206
Temperature: 1.050000
Total energy: -915.089192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.089192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.089192 (E_RNA)
where:
Base-Base interactions energy: -617.717
where: short stacking energy: -266.002
Base-Backbone interact. energy: -2.268
local terms energy: -295.103560
where:
bonds (distance) C4'-P energy: -59.686
bonds (distance) P-C4' energy: -52.381
flat angles C4'-P-C4' energy: -66.701
flat angles P-C4'-P energy: -42.354
tors. eta vs tors. theta energy: -73.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -915.628259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.628259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.628259 (E_RNA)
where:
Base-Base interactions energy: -636.394
where: short stacking energy: -259.385
Base-Backbone interact. energy: -2.372
local terms energy: -276.862070
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -58.137
flat angles P-C4'-P energy: -42.128
tors. eta vs tors. theta energy: -75.622
Dist. restrs. and SS energy: 0.000 (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: 206
Temperature: 1.150000
Total energy: -711.474297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.474297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.474297 (E_RNA)
where:
Base-Base interactions energy: -469.710
where: short stacking energy: -205.900
Base-Backbone interact. energy: -1.275
local terms energy: -240.489483
where:
bonds (distance) C4'-P energy: -48.632
bonds (distance) P-C4' energy: -52.770
flat angles C4'-P-C4' energy: -56.706
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -49.230
Dist. restrs. and SS energy: 0.000 (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: 206
Temperature: 1.200000
Total energy: -729.667981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.667981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.667981 (E_RNA)
where:
Base-Base interactions energy: -502.441
where: short stacking energy: -223.708
Base-Backbone interact. energy: 0.071
local terms energy: -227.297927
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -49.275
flat angles C4'-P-C4' energy: -50.292
flat angles P-C4'-P energy: -40.671
tors. eta vs tors. theta energy: -43.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -655.523049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.523049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.523049 (E_RNA)
where:
Base-Base interactions energy: -401.294
where: short stacking energy: -194.922
Base-Backbone interact. energy: -1.610
local terms energy: -252.618652
where:
bonds (distance) C4'-P energy: -54.282
bonds (distance) P-C4' energy: -55.364
flat angles C4'-P-C4' energy: -54.458
flat angles P-C4'-P energy: -42.103
tors. eta vs tors. theta energy: -46.412
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: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -476.459505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.459505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.459505 (E_RNA)
where:
Base-Base interactions energy: -292.358
where: short stacking energy: -141.195
Base-Backbone interact. energy: -1.749
local terms energy: -182.352017
where:
bonds (distance) C4'-P energy: -55.378
bonds (distance) P-C4' energy: -46.794
flat angles C4'-P-C4' energy: -40.569
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (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: 206
Temperature: 1.350000
Total energy: -491.902949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.902949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.902949 (E_RNA)
where:
Base-Base interactions energy: -296.448
where: short stacking energy: -149.687
Base-Backbone interact. energy: -0.180
local terms energy: -195.274321
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -43.915
flat angles C4'-P-C4' energy: -57.510
flat angles P-C4'-P energy: -28.124
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1078.630433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.630433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.630433 (E_RNA)
where:
Base-Base interactions energy: -756.781
where: short stacking energy: -332.380
Base-Backbone interact. energy: -0.942
local terms energy: -320.907606
where:
bonds (distance) C4'-P energy: -55.401
bonds (distance) P-C4' energy: -54.614
flat angles C4'-P-C4' energy: -66.388
flat angles P-C4'-P energy: -44.061
tors. eta vs tors. theta energy: -100.444
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: 2, replica: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1018.188078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.188078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.188078 (E_RNA)
where:
Base-Base interactions energy: -713.417
where: short stacking energy: -311.720
Base-Backbone interact. energy: -0.724
local terms energy: -304.047564
where:
bonds (distance) C4'-P energy: -54.234
bonds (distance) P-C4' energy: -62.025
flat angles C4'-P-C4' energy: -60.880
flat angles P-C4'-P energy: -38.813
tors. eta vs tors. theta energy: -88.095
Dist. restrs. and SS energy: 0.000 (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: 207
Temperature: 1.000000
Total energy: -968.816909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.816909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.816909 (E_RNA)
where:
Base-Base interactions energy: -676.939
where: short stacking energy: -290.792
Base-Backbone interact. energy: 0.948
local terms energy: -292.826288
where:
bonds (distance) C4'-P energy: -56.686
bonds (distance) P-C4' energy: -48.348
flat angles C4'-P-C4' energy: -63.505
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -78.613
Dist. restrs. and SS energy: 0.000 (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: 207
Temperature: 1.050000
Total energy: -930.069196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.069196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.069196 (E_RNA)
where:
Base-Base interactions energy: -641.365
where: short stacking energy: -265.993
Base-Backbone interact. energy: -0.585
local terms energy: -288.119225
where:
bonds (distance) C4'-P energy: -58.681
bonds (distance) P-C4' energy: -59.976
flat angles C4'-P-C4' energy: -62.573
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: -77.773
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: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -901.859901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.859901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.859901 (E_RNA)
where:
Base-Base interactions energy: -624.850
where: short stacking energy: -269.116
Base-Backbone interact. energy: -1.293
local terms energy: -275.717554
where:
bonds (distance) C4'-P energy: -55.159
bonds (distance) P-C4' energy: -52.114
flat angles C4'-P-C4' energy: -56.916
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: -68.583
Dist. restrs. and SS energy: 0.000 (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: 207
Temperature: 1.150000
Total energy: -758.082358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.082358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.082358 (E_RNA)
where:
Base-Base interactions energy: -492.010
where: short stacking energy: -239.051
Base-Backbone interact. energy: -0.745
local terms energy: -265.327080
where:
bonds (distance) C4'-P energy: -58.456
bonds (distance) P-C4' energy: -50.526
flat angles C4'-P-C4' energy: -57.426
flat angles P-C4'-P energy: -43.608
tors. eta vs tors. theta energy: -55.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -695.391654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.391654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.391654 (E_RNA)
where:
Base-Base interactions energy: -452.113
where: short stacking energy: -191.349
Base-Backbone interact. energy: 0.290
local terms energy: -243.568440
where:
bonds (distance) C4'-P energy: -38.288
bonds (distance) P-C4' energy: -60.570
flat angles C4'-P-C4' energy: -55.522
flat angles P-C4'-P energy: -36.454
tors. eta vs tors. theta energy: -52.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -669.175519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.175519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.175519 (E_RNA)
where:
Base-Base interactions energy: -438.539
where: short stacking energy: -195.708
Base-Backbone interact. energy: 0.892
local terms energy: -231.528322
where:
bonds (distance) C4'-P energy: -56.985
bonds (distance) P-C4' energy: -51.541
flat angles C4'-P-C4' energy: -48.973
flat angles P-C4'-P energy: -38.297
tors. eta vs tors. theta energy: -35.733
Dist. restrs. and SS energy: 0.000 (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: 207
Temperature: 1.300000
Total energy: -529.484674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.484674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.484674 (E_RNA)
where:
Base-Base interactions energy: -314.250
where: short stacking energy: -162.026
Base-Backbone interact. energy: -1.120
local terms energy: -214.114488
where:
bonds (distance) C4'-P energy: -61.426
bonds (distance) P-C4' energy: -48.072
flat angles C4'-P-C4' energy: -47.376
flat angles P-C4'-P energy: -31.238
tors. eta vs tors. theta energy: -26.003
Dist. restrs. and SS energy: 0.000 (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: 207
Temperature: 1.350000
Total energy: -487.165630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.165630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.165630 (E_RNA)
where:
Base-Base interactions energy: -281.252
where: short stacking energy: -136.634
Base-Backbone interact. energy: -1.859
local terms energy: -204.054173
where:
bonds (distance) C4'-P energy: -49.307
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -47.579
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -24.290
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: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1082.441332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.441332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.441332 (E_RNA)
where:
Base-Base interactions energy: -737.804
where: short stacking energy: -333.134
Base-Backbone interact. energy: -0.362
local terms energy: -344.275901
where:
bonds (distance) C4'-P energy: -57.627
bonds (distance) P-C4' energy: -61.424
flat angles C4'-P-C4' energy: -70.257
flat angles P-C4'-P energy: -50.567
tors. eta vs tors. theta energy: -104.400
Dist. restrs. and SS energy: 0.000 (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: 208
Temperature: 0.950000
Total energy: -1029.591421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.591421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.591421 (E_RNA)
where:
Base-Base interactions energy: -721.668
where: short stacking energy: -312.657
Base-Backbone interact. energy: -1.076
local terms energy: -306.847165
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -52.087
flat angles C4'-P-C4' energy: -63.713
flat angles P-C4'-P energy: -44.963
tors. eta vs tors. theta energy: -90.759
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: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -993.000315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.000315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.000315 (E_RNA)
where:
Base-Base interactions energy: -680.594
where: short stacking energy: -288.296
Base-Backbone interact. energy: -1.024
local terms energy: -311.382257
where:
bonds (distance) C4'-P energy: -55.332
bonds (distance) P-C4' energy: -60.693
flat angles C4'-P-C4' energy: -72.517
flat angles P-C4'-P energy: -39.816
tors. eta vs tors. theta energy: -83.024
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: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -938.444057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.444057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.444057 (E_RNA)
where:
Base-Base interactions energy: -629.078
where: short stacking energy: -264.753
Base-Backbone interact. energy: -0.953
local terms energy: -308.413635
where:
bonds (distance) C4'-P energy: -58.236
bonds (distance) P-C4' energy: -59.863
flat angles C4'-P-C4' energy: -70.565
flat angles P-C4'-P energy: -51.756
tors. eta vs tors. theta energy: -67.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -874.801379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.801379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.801379 (E_RNA)
where:
Base-Base interactions energy: -605.061
where: short stacking energy: -255.972
Base-Backbone interact. energy: -1.253
local terms energy: -268.488215
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -49.763
flat angles C4'-P-C4' energy: -53.902
flat angles P-C4'-P energy: -38.088
tors. eta vs tors. theta energy: -73.290
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: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -724.874596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.874596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.874596 (E_RNA)
where:
Base-Base interactions energy: -486.494
where: short stacking energy: -224.505
Base-Backbone interact. energy: -1.915
local terms energy: -236.466274
where:
bonds (distance) C4'-P energy: -41.341
bonds (distance) P-C4' energy: -49.124
flat angles C4'-P-C4' energy: -56.181
flat angles P-C4'-P energy: -33.499
tors. eta vs tors. theta energy: -56.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -689.784515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.784515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.784515 (E_RNA)
where:
Base-Base interactions energy: -463.234
where: short stacking energy: -200.646
Base-Backbone interact. energy: -2.587
local terms energy: -223.964167
where:
bonds (distance) C4'-P energy: -54.392
bonds (distance) P-C4' energy: -54.106
flat angles C4'-P-C4' energy: -46.695
flat angles P-C4'-P energy: -24.121
tors. eta vs tors. theta energy: -44.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -637.452527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.452527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.452527 (E_RNA)
where:
Base-Base interactions energy: -423.107
where: short stacking energy: -195.316
Base-Backbone interact. energy: -0.152
local terms energy: -214.193484
where:
bonds (distance) C4'-P energy: -33.236
bonds (distance) P-C4' energy: -51.844
flat angles C4'-P-C4' energy: -54.093
flat angles P-C4'-P energy: -36.442
tors. eta vs tors. theta energy: -38.578
Dist. restrs. and SS energy: 0.000 (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: 208
Temperature: 1.300000
Total energy: -520.847526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.847526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.847526 (E_RNA)
where:
Base-Base interactions energy: -319.667
where: short stacking energy: -147.968
Base-Backbone interact. energy: 0.282
local terms energy: -201.462605
where:
bonds (distance) C4'-P energy: -56.103
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -54.659
flat angles P-C4'-P energy: -25.292
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -461.057044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.057044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.057044 (E_RNA)
where:
Base-Base interactions energy: -258.658
where: short stacking energy: -134.389
Base-Backbone interact. energy: 1.809
local terms energy: -204.207886
where:
bonds (distance) C4'-P energy: -45.699
bonds (distance) P-C4' energy: -55.446
flat angles C4'-P-C4' energy: -55.381
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -19.402
Dist. restrs. and SS energy: 0.000 (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: 209
Temperature: 0.900000
Total energy: -1079.769095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.769095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.769095 (E_RNA)
where:
Base-Base interactions energy: -746.690
where: short stacking energy: -326.311
Base-Backbone interact. energy: -0.350
local terms energy: -332.729169
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -64.171
flat angles C4'-P-C4' energy: -66.228
flat angles P-C4'-P energy: -47.564
tors. eta vs tors. theta energy: -95.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1030.703414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.703414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.703414 (E_RNA)
where:
Base-Base interactions energy: -715.603
where: short stacking energy: -308.333
Base-Backbone interact. energy: -1.670
local terms energy: -313.430054
where:
bonds (distance) C4'-P energy: -53.465
bonds (distance) P-C4' energy: -65.482
flat angles C4'-P-C4' energy: -68.030
flat angles P-C4'-P energy: -46.034
tors. eta vs tors. theta energy: -80.418
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: 8
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -997.222046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.222046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.222046 (E_RNA)
where:
Base-Base interactions energy: -688.967
where: short stacking energy: -299.571
Base-Backbone interact. energy: -0.994
local terms energy: -307.261383
where:
bonds (distance) C4'-P energy: -53.617
bonds (distance) P-C4' energy: -54.182
flat angles C4'-P-C4' energy: -70.381
flat angles P-C4'-P energy: -46.400
tors. eta vs tors. theta energy: -82.681
Dist. restrs. and SS energy: 0.000 (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: 209
Temperature: 1.050000
Total energy: -914.696830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.696830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.696830 (E_RNA)
where:
Base-Base interactions energy: -625.395
where: short stacking energy: -268.866
Base-Backbone interact. energy: -2.222
local terms energy: -287.080203
where:
bonds (distance) C4'-P energy: -55.277
bonds (distance) P-C4' energy: -57.714
flat angles C4'-P-C4' energy: -62.178
flat angles P-C4'-P energy: -37.257
tors. eta vs tors. theta energy: -74.655
Dist. restrs. and SS energy: 0.000 (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: 209
Temperature: 1.100000
Total energy: -887.491929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.491929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.491929 (E_RNA)
where:
Base-Base interactions energy: -601.008
where: short stacking energy: -258.069
Base-Backbone interact. energy: -1.112
local terms energy: -285.371878
where:
bonds (distance) C4'-P energy: -53.708
bonds (distance) P-C4' energy: -63.133
flat angles C4'-P-C4' energy: -61.945
flat angles P-C4'-P energy: -36.733
tors. eta vs tors. theta energy: -69.853
Dist. restrs. and SS energy: 0.000 (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: 209
Temperature: 1.150000
Total energy: -717.810817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.810817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.810817 (E_RNA)
where:
Base-Base interactions energy: -467.108
where: short stacking energy: -212.006
Base-Backbone interact. energy: -3.112
local terms energy: -247.590586
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -52.919
flat angles C4'-P-C4' energy: -53.431
flat angles P-C4'-P energy: -37.798
tors. eta vs tors. theta energy: -56.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -707.436695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.436695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.436695 (E_RNA)
where:
Base-Base interactions energy: -451.873
where: short stacking energy: -215.024
Base-Backbone interact. energy: -0.717
local terms energy: -254.847262
where:
bonds (distance) C4'-P energy: -47.808
bonds (distance) P-C4' energy: -59.609
flat angles C4'-P-C4' energy: -54.801
flat angles P-C4'-P energy: -35.458
tors. eta vs tors. theta energy: -57.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -658.416376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.416376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.416376 (E_RNA)
where:
Base-Base interactions energy: -427.490
where: short stacking energy: -201.800
Base-Backbone interact. energy: 1.368
local terms energy: -232.293909
where:
bonds (distance) C4'-P energy: -48.878
bonds (distance) P-C4' energy: -52.282
flat angles C4'-P-C4' energy: -46.455
flat angles P-C4'-P energy: -36.345
tors. eta vs tors. theta energy: -48.335
Dist. restrs. and SS energy: 0.000 (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: 209
Temperature: 1.300000
Total energy: -501.091098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.091098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.091098 (E_RNA)
where:
Base-Base interactions energy: -295.242
where: short stacking energy: -147.627
Base-Backbone interact. energy: 0.234
local terms energy: -206.083207
where:
bonds (distance) C4'-P energy: -54.443
bonds (distance) P-C4' energy: -44.453
flat angles C4'-P-C4' energy: -42.847
flat angles P-C4'-P energy: -30.877
tors. eta vs tors. theta energy: -33.464
Dist. restrs. and SS energy: 0.000 (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: 209
Temperature: 1.350000
Total energy: -454.579997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.579997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.579997 (E_RNA)
where:
Base-Base interactions energy: -279.171
where: short stacking energy: -147.051
Base-Backbone interact. energy: 4.784
local terms energy: -180.192415
where:
bonds (distance) C4'-P energy: -31.460
bonds (distance) P-C4' energy: -46.305
flat angles C4'-P-C4' energy: -45.550
flat angles P-C4'-P energy: -32.397
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1066.028928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.028928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.028928 (E_RNA)
where:
Base-Base interactions energy: -722.178
where: short stacking energy: -314.403
Base-Backbone interact. energy: -0.339
local terms energy: -343.512222
where:
bonds (distance) C4'-P energy: -60.557
bonds (distance) P-C4' energy: -59.441
flat angles C4'-P-C4' energy: -71.560
flat angles P-C4'-P energy: -48.506
tors. eta vs tors. theta energy: -103.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1024.002283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.002283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.002283 (E_RNA)
where:
Base-Base interactions energy: -720.007
where: short stacking energy: -327.673
Base-Backbone interact. energy: -0.171
local terms energy: -303.823898
where:
bonds (distance) C4'-P energy: -49.666
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -62.961
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -91.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -965.078729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.078729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.078729 (E_RNA)
where:
Base-Base interactions energy: -682.061
where: short stacking energy: -293.221
Base-Backbone interact. energy: -0.443
local terms energy: -282.575145
where:
bonds (distance) C4'-P energy: -59.668
bonds (distance) P-C4' energy: -48.692
flat angles C4'-P-C4' energy: -59.868
flat angles P-C4'-P energy: -38.758
tors. eta vs tors. theta energy: -75.589
Dist. restrs. and SS energy: 0.000 (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: 210
Temperature: 1.050000
Total energy: -911.350681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.350681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.350681 (E_RNA)
where:
Base-Base interactions energy: -640.017
where: short stacking energy: -279.604
Base-Backbone interact. energy: -1.442
local terms energy: -269.891624
where:
bonds (distance) C4'-P energy: -50.393
bonds (distance) P-C4' energy: -54.707
flat angles C4'-P-C4' energy: -59.708
flat angles P-C4'-P energy: -37.296
tors. eta vs tors. theta energy: -67.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -896.476799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.476799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.476799 (E_RNA)
where:
Base-Base interactions energy: -606.913
where: short stacking energy: -259.687
Base-Backbone interact. energy: -2.073
local terms energy: -287.490492
where:
bonds (distance) C4'-P energy: -50.512
bonds (distance) P-C4' energy: -61.976
flat angles C4'-P-C4' energy: -68.156
flat angles P-C4'-P energy: -36.952
tors. eta vs tors. theta energy: -69.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -708.923790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.923790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.923790 (E_RNA)
where:
Base-Base interactions energy: -451.570
where: short stacking energy: -190.330
Base-Backbone interact. energy: -3.026
local terms energy: -254.328247
where:
bonds (distance) C4'-P energy: -59.482
bonds (distance) P-C4' energy: -56.319
flat angles C4'-P-C4' energy: -62.043
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -41.876
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: 7, replica: 4
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -717.976529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.976529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.976529 (E_RNA)
where:
Base-Base interactions energy: -467.266
where: short stacking energy: -215.843
Base-Backbone interact. energy: -0.449
local terms energy: -250.262254
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -53.554
flat angles C4'-P-C4' energy: -64.094
flat angles P-C4'-P energy: -35.706
tors. eta vs tors. theta energy: -47.433
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: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -671.144466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.144466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.144466 (E_RNA)
where:
Base-Base interactions energy: -449.431
where: short stacking energy: -224.164
Base-Backbone interact. energy: -0.606
local terms energy: -221.107532
where:
bonds (distance) C4'-P energy: -36.286
bonds (distance) P-C4' energy: -41.574
flat angles C4'-P-C4' energy: -52.572
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -56.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -473.601434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.601434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.601434 (E_RNA)
where:
Base-Base interactions energy: -289.249
where: short stacking energy: -148.164
Base-Backbone interact. energy: -0.872
local terms energy: -183.480021
where:
bonds (distance) C4'-P energy: -42.558
bonds (distance) P-C4' energy: -51.682
flat angles C4'-P-C4' energy: -41.094
flat angles P-C4'-P energy: -24.261
tors. eta vs tors. theta energy: -23.884
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: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -486.872398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.872398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.872398 (E_RNA)
where:
Base-Base interactions energy: -290.519
where: short stacking energy: -160.238
Base-Backbone interact. energy: -1.729
local terms energy: -194.624890
where:
bonds (distance) C4'-P energy: -44.677
bonds (distance) P-C4' energy: -46.101
flat angles C4'-P-C4' energy: -38.114
flat angles P-C4'-P energy: -32.153
tors. eta vs tors. theta energy: -33.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1070.360997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.360997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.360997 (E_RNA)
where:
Base-Base interactions energy: -735.684
where: short stacking energy: -328.076
Base-Backbone interact. energy: -1.471
local terms energy: -333.205634
where:
bonds (distance) C4'-P energy: -56.754
bonds (distance) P-C4' energy: -63.490
flat angles C4'-P-C4' energy: -67.719
flat angles P-C4'-P energy: -50.668
tors. eta vs tors. theta energy: -94.575
Dist. restrs. and SS energy: 0.000 (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: 211
Temperature: 0.950000
Total energy: -1037.265729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.265729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.265729 (E_RNA)
where:
Base-Base interactions energy: -735.282
where: short stacking energy: -318.000
Base-Backbone interact. energy: -0.447
local terms energy: -301.536866
where:
bonds (distance) C4'-P energy: -52.265
bonds (distance) P-C4' energy: -56.904
flat angles C4'-P-C4' energy: -64.990
flat angles P-C4'-P energy: -34.886
tors. eta vs tors. theta energy: -92.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -982.850535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.850535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.850535 (E_RNA)
where:
Base-Base interactions energy: -678.603
where: short stacking energy: -298.253
Base-Backbone interact. energy: -1.490
local terms energy: -302.757710
where:
bonds (distance) C4'-P energy: -55.164
bonds (distance) P-C4' energy: -56.924
flat angles C4'-P-C4' energy: -64.168
flat angles P-C4'-P energy: -47.869
tors. eta vs tors. theta energy: -78.633
Dist. restrs. and SS energy: 0.000 (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: 211
Temperature: 1.050000
Total energy: -990.093958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.093958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.093958 (E_RNA)
where:
Base-Base interactions energy: -684.701
where: short stacking energy: -291.880
Base-Backbone interact. energy: 0.289
local terms energy: -305.681562
where:
bonds (distance) C4'-P energy: -54.274
bonds (distance) P-C4' energy: -54.904
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -83.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -912.637778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.637778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.637778 (E_RNA)
where:
Base-Base interactions energy: -646.249
where: short stacking energy: -293.721
Base-Backbone interact. energy: -1.043
local terms energy: -265.346459
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -86.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -790.794489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.794489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.794489 (E_RNA)
where:
Base-Base interactions energy: -534.402
where: short stacking energy: -252.907
Base-Backbone interact. energy: -2.516
local terms energy: -253.876311
where:
bonds (distance) C4'-P energy: -47.578
bonds (distance) P-C4' energy: -48.233
flat angles C4'-P-C4' energy: -53.907
flat angles P-C4'-P energy: -34.314
tors. eta vs tors. theta energy: -69.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -698.726753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.726753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.726753 (E_RNA)
where:
Base-Base interactions energy: -466.788
where: short stacking energy: -213.985
Base-Backbone interact. energy: -0.284
local terms energy: -231.655082
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -55.707
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -54.091
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: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -659.847235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.847235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.847235 (E_RNA)
where:
Base-Base interactions energy: -450.049
where: short stacking energy: -188.878
Base-Backbone interact. energy: 0.343
local terms energy: -210.141976
where:
bonds (distance) C4'-P energy: -42.982
bonds (distance) P-C4' energy: -47.701
flat angles C4'-P-C4' energy: -49.789
flat angles P-C4'-P energy: -27.875
tors. eta vs tors. theta energy: -41.794
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: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -500.989493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.989493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.989493 (E_RNA)
where:
Base-Base interactions energy: -294.204
where: short stacking energy: -141.266
Base-Backbone interact. energy: 0.121
local terms energy: -206.907023
where:
bonds (distance) C4'-P energy: -56.002
bonds (distance) P-C4' energy: -36.562
flat angles C4'-P-C4' energy: -58.943
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (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: 211
Temperature: 1.350000
Total energy: -495.173307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.173307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.173307 (E_RNA)
where:
Base-Base interactions energy: -311.797
where: short stacking energy: -135.311
Base-Backbone interact. energy: -0.199
local terms energy: -183.177427
where:
bonds (distance) C4'-P energy: -34.858
bonds (distance) P-C4' energy: -54.757
flat angles C4'-P-C4' energy: -39.641
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (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: 212
Temperature: 0.900000
Total energy: -1074.807478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.807478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.807478 (E_RNA)
where:
Base-Base interactions energy: -748.336
where: short stacking energy: -327.705
Base-Backbone interact. energy: -0.625
local terms energy: -325.846980
where:
bonds (distance) C4'-P energy: -49.746
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -72.745
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -97.607
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: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1037.210271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.210271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.210271 (E_RNA)
where:
Base-Base interactions energy: -728.101
where: short stacking energy: -314.957
Base-Backbone interact. energy: 0.747
local terms energy: -309.855998
where:
bonds (distance) C4'-P energy: -55.886
bonds (distance) P-C4' energy: -63.870
flat angles C4'-P-C4' energy: -57.760
flat angles P-C4'-P energy: -42.413
tors. eta vs tors. theta energy: -89.927
Dist. restrs. and SS energy: 0.000 (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: 212
Temperature: 1.000000
Total energy: -1024.358042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.358042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.358042 (E_RNA)
where:
Base-Base interactions energy: -709.378
where: short stacking energy: -313.889
Base-Backbone interact. energy: -0.677
local terms energy: -314.303073
where:
bonds (distance) C4'-P energy: -56.745
bonds (distance) P-C4' energy: -59.833
flat angles C4'-P-C4' energy: -70.860
flat angles P-C4'-P energy: -37.812
tors. eta vs tors. theta energy: -89.054
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: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -961.974280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.974280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.974280 (E_RNA)
where:
Base-Base interactions energy: -663.237
where: short stacking energy: -281.365
Base-Backbone interact. energy: -3.006
local terms energy: -295.731622
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -63.219
flat angles C4'-P-C4' energy: -58.741
flat angles P-C4'-P energy: -35.483
tors. eta vs tors. theta energy: -82.390
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: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -921.729689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.729689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.729689 (E_RNA)
where:
Base-Base interactions energy: -640.396
where: short stacking energy: -276.278
Base-Backbone interact. energy: -0.799
local terms energy: -280.534970
where:
bonds (distance) C4'-P energy: -52.241
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -61.500
flat angles P-C4'-P energy: -36.059
tors. eta vs tors. theta energy: -75.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -799.114867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.114867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.114867 (E_RNA)
where:
Base-Base interactions energy: -522.892
where: short stacking energy: -258.406
Base-Backbone interact. energy: -0.464
local terms energy: -275.758444
where:
bonds (distance) C4'-P energy: -53.772
bonds (distance) P-C4' energy: -57.058
flat angles C4'-P-C4' energy: -57.457
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -75.168
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: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -722.582566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.582566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.582566 (E_RNA)
where:
Base-Base interactions energy: -469.553
where: short stacking energy: -218.841
Base-Backbone interact. energy: 0.693
local terms energy: -253.723073
where:
bonds (distance) C4'-P energy: -50.816
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -54.195
flat angles P-C4'-P energy: -27.948
tors. eta vs tors. theta energy: -62.886
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: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -659.180219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.180219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.180219 (E_RNA)
where:
Base-Base interactions energy: -427.046
where: short stacking energy: -194.153
Base-Backbone interact. energy: -1.571
local terms energy: -230.563696
where:
bonds (distance) C4'-P energy: -50.498
bonds (distance) P-C4' energy: -53.817
flat angles C4'-P-C4' energy: -52.798
flat angles P-C4'-P energy: -26.952
tors. eta vs tors. theta energy: -46.498
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: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -474.967028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.967028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.967028 (E_RNA)
where:
Base-Base interactions energy: -292.184
where: short stacking energy: -154.125
Base-Backbone interact. energy: 2.722
local terms energy: -185.504852
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -52.421
flat angles P-C4'-P energy: -20.213
tors. eta vs tors. theta energy: -25.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -470.575788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.575788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.575788 (E_RNA)
where:
Base-Base interactions energy: -275.663
where: short stacking energy: -138.750
Base-Backbone interact. energy: -1.119
local terms energy: -193.793308
where:
bonds (distance) C4'-P energy: -51.783
bonds (distance) P-C4' energy: -48.339
flat angles C4'-P-C4' energy: -45.668
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1055.024356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.024356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.024356 (E_RNA)
where:
Base-Base interactions energy: -724.215
where: short stacking energy: -310.031
Base-Backbone interact. energy: -0.970
local terms energy: -329.838896
where:
bonds (distance) C4'-P energy: -55.020
bonds (distance) P-C4' energy: -69.925
flat angles C4'-P-C4' energy: -73.816
flat angles P-C4'-P energy: -44.237
tors. eta vs tors. theta energy: -86.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1039.889473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.889473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.889473 (E_RNA)
where:
Base-Base interactions energy: -728.375
where: short stacking energy: -317.670
Base-Backbone interact. energy: -0.119
local terms energy: -311.396168
where:
bonds (distance) C4'-P energy: -51.058
bonds (distance) P-C4' energy: -64.848
flat angles C4'-P-C4' energy: -65.073
flat angles P-C4'-P energy: -39.673
tors. eta vs tors. theta energy: -90.744
Dist. restrs. and SS energy: 0.000 (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: 213
Temperature: 1.000000
Total energy: -1038.134458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.134458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.134458 (E_RNA)
where:
Base-Base interactions energy: -723.345
where: short stacking energy: -308.134
Base-Backbone interact. energy: -1.348
local terms energy: -313.440728
where:
bonds (distance) C4'-P energy: -56.620
bonds (distance) P-C4' energy: -62.839
flat angles C4'-P-C4' energy: -65.664
flat angles P-C4'-P energy: -41.803
tors. eta vs tors. theta energy: -86.515
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: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -930.132135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.132135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.132135 (E_RNA)
where:
Base-Base interactions energy: -650.098
where: short stacking energy: -251.190
Base-Backbone interact. energy: -0.804
local terms energy: -279.230718
where:
bonds (distance) C4'-P energy: -51.213
bonds (distance) P-C4' energy: -60.929
flat angles C4'-P-C4' energy: -56.002
flat angles P-C4'-P energy: -42.732
tors. eta vs tors. theta energy: -68.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -919.399063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.399063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.399063 (E_RNA)
where:
Base-Base interactions energy: -637.872
where: short stacking energy: -266.725
Base-Backbone interact. energy: -0.975
local terms energy: -280.552012
where:
bonds (distance) C4'-P energy: -47.923
bonds (distance) P-C4' energy: -62.490
flat angles C4'-P-C4' energy: -58.574
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -72.969
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: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -768.427321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.427321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.427321 (E_RNA)
where:
Base-Base interactions energy: -532.533
where: short stacking energy: -230.187
Base-Backbone interact. energy: -0.976
local terms energy: -234.918510
where:
bonds (distance) C4'-P energy: -37.051
bonds (distance) P-C4' energy: -46.355
flat angles C4'-P-C4' energy: -55.240
flat angles P-C4'-P energy: -36.504
tors. eta vs tors. theta energy: -59.768
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: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -704.779719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.779719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.779719 (E_RNA)
where:
Base-Base interactions energy: -468.600
where: short stacking energy: -203.380
Base-Backbone interact. energy: -1.417
local terms energy: -234.763211
where:
bonds (distance) C4'-P energy: -48.740
bonds (distance) P-C4' energy: -51.379
flat angles C4'-P-C4' energy: -53.867
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -52.432
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: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -679.104645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.104645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.104645 (E_RNA)
where:
Base-Base interactions energy: -426.082
where: short stacking energy: -185.650
Base-Backbone interact. energy: -2.924
local terms energy: -250.098956
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -56.711
flat angles C4'-P-C4' energy: -55.391
flat angles P-C4'-P energy: -45.196
tors. eta vs tors. theta energy: -40.965
Dist. restrs. and SS energy: 0.000 (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: 213
Temperature: 1.300000
Total energy: -498.651434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.651434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.651434 (E_RNA)
where:
Base-Base interactions energy: -291.392
where: short stacking energy: -135.099
Base-Backbone interact. energy: -0.771
local terms energy: -206.488584
where:
bonds (distance) C4'-P energy: -45.547
bonds (distance) P-C4' energy: -54.440
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -40.256
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -473.638930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.638930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.638930 (E_RNA)
where:
Base-Base interactions energy: -281.922
where: short stacking energy: -151.311
Base-Backbone interact. energy: -1.801
local terms energy: -189.915307
where:
bonds (distance) C4'-P energy: -32.370
bonds (distance) P-C4' energy: -52.265
flat angles C4'-P-C4' energy: -58.624
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -29.736
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: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1077.147984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.147984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.147984 (E_RNA)
where:
Base-Base interactions energy: -735.074
where: short stacking energy: -335.759
Base-Backbone interact. energy: 0.323
local terms energy: -342.397542
where:
bonds (distance) C4'-P energy: -61.721
bonds (distance) P-C4' energy: -67.100
flat angles C4'-P-C4' energy: -66.373
flat angles P-C4'-P energy: -49.615
tors. eta vs tors. theta energy: -97.587
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: 2, replica: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1031.350957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.350957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.350957 (E_RNA)
where:
Base-Base interactions energy: -708.840
where: short stacking energy: -305.332
Base-Backbone interact. energy: -1.137
local terms energy: -321.373841
where:
bonds (distance) C4'-P energy: -50.068
bonds (distance) P-C4' energy: -58.768
flat angles C4'-P-C4' energy: -70.355
flat angles P-C4'-P energy: -49.003
tors. eta vs tors. theta energy: -93.180
Dist. restrs. and SS energy: 0.000 (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: 214
Temperature: 1.000000
Total energy: -1028.743468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.743468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.743468 (E_RNA)
where:
Base-Base interactions energy: -721.691
where: short stacking energy: -294.847
Base-Backbone interact. energy: -0.886
local terms energy: -306.166462
where:
bonds (distance) C4'-P energy: -64.696
bonds (distance) P-C4' energy: -49.794
flat angles C4'-P-C4' energy: -66.024
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -83.979
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: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -951.530764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.530764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.530764 (E_RNA)
where:
Base-Base interactions energy: -667.172
where: short stacking energy: -280.337
Base-Backbone interact. energy: 0.019
local terms energy: -284.378099
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -52.576
flat angles C4'-P-C4' energy: -62.857
flat angles P-C4'-P energy: -34.964
tors. eta vs tors. theta energy: -74.595
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: 214
Temperature: 1.100000
Total energy: -957.769831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.769831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.769831 (E_RNA)
where:
Base-Base interactions energy: -670.801
where: short stacking energy: -295.443
Base-Backbone interact. energy: -1.237
local terms energy: -285.731836
where:
bonds (distance) C4'-P energy: -56.906
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -31.315
tors. eta vs tors. theta energy: -83.623
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: 6, replica: 4
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -758.235988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.235988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.235988 (E_RNA)
where:
Base-Base interactions energy: -508.894
where: short stacking energy: -224.849
Base-Backbone interact. energy: 0.262
local terms energy: -249.604132
where:
bonds (distance) C4'-P energy: -49.733
bonds (distance) P-C4' energy: -50.216
flat angles C4'-P-C4' energy: -49.971
flat angles P-C4'-P energy: -39.041
tors. eta vs tors. theta energy: -60.644
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: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -717.492989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.492989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.492989 (E_RNA)
where:
Base-Base interactions energy: -471.588
where: short stacking energy: -189.239
Base-Backbone interact. energy: 1.263
local terms energy: -247.168787
where:
bonds (distance) C4'-P energy: -55.579
bonds (distance) P-C4' energy: -47.356
flat angles C4'-P-C4' energy: -62.420
flat angles P-C4'-P energy: -33.736
tors. eta vs tors. theta energy: -48.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -571.489452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.489452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.489452 (E_RNA)
where:
Base-Base interactions energy: -365.110
where: short stacking energy: -139.957
Base-Backbone interact. energy: 0.083
local terms energy: -206.462665
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -50.033
flat angles C4'-P-C4' energy: -53.014
flat angles P-C4'-P energy: -30.346
tors. eta vs tors. theta energy: -23.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -498.684108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.684108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.684108 (E_RNA)
where:
Base-Base interactions energy: -296.774
where: short stacking energy: -149.440
Base-Backbone interact. energy: -0.691
local terms energy: -201.219836
where:
bonds (distance) C4'-P energy: -47.968
bonds (distance) P-C4' energy: -52.321
flat angles C4'-P-C4' energy: -51.303
flat angles P-C4'-P energy: -36.719
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -466.246728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.246728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.246728 (E_RNA)
where:
Base-Base interactions energy: -255.179
where: short stacking energy: -129.066
Base-Backbone interact. energy: -1.311
local terms energy: -209.756455
where:
bonds (distance) C4'-P energy: -66.618
bonds (distance) P-C4' energy: -48.064
flat angles C4'-P-C4' energy: -50.780
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (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: 215
Temperature: 0.900000
Total energy: -1079.301520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.301520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.301520 (E_RNA)
where:
Base-Base interactions energy: -739.489
where: short stacking energy: -328.560
Base-Backbone interact. energy: -0.536
local terms energy: -339.276358
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -71.046
flat angles P-C4'-P energy: -44.241
tors. eta vs tors. theta energy: -95.564
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: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1035.183087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.183087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.183087 (E_RNA)
where:
Base-Base interactions energy: -726.703
where: short stacking energy: -317.948
Base-Backbone interact. energy: -0.365
local terms energy: -308.115709
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -64.614
flat angles P-C4'-P energy: -51.659
tors. eta vs tors. theta energy: -89.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1019.198136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.198136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.198136 (E_RNA)
where:
Base-Base interactions energy: -711.508
where: short stacking energy: -313.053
Base-Backbone interact. energy: -0.795
local terms energy: -306.894300
where:
bonds (distance) C4'-P energy: -52.697
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -58.722
flat angles P-C4'-P energy: -43.646
tors. eta vs tors. theta energy: -96.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -946.968027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.968027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.968027 (E_RNA)
where:
Base-Base interactions energy: -667.100
where: short stacking energy: -290.495
Base-Backbone interact. energy: -0.122
local terms energy: -279.745765
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -59.882
flat angles C4'-P-C4' energy: -60.729
flat angles P-C4'-P energy: -31.560
tors. eta vs tors. theta energy: -79.573
Dist. restrs. and SS energy: 0.000 (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: 215
Temperature: 1.100000
Total energy: -919.398554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.398554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.398554 (E_RNA)
where:
Base-Base interactions energy: -634.330
where: short stacking energy: -278.993
Base-Backbone interact. energy: 1.614
local terms energy: -286.682028
where:
bonds (distance) C4'-P energy: -57.116
bonds (distance) P-C4' energy: -48.792
flat angles C4'-P-C4' energy: -65.518
flat angles P-C4'-P energy: -39.163
tors. eta vs tors. theta energy: -76.094
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: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -728.691748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.691748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.691748 (E_RNA)
where:
Base-Base interactions energy: -476.036
where: short stacking energy: -210.130
Base-Backbone interact. energy: 0.743
local terms energy: -253.399075
where:
bonds (distance) C4'-P energy: -56.827
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -57.264
flat angles P-C4'-P energy: -32.715
tors. eta vs tors. theta energy: -48.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -748.819375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.819375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.819375 (E_RNA)
where:
Base-Base interactions energy: -511.296
where: short stacking energy: -236.421
Base-Backbone interact. energy: -0.976
local terms energy: -236.547062
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -47.732
flat angles C4'-P-C4' energy: -53.063
flat angles P-C4'-P energy: -34.610
tors. eta vs tors. theta energy: -55.025
Dist. restrs. and SS energy: 0.000 (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: 215
Temperature: 1.250000
Total energy: -607.201028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.201028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.201028 (E_RNA)
where:
Base-Base interactions energy: -376.647
where: short stacking energy: -165.024
Base-Backbone interact. energy: 0.059
local terms energy: -230.612867
where:
bonds (distance) C4'-P energy: -49.216
bonds (distance) P-C4' energy: -58.949
flat angles C4'-P-C4' energy: -50.358
flat angles P-C4'-P energy: -32.954
tors. eta vs tors. theta energy: -39.136
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: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -506.134503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.134503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.134503 (E_RNA)
where:
Base-Base interactions energy: -303.672
where: short stacking energy: -143.086
Base-Backbone interact. energy: -1.469
local terms energy: -200.993230
where:
bonds (distance) C4'-P energy: -46.880
bonds (distance) P-C4' energy: -47.885
flat angles C4'-P-C4' energy: -53.654
flat angles P-C4'-P energy: -29.874
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (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: 215
Temperature: 1.350000
Total energy: -473.161159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.161159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.161159 (E_RNA)
where:
Base-Base interactions energy: -296.005
where: short stacking energy: -148.046
Base-Backbone interact. energy: -0.505
local terms energy: -176.651486
where:
bonds (distance) C4'-P energy: -39.511
bonds (distance) P-C4' energy: -54.804
flat angles C4'-P-C4' energy: -42.419
flat angles P-C4'-P energy: -24.459
tors. eta vs tors. theta energy: -15.458
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: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1083.745509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.745509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.745509 (E_RNA)
where:
Base-Base interactions energy: -748.449
where: short stacking energy: -326.162
Base-Backbone interact. energy: -1.174
local terms energy: -334.122886
where:
bonds (distance) C4'-P energy: -59.607
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -68.973
flat angles P-C4'-P energy: -51.723
tors. eta vs tors. theta energy: -94.719
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: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1031.856950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.856950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.856950 (E_RNA)
where:
Base-Base interactions energy: -728.501
where: short stacking energy: -305.882
Base-Backbone interact. energy: -1.096
local terms energy: -302.259987
where:
bonds (distance) C4'-P energy: -48.628
bonds (distance) P-C4' energy: -58.815
flat angles C4'-P-C4' energy: -60.261
flat angles P-C4'-P energy: -46.440
tors. eta vs tors. theta energy: -88.115
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: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1017.479883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.479883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.479883 (E_RNA)
where:
Base-Base interactions energy: -711.538
where: short stacking energy: -304.632
Base-Backbone interact. energy: -2.770
local terms energy: -303.171829
where:
bonds (distance) C4'-P energy: -52.090
bonds (distance) P-C4' energy: -57.836
flat angles C4'-P-C4' energy: -56.963
flat angles P-C4'-P energy: -47.408
tors. eta vs tors. theta energy: -88.874
Dist. restrs. and SS energy: 0.000 (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: 216
Temperature: 1.050000
Total energy: -956.971356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.971356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.971356 (E_RNA)
where:
Base-Base interactions energy: -660.359
where: short stacking energy: -281.710
Base-Backbone interact. energy: -0.599
local terms energy: -296.014047
where:
bonds (distance) C4'-P energy: -62.433
bonds (distance) P-C4' energy: -51.905
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -46.881
tors. eta vs tors. theta energy: -77.003
Dist. restrs. and SS energy: 0.000 (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: 216
Temperature: 1.100000
Total energy: -906.441311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.441311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.441311 (E_RNA)
where:
Base-Base interactions energy: -616.093
where: short stacking energy: -264.006
Base-Backbone interact. energy: -2.818
local terms energy: -287.529408
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -58.347
flat angles C4'-P-C4' energy: -67.968
flat angles P-C4'-P energy: -41.064
tors. eta vs tors. theta energy: -75.573
Dist. restrs. and SS energy: 0.000 (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: 216
Temperature: 1.150000
Total energy: -733.495391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.495391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.495391 (E_RNA)
where:
Base-Base interactions energy: -495.064
where: short stacking energy: -233.419
Base-Backbone interact. energy: 1.678
local terms energy: -240.110129
where:
bonds (distance) C4'-P energy: -50.047
bonds (distance) P-C4' energy: -50.192
flat angles C4'-P-C4' energy: -49.300
flat angles P-C4'-P energy: -37.825
tors. eta vs tors. theta energy: -52.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -753.143050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.143050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.143050 (E_RNA)
where:
Base-Base interactions energy: -525.448
where: short stacking energy: -232.525
Base-Backbone interact. energy: -0.600
local terms energy: -227.095406
where:
bonds (distance) C4'-P energy: -45.873
bonds (distance) P-C4' energy: -48.487
flat angles C4'-P-C4' energy: -52.735
flat angles P-C4'-P energy: -28.226
tors. eta vs tors. theta energy: -51.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -588.331259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.331259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.331259 (E_RNA)
where:
Base-Base interactions energy: -385.029
where: short stacking energy: -173.933
Base-Backbone interact. energy: -0.494
local terms energy: -202.808503
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -43.973
flat angles P-C4'-P energy: -24.895
tors. eta vs tors. theta energy: -26.673
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: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -506.080264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.080264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.080264 (E_RNA)
where:
Base-Base interactions energy: -296.237
where: short stacking energy: -146.145
Base-Backbone interact. energy: 2.406
local terms energy: -212.249345
where:
bonds (distance) C4'-P energy: -48.498
bonds (distance) P-C4' energy: -59.179
flat angles C4'-P-C4' energy: -53.381
flat angles P-C4'-P energy: -32.388
tors. eta vs tors. theta energy: -18.803
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: 10, replica: 7
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -473.958521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.958521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.958521 (E_RNA)
where:
Base-Base interactions energy: -274.098
where: short stacking energy: -133.898
Base-Backbone interact. energy: 0.557
local terms energy: -200.418186
where:
bonds (distance) C4'-P energy: -56.869
bonds (distance) P-C4' energy: -52.851
flat angles C4'-P-C4' energy: -54.580
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -11.999
Dist. restrs. and SS energy: 0.000 (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: 217
Temperature: 0.900000
Total energy: -1062.076942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.076942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.076942 (E_RNA)
where:
Base-Base interactions energy: -740.474
where: short stacking energy: -337.901
Base-Backbone interact. energy: -1.019
local terms energy: -320.583256
where:
bonds (distance) C4'-P energy: -57.651
bonds (distance) P-C4' energy: -58.396
flat angles C4'-P-C4' energy: -68.766
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -95.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1034.037497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.037497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.037497 (E_RNA)
where:
Base-Base interactions energy: -722.535
where: short stacking energy: -311.194
Base-Backbone interact. energy: -0.692
local terms energy: -310.810402
where:
bonds (distance) C4'-P energy: -59.506
bonds (distance) P-C4' energy: -63.417
flat angles C4'-P-C4' energy: -62.824
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -88.949
Dist. restrs. and SS energy: 0.000 (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: 217
Temperature: 1.000000
Total energy: -1024.711552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.711552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.711552 (E_RNA)
where:
Base-Base interactions energy: -715.640
where: short stacking energy: -319.056
Base-Backbone interact. energy: 0.962
local terms energy: -310.033440
where:
bonds (distance) C4'-P energy: -50.811
bonds (distance) P-C4' energy: -56.983
flat angles C4'-P-C4' energy: -66.534
flat angles P-C4'-P energy: -39.726
tors. eta vs tors. theta energy: -95.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -956.259372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.259372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.259372 (E_RNA)
where:
Base-Base interactions energy: -658.036
where: short stacking energy: -291.745
Base-Backbone interact. energy: -2.386
local terms energy: -295.837139
where:
bonds (distance) C4'-P energy: -56.359
bonds (distance) P-C4' energy: -56.384
flat angles C4'-P-C4' energy: -60.453
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -81.477
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: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -918.370750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.370750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.370750 (E_RNA)
where:
Base-Base interactions energy: -634.569
where: short stacking energy: -256.037
Base-Backbone interact. energy: 0.362
local terms energy: -284.164556
where:
bonds (distance) C4'-P energy: -48.576
bonds (distance) P-C4' energy: -53.063
flat angles C4'-P-C4' energy: -66.296
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: -69.096
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: 6, replica: 4
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -799.449948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.449948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.449948 (E_RNA)
where:
Base-Base interactions energy: -532.001
where: short stacking energy: -244.498
Base-Backbone interact. energy: -1.202
local terms energy: -266.246320
where:
bonds (distance) C4'-P energy: -55.336
bonds (distance) P-C4' energy: -57.160
flat angles C4'-P-C4' energy: -57.288
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -58.185
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: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -673.864564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.864564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.864564 (E_RNA)
where:
Base-Base interactions energy: -434.988
where: short stacking energy: -187.575
Base-Backbone interact. energy: 3.993
local terms energy: -242.869716
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -60.153
flat angles C4'-P-C4' energy: -58.239
flat angles P-C4'-P energy: -33.338
tors. eta vs tors. theta energy: -41.264
Dist. restrs. and SS energy: 0.000 (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: 217
Temperature: 1.250000
Total energy: -642.335770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.335770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.335770 (E_RNA)
where:
Base-Base interactions energy: -413.814
where: short stacking energy: -206.520
Base-Backbone interact. energy: -0.876
local terms energy: -227.645674
where:
bonds (distance) C4'-P energy: -53.133
bonds (distance) P-C4' energy: -40.125
flat angles C4'-P-C4' energy: -57.042
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -52.294
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: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -511.798548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.798548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.798548 (E_RNA)
where:
Base-Base interactions energy: -307.732
where: short stacking energy: -142.076
Base-Backbone interact. energy: 0.765
local terms energy: -204.831183
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -49.333
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -491.243108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.243108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.243108 (E_RNA)
where:
Base-Base interactions energy: -290.856
where: short stacking energy: -147.452
Base-Backbone interact. energy: -0.087
local terms energy: -200.299550
where:
bonds (distance) C4'-P energy: -46.126
bonds (distance) P-C4' energy: -48.795
flat angles C4'-P-C4' energy: -51.075
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -28.058
Dist. restrs. and SS energy: 0.000 (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: 218
Temperature: 0.900000
Total energy: -1061.460769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.460769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.460769 (E_RNA)
where:
Base-Base interactions energy: -721.702
where: short stacking energy: -318.030
Base-Backbone interact. energy: -1.551
local terms energy: -338.207408
where:
bonds (distance) C4'-P energy: -57.583
bonds (distance) P-C4' energy: -66.782
flat angles C4'-P-C4' energy: -72.726
flat angles P-C4'-P energy: -49.928
tors. eta vs tors. theta energy: -91.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1045.958704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.958704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.958704 (E_RNA)
where:
Base-Base interactions energy: -717.078
where: short stacking energy: -325.096
Base-Backbone interact. energy: -1.227
local terms energy: -327.654165
where:
bonds (distance) C4'-P energy: -59.168
bonds (distance) P-C4' energy: -55.836
flat angles C4'-P-C4' energy: -65.927
flat angles P-C4'-P energy: -46.741
tors. eta vs tors. theta energy: -99.982
Dist. restrs. and SS energy: 0.000 (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: 218
Temperature: 1.000000
Total energy: -1020.514516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.514516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.514516 (E_RNA)
where:
Base-Base interactions energy: -706.646
where: short stacking energy: -309.715
Base-Backbone interact. energy: 0.493
local terms energy: -314.361354
where:
bonds (distance) C4'-P energy: -56.421
bonds (distance) P-C4' energy: -50.908
flat angles C4'-P-C4' energy: -70.480
flat angles P-C4'-P energy: -47.329
tors. eta vs tors. theta energy: -89.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -926.637570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.637570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.637570 (E_RNA)
where:
Base-Base interactions energy: -629.917
where: short stacking energy: -261.047
Base-Backbone interact. energy: 0.784
local terms energy: -297.503728
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -65.695
flat angles C4'-P-C4' energy: -65.213
flat angles P-C4'-P energy: -49.487
tors. eta vs tors. theta energy: -66.036
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: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -915.629814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.629814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.629814 (E_RNA)
where:
Base-Base interactions energy: -628.436
where: short stacking energy: -255.561
Base-Backbone interact. energy: -1.297
local terms energy: -285.896482
where:
bonds (distance) C4'-P energy: -58.653
bonds (distance) P-C4' energy: -59.656
flat angles C4'-P-C4' energy: -63.626
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: -66.672
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: 6, replica: 4
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -794.713184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.713184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.713184 (E_RNA)
where:
Base-Base interactions energy: -536.726
where: short stacking energy: -239.826
Base-Backbone interact. energy: -1.110
local terms energy: -256.876817
where:
bonds (distance) C4'-P energy: -58.722
bonds (distance) P-C4' energy: -44.480
flat angles C4'-P-C4' energy: -56.268
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -62.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -646.789003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.789003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.789003 (E_RNA)
where:
Base-Base interactions energy: -427.507
where: short stacking energy: -184.765
Base-Backbone interact. energy: -0.477
local terms energy: -218.804937
where:
bonds (distance) C4'-P energy: -43.206
bonds (distance) P-C4' energy: -56.136
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -27.357
Dist. restrs. and SS energy: 0.000 (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: 218
Temperature: 1.250000
Total energy: -617.279069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.279069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.279069 (E_RNA)
where:
Base-Base interactions energy: -412.483
where: short stacking energy: -181.942
Base-Backbone interact. energy: -0.933
local terms energy: -203.863135
where:
bonds (distance) C4'-P energy: -53.539
bonds (distance) P-C4' energy: -48.840
flat angles C4'-P-C4' energy: -48.703
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -30.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -516.811337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.811337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.811337 (E_RNA)
where:
Base-Base interactions energy: -313.832
where: short stacking energy: -154.489
Base-Backbone interact. energy: -1.495
local terms energy: -201.484144
where:
bonds (distance) C4'-P energy: -55.341
bonds (distance) P-C4' energy: -50.476
flat angles C4'-P-C4' energy: -45.907
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -460.537426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.537426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.537426 (E_RNA)
where:
Base-Base interactions energy: -288.769
where: short stacking energy: -148.571
Base-Backbone interact. energy: 1.602
local terms energy: -173.370798
where:
bonds (distance) C4'-P energy: -57.563
bonds (distance) P-C4' energy: -37.184
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (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: 219
Temperature: 0.900000
Total energy: -1051.450171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.450171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.450171 (E_RNA)
where:
Base-Base interactions energy: -720.124
where: short stacking energy: -322.015
Base-Backbone interact. energy: -0.501
local terms energy: -330.824759
where:
bonds (distance) C4'-P energy: -59.202
bonds (distance) P-C4' energy: -66.350
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -44.198
tors. eta vs tors. theta energy: -94.462
Dist. restrs. and SS energy: 0.000 (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: 219
Temperature: 0.950000
Total energy: -1041.531835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.531835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.531835 (E_RNA)
where:
Base-Base interactions energy: -711.794
where: short stacking energy: -323.642
Base-Backbone interact. energy: 1.130
local terms energy: -330.867938
where:
bonds (distance) C4'-P energy: -67.693
bonds (distance) P-C4' energy: -49.398
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -47.090
tors. eta vs tors. theta energy: -101.656
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: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1004.566387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.566387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.566387 (E_RNA)
where:
Base-Base interactions energy: -692.349
where: short stacking energy: -297.532
Base-Backbone interact. energy: -1.012
local terms energy: -311.205648
where:
bonds (distance) C4'-P energy: -58.625
bonds (distance) P-C4' energy: -65.895
flat angles C4'-P-C4' energy: -60.500
flat angles P-C4'-P energy: -35.424
tors. eta vs tors. theta energy: -90.761
Dist. restrs. and SS energy: 0.000 (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: 219
Temperature: 1.050000
Total energy: -957.864847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.864847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.864847 (E_RNA)
where:
Base-Base interactions energy: -686.879
where: short stacking energy: -294.661
Base-Backbone interact. energy: 1.395
local terms energy: -272.381386
where:
bonds (distance) C4'-P energy: -36.328
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -57.051
flat angles P-C4'-P energy: -49.737
tors. eta vs tors. theta energy: -76.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -939.284845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.284845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.284845 (E_RNA)
where:
Base-Base interactions energy: -659.088
where: short stacking energy: -276.619
Base-Backbone interact. energy: -0.012
local terms energy: -280.184774
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -60.031
flat angles P-C4'-P energy: -43.397
tors. eta vs tors. theta energy: -76.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -809.929792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.929792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.929792 (E_RNA)
where:
Base-Base interactions energy: -528.652
where: short stacking energy: -244.805
Base-Backbone interact. energy: -0.765
local terms energy: -280.513391
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -62.885
flat angles P-C4'-P energy: -34.494
tors. eta vs tors. theta energy: -67.982
Dist. restrs. and SS energy: 0.000 (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: 219
Temperature: 1.200000
Total energy: -677.845154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.845154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.845154 (E_RNA)
where:
Base-Base interactions energy: -430.471
where: short stacking energy: -198.025
Base-Backbone interact. energy: -2.787
local terms energy: -244.587832
where:
bonds (distance) C4'-P energy: -58.734
bonds (distance) P-C4' energy: -50.830
flat angles C4'-P-C4' energy: -58.693
flat angles P-C4'-P energy: -40.234
tors. eta vs tors. theta energy: -36.096
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: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -606.016086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.016086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.016086 (E_RNA)
where:
Base-Base interactions energy: -398.969
where: short stacking energy: -165.968
Base-Backbone interact. energy: -0.779
local terms energy: -206.267812
where:
bonds (distance) C4'-P energy: -49.850
bonds (distance) P-C4' energy: -46.617
flat angles C4'-P-C4' energy: -51.141
flat angles P-C4'-P energy: -24.622
tors. eta vs tors. theta energy: -34.038
Dist. restrs. and SS energy: 0.000 (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: 219
Temperature: 1.300000
Total energy: -517.451581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.451581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.451581 (E_RNA)
where:
Base-Base interactions energy: -318.524
where: short stacking energy: -173.823
Base-Backbone interact. energy: 2.636
local terms energy: -201.563421
where:
bonds (distance) C4'-P energy: -50.526
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -52.958
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (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: 219
Temperature: 1.350000
Total energy: -464.765927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.765927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.765927 (E_RNA)
where:
Base-Base interactions energy: -294.852
where: short stacking energy: -146.468
Base-Backbone interact. energy: -0.442
local terms energy: -169.472657
where:
bonds (distance) C4'-P energy: -48.447
bonds (distance) P-C4' energy: -44.554
flat angles C4'-P-C4' energy: -38.991
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1058.224937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.224937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.224937 (E_RNA)
where:
Base-Base interactions energy: -728.424
where: short stacking energy: -329.021
Base-Backbone interact. energy: -1.214
local terms energy: -328.587361
where:
bonds (distance) C4'-P energy: -52.361
bonds (distance) P-C4' energy: -65.107
flat angles C4'-P-C4' energy: -63.517
flat angles P-C4'-P energy: -47.922
tors. eta vs tors. theta energy: -99.681
Dist. restrs. and SS energy: 0.000 (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: 220
Temperature: 0.950000
Total energy: -1048.650920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.650920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.650920 (E_RNA)
where:
Base-Base interactions energy: -728.273
where: short stacking energy: -325.272
Base-Backbone interact. energy: -1.356
local terms energy: -319.021866
where:
bonds (distance) C4'-P energy: -62.659
bonds (distance) P-C4' energy: -53.806
flat angles C4'-P-C4' energy: -64.019
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: -91.723
Dist. restrs. and SS energy: 0.000 (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: 220
Temperature: 1.000000
Total energy: -993.796315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.796315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.796315 (E_RNA)
where:
Base-Base interactions energy: -683.563
where: short stacking energy: -300.127
Base-Backbone interact. energy: -0.278
local terms energy: -309.954882
where:
bonds (distance) C4'-P energy: -59.880
bonds (distance) P-C4' energy: -58.732
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -38.467
tors. eta vs tors. theta energy: -91.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -967.488053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.488053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.488053 (E_RNA)
where:
Base-Base interactions energy: -682.568
where: short stacking energy: -300.058
Base-Backbone interact. energy: -1.884
local terms energy: -283.036221
where:
bonds (distance) C4'-P energy: -47.841
bonds (distance) P-C4' energy: -48.615
flat angles C4'-P-C4' energy: -69.391
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -80.391
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -921.461780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.461780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.461780 (E_RNA)
where:
Base-Base interactions energy: -662.256
where: short stacking energy: -280.544
Base-Backbone interact. energy: -0.980
local terms energy: -258.226007
where:
bonds (distance) C4'-P energy: -47.186
bonds (distance) P-C4' energy: -43.961
flat angles C4'-P-C4' energy: -53.969
flat angles P-C4'-P energy: -40.539
tors. eta vs tors. theta energy: -72.571
Dist. restrs. and SS energy: 0.000 (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: 220
Temperature: 1.150000
Total energy: -783.470556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.470556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.470556 (E_RNA)
where:
Base-Base interactions energy: -514.717
where: short stacking energy: -235.453
Base-Backbone interact. energy: -0.357
local terms energy: -268.397403
where:
bonds (distance) C4'-P energy: -55.807
bonds (distance) P-C4' energy: -48.822
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -36.080
tors. eta vs tors. theta energy: -66.362
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: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -739.524539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.524539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.524539 (E_RNA)
where:
Base-Base interactions energy: -496.015
where: short stacking energy: -230.497
Base-Backbone interact. energy: -0.109
local terms energy: -243.400708
where:
bonds (distance) C4'-P energy: -36.956
bonds (distance) P-C4' energy: -54.516
flat angles C4'-P-C4' energy: -60.543
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -58.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -587.592745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.592745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.592745 (E_RNA)
where:
Base-Base interactions energy: -345.649
where: short stacking energy: -145.808
Base-Backbone interact. energy: -2.168
local terms energy: -239.775872
where:
bonds (distance) C4'-P energy: -55.991
bonds (distance) P-C4' energy: -59.500
flat angles C4'-P-C4' energy: -58.497
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -21.515
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: 9, replica: 7
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -504.261630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.261630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.261630 (E_RNA)
where:
Base-Base interactions energy: -306.918
where: short stacking energy: -156.383
Base-Backbone interact. energy: -0.314
local terms energy: -197.029630
where:
bonds (distance) C4'-P energy: -50.103
bonds (distance) P-C4' energy: -54.014
flat angles C4'-P-C4' energy: -41.170
flat angles P-C4'-P energy: -30.096
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -459.260155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.260155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.260155 (E_RNA)
where:
Base-Base interactions energy: -251.338
where: short stacking energy: -129.839
Base-Backbone interact. energy: 0.482
local terms energy: -208.404039
where:
bonds (distance) C4'-P energy: -47.776
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -47.861
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1053.609185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.609185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.609185 (E_RNA)
where:
Base-Base interactions energy: -728.053
where: short stacking energy: -332.500
Base-Backbone interact. energy: -1.333
local terms energy: -324.222630
where:
bonds (distance) C4'-P energy: -56.377
bonds (distance) P-C4' energy: -62.463
flat angles C4'-P-C4' energy: -68.271
flat angles P-C4'-P energy: -43.184
tors. eta vs tors. theta energy: -93.927
Dist. restrs. and SS energy: 0.000 (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: 221
Temperature: 0.950000
Total energy: -1028.470651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.470651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.470651 (E_RNA)
where:
Base-Base interactions energy: -721.676
where: short stacking energy: -302.169
Base-Backbone interact. energy: -0.241
local terms energy: -306.553680
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -59.820
flat angles C4'-P-C4' energy: -65.532
flat angles P-C4'-P energy: -35.620
tors. eta vs tors. theta energy: -86.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1010.445051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.445051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.445051 (E_RNA)
where:
Base-Base interactions energy: -703.313
where: short stacking energy: -303.393
Base-Backbone interact. energy: -1.069
local terms energy: -306.062774
where:
bonds (distance) C4'-P energy: -58.523
bonds (distance) P-C4' energy: -59.800
flat angles C4'-P-C4' energy: -60.196
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: -84.447
Dist. restrs. and SS energy: 0.000 (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: 221
Temperature: 1.050000
Total energy: -974.902274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.902274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.902274 (E_RNA)
where:
Base-Base interactions energy: -662.668
where: short stacking energy: -281.911
Base-Backbone interact. energy: -0.774
local terms energy: -311.460226
where:
bonds (distance) C4'-P energy: -57.619
bonds (distance) P-C4' energy: -55.767
flat angles C4'-P-C4' energy: -67.091
flat angles P-C4'-P energy: -48.484
tors. eta vs tors. theta energy: -82.499
Dist. restrs. and SS energy: 0.000 (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: 221
Temperature: 1.100000
Total energy: -916.951201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.951201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.951201 (E_RNA)
where:
Base-Base interactions energy: -627.923
where: short stacking energy: -274.765
Base-Backbone interact. energy: -0.711
local terms energy: -288.317752
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -61.267
flat angles C4'-P-C4' energy: -66.663
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: -70.699
Dist. restrs. and SS energy: 0.000 (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: 221
Temperature: 1.150000
Total energy: -805.684451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.684451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.684451 (E_RNA)
where:
Base-Base interactions energy: -541.547
where: short stacking energy: -242.581
Base-Backbone interact. energy: -2.149
local terms energy: -261.988685
where:
bonds (distance) C4'-P energy: -56.805
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -52.240
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -62.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -739.944785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.944785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.944785 (E_RNA)
where:
Base-Base interactions energy: -492.768
where: short stacking energy: -213.206
Base-Backbone interact. energy: -1.250
local terms energy: -245.927083
where:
bonds (distance) C4'-P energy: -57.950
bonds (distance) P-C4' energy: -59.441
flat angles C4'-P-C4' energy: -48.896
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -48.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -612.750470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.750470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.750470 (E_RNA)
where:
Base-Base interactions energy: -392.155
where: short stacking energy: -198.327
Base-Backbone interact. energy: -0.734
local terms energy: -219.860803
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -62.027
flat angles P-C4'-P energy: -28.376
tors. eta vs tors. theta energy: -30.096
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: 7
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -471.528823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.528823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.528823 (E_RNA)
where:
Base-Base interactions energy: -268.029
where: short stacking energy: -131.662
Base-Backbone interact. energy: 1.587
local terms energy: -205.086388
where:
bonds (distance) C4'-P energy: -45.275
bonds (distance) P-C4' energy: -62.080
flat angles C4'-P-C4' energy: -48.940
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -12.866
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -468.695712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.695712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.695712 (E_RNA)
where:
Base-Base interactions energy: -284.998
where: short stacking energy: -146.975
Base-Backbone interact. energy: 0.815
local terms energy: -184.512599
where:
bonds (distance) C4'-P energy: -50.773
bonds (distance) P-C4' energy: -59.960
flat angles C4'-P-C4' energy: -34.177
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1061.340386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.340386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.340386 (E_RNA)
where:
Base-Base interactions energy: -719.922
where: short stacking energy: -324.215
Base-Backbone interact. energy: -1.840
local terms energy: -339.578576
where:
bonds (distance) C4'-P energy: -58.525
bonds (distance) P-C4' energy: -63.065
flat angles C4'-P-C4' energy: -69.467
flat angles P-C4'-P energy: -55.857
tors. eta vs tors. theta energy: -92.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1043.088256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.088256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.088256 (E_RNA)
where:
Base-Base interactions energy: -705.064
where: short stacking energy: -316.717
Base-Backbone interact. energy: -0.370
local terms energy: -337.653697
where:
bonds (distance) C4'-P energy: -49.856
bonds (distance) P-C4' energy: -70.226
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -56.383
tors. eta vs tors. theta energy: -97.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1007.414166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.414166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.414166 (E_RNA)
where:
Base-Base interactions energy: -698.295
where: short stacking energy: -284.861
Base-Backbone interact. energy: -2.204
local terms energy: -306.915280
where:
bonds (distance) C4'-P energy: -54.795
bonds (distance) P-C4' energy: -62.243
flat angles C4'-P-C4' energy: -68.908
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: -75.971
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: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -965.612624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.612624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.612624 (E_RNA)
where:
Base-Base interactions energy: -657.642
where: short stacking energy: -289.227
Base-Backbone interact. energy: 0.428
local terms energy: -308.398228
where:
bonds (distance) C4'-P energy: -62.501
bonds (distance) P-C4' energy: -56.576
flat angles C4'-P-C4' energy: -64.264
flat angles P-C4'-P energy: -47.369
tors. eta vs tors. theta energy: -77.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -867.769204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.769204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.769204 (E_RNA)
where:
Base-Base interactions energy: -586.847
where: short stacking energy: -246.395
Base-Backbone interact. energy: -0.701
local terms energy: -280.221453
where:
bonds (distance) C4'-P energy: -57.075
bonds (distance) P-C4' energy: -57.000
flat angles C4'-P-C4' energy: -57.944
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -67.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -815.654958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.654958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.654958 (E_RNA)
where:
Base-Base interactions energy: -575.650
where: short stacking energy: -241.204
Base-Backbone interact. energy: -0.788
local terms energy: -239.216776
where:
bonds (distance) C4'-P energy: -31.831
bonds (distance) P-C4' energy: -47.064
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -38.541
tors. eta vs tors. theta energy: -60.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -750.849310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.849310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.849310 (E_RNA)
where:
Base-Base interactions energy: -488.519
where: short stacking energy: -206.974
Base-Backbone interact. energy: 1.974
local terms energy: -264.303684
where:
bonds (distance) C4'-P energy: -53.221
bonds (distance) P-C4' energy: -57.924
flat angles C4'-P-C4' energy: -54.333
flat angles P-C4'-P energy: -42.318
tors. eta vs tors. theta energy: -56.508
Dist. restrs. and SS energy: 0.000 (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: 222
Temperature: 1.250000
Total energy: -581.695659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.695659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.695659 (E_RNA)
where:
Base-Base interactions energy: -370.593
where: short stacking energy: -166.354
Base-Backbone interact. energy: 2.862
local terms energy: -213.964405
where:
bonds (distance) C4'-P energy: -46.919
bonds (distance) P-C4' energy: -51.906
flat angles C4'-P-C4' energy: -44.648
flat angles P-C4'-P energy: -35.294
tors. eta vs tors. theta energy: -35.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -499.931008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.931008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.931008 (E_RNA)
where:
Base-Base interactions energy: -288.372
where: short stacking energy: -156.892
Base-Backbone interact. energy: 1.948
local terms energy: -213.507669
where:
bonds (distance) C4'-P energy: -51.979
bonds (distance) P-C4' energy: -46.957
flat angles C4'-P-C4' energy: -55.814
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -26.728
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: 10, replica: 7
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -467.906940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.906940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.906940 (E_RNA)
where:
Base-Base interactions energy: -279.733
where: short stacking energy: -138.647
Base-Backbone interact. energy: 0.225
local terms energy: -188.398780
where:
bonds (distance) C4'-P energy: -49.631
bonds (distance) P-C4' energy: -43.114
flat angles C4'-P-C4' energy: -55.773
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (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: 223
Temperature: 0.900000
Total energy: -1061.280914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.280914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.280914 (E_RNA)
where:
Base-Base interactions energy: -728.085
where: short stacking energy: -329.348
Base-Backbone interact. energy: -0.752
local terms energy: -332.444432
where:
bonds (distance) C4'-P energy: -59.243
bonds (distance) P-C4' energy: -66.337
flat angles C4'-P-C4' energy: -71.656
flat angles P-C4'-P energy: -32.923
tors. eta vs tors. theta energy: -102.285
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: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1014.742336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.742336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.742336 (E_RNA)
where:
Base-Base interactions energy: -707.502
where: short stacking energy: -313.936
Base-Backbone interact. energy: -0.581
local terms energy: -306.660120
where:
bonds (distance) C4'-P energy: -55.089
bonds (distance) P-C4' energy: -56.921
flat angles C4'-P-C4' energy: -66.104
flat angles P-C4'-P energy: -44.600
tors. eta vs tors. theta energy: -83.946
Dist. restrs. and SS energy: 0.000 (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: 223
Temperature: 1.000000
Total energy: -984.342709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.342709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.342709 (E_RNA)
where:
Base-Base interactions energy: -688.733
where: short stacking energy: -295.309
Base-Backbone interact. energy: -0.277
local terms energy: -295.332974
where:
bonds (distance) C4'-P energy: -53.651
bonds (distance) P-C4' energy: -58.091
flat angles C4'-P-C4' energy: -66.876
flat angles P-C4'-P energy: -43.954
tors. eta vs tors. theta energy: -72.760
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: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -942.091525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.091525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.091525 (E_RNA)
where:
Base-Base interactions energy: -637.123
where: short stacking energy: -254.435
Base-Backbone interact. energy: -2.215
local terms energy: -302.753195
where:
bonds (distance) C4'-P energy: -56.993
bonds (distance) P-C4' energy: -59.620
flat angles C4'-P-C4' energy: -68.928
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -74.232
Dist. restrs. and SS energy: 0.000 (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: 223
Temperature: 1.100000
Total energy: -866.950219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.950219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.950219 (E_RNA)
where:
Base-Base interactions energy: -584.063
where: short stacking energy: -265.302
Base-Backbone interact. energy: -0.987
local terms energy: -281.900239
where:
bonds (distance) C4'-P energy: -48.544
bonds (distance) P-C4' energy: -62.000
flat angles C4'-P-C4' energy: -60.523
flat angles P-C4'-P energy: -43.609
tors. eta vs tors. theta energy: -67.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -814.575645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.575645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.575645 (E_RNA)
where:
Base-Base interactions energy: -552.669
where: short stacking energy: -243.182
Base-Backbone interact. energy: -1.130
local terms energy: -260.776913
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -60.363
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -57.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -735.576246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.576246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.576246 (E_RNA)
where:
Base-Base interactions energy: -484.702
where: short stacking energy: -228.331
Base-Backbone interact. energy: -0.258
local terms energy: -250.617166
where:
bonds (distance) C4'-P energy: -57.938
bonds (distance) P-C4' energy: -53.368
flat angles C4'-P-C4' energy: -60.289
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -54.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -629.829096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.829096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.829096 (E_RNA)
where:
Base-Base interactions energy: -413.854
where: short stacking energy: -180.841
Base-Backbone interact. energy: 1.010
local terms energy: -216.985505
where:
bonds (distance) C4'-P energy: -42.798
bonds (distance) P-C4' energy: -55.847
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -33.800
tors. eta vs tors. theta energy: -35.527
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: 223
Temperature: 1.300000
Total energy: -501.039503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.039503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.039503 (E_RNA)
where:
Base-Base interactions energy: -291.535
where: short stacking energy: -143.998
Base-Backbone interact. energy: 0.712
local terms energy: -210.216603
where:
bonds (distance) C4'-P energy: -56.563
bonds (distance) P-C4' energy: -50.035
flat angles C4'-P-C4' energy: -40.614
flat angles P-C4'-P energy: -42.245
tors. eta vs tors. theta energy: -20.759
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: 10, replica: 7
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -487.419574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.419574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.419574 (E_RNA)
where:
Base-Base interactions energy: -296.721
where: short stacking energy: -143.010
Base-Backbone interact. energy: -1.934
local terms energy: -188.764605
where:
bonds (distance) C4'-P energy: -43.276
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -46.283
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1089.754392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.754392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.754392 (E_RNA)
where:
Base-Base interactions energy: -752.678
where: short stacking energy: -325.030
Base-Backbone interact. energy: -0.474
local terms energy: -336.602202
where:
bonds (distance) C4'-P energy: -66.610
bonds (distance) P-C4' energy: -58.472
flat angles C4'-P-C4' energy: -72.837
flat angles P-C4'-P energy: -43.506
tors. eta vs tors. theta energy: -95.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1043.372819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.372819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.372819 (E_RNA)
where:
Base-Base interactions energy: -718.247
where: short stacking energy: -301.630
Base-Backbone interact. energy: -1.783
local terms energy: -323.342988
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -63.980
flat angles C4'-P-C4' energy: -66.901
flat angles P-C4'-P energy: -44.545
tors. eta vs tors. theta energy: -89.180
Dist. restrs. and SS energy: 0.000 (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: 224
Temperature: 1.000000
Total energy: -1014.030591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.030591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.030591 (E_RNA)
where:
Base-Base interactions energy: -693.083
where: short stacking energy: -312.747
Base-Backbone interact. energy: -1.023
local terms energy: -319.924756
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -67.738
flat angles C4'-P-C4' energy: -65.214
flat angles P-C4'-P energy: -37.134
tors. eta vs tors. theta energy: -93.497
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: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -937.883733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.883733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.883733 (E_RNA)
where:
Base-Base interactions energy: -656.877
where: short stacking energy: -271.049
Base-Backbone interact. energy: -1.319
local terms energy: -279.687357
where:
bonds (distance) C4'-P energy: -49.658
bonds (distance) P-C4' energy: -53.223
flat angles C4'-P-C4' energy: -61.330
flat angles P-C4'-P energy: -38.301
tors. eta vs tors. theta energy: -77.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -870.908277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.908277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.908277 (E_RNA)
where:
Base-Base interactions energy: -587.105
where: short stacking energy: -268.174
Base-Backbone interact. energy: -1.002
local terms energy: -282.801946
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -62.389
flat angles C4'-P-C4' energy: -59.484
flat angles P-C4'-P energy: -39.501
tors. eta vs tors. theta energy: -72.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -799.254867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.254867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.254867 (E_RNA)
where:
Base-Base interactions energy: -556.822
where: short stacking energy: -238.211
Base-Backbone interact. energy: -0.521
local terms energy: -241.911446
where:
bonds (distance) C4'-P energy: -43.980
bonds (distance) P-C4' energy: -51.926
flat angles C4'-P-C4' energy: -63.957
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -58.504
Dist. restrs. and SS energy: 0.000 (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: 224
Temperature: 1.200000
Total energy: -697.036879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.036879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.036879 (E_RNA)
where:
Base-Base interactions energy: -457.589
where: short stacking energy: -191.523
Base-Backbone interact. energy: -0.715
local terms energy: -238.733259
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -62.620
flat angles C4'-P-C4' energy: -58.765
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -43.294
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: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -615.402778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.402778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.402778 (E_RNA)
where:
Base-Base interactions energy: -380.987
where: short stacking energy: -175.666
Base-Backbone interact. energy: -0.277
local terms energy: -234.138377
where:
bonds (distance) C4'-P energy: -49.975
bonds (distance) P-C4' energy: -50.540
flat angles C4'-P-C4' energy: -58.849
flat angles P-C4'-P energy: -38.132
tors. eta vs tors. theta energy: -36.643
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: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -515.774564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.774564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.774564 (E_RNA)
where:
Base-Base interactions energy: -314.602
where: short stacking energy: -167.605
Base-Backbone interact. energy: 3.920
local terms energy: -205.092715
where:
bonds (distance) C4'-P energy: -46.410
bonds (distance) P-C4' energy: -42.288
flat angles C4'-P-C4' energy: -53.029
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -31.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -480.196648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.196648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.196648 (E_RNA)
where:
Base-Base interactions energy: -282.781
where: short stacking energy: -147.384
Base-Backbone interact. energy: -0.433
local terms energy: -196.982025
where:
bonds (distance) C4'-P energy: -52.292
bonds (distance) P-C4' energy: -45.601
flat angles C4'-P-C4' energy: -44.419
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -18.668
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: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1080.485977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.485977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.485977 (E_RNA)
where:
Base-Base interactions energy: -741.527
where: short stacking energy: -333.243
Base-Backbone interact. energy: -0.195
local terms energy: -338.764237
where:
bonds (distance) C4'-P energy: -61.027
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -68.530
flat angles P-C4'-P energy: -44.758
tors. eta vs tors. theta energy: -96.694
Dist. restrs. and SS energy: 0.000 (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: 225
Temperature: 0.950000
Total energy: -1043.356468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.356468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.356468 (E_RNA)
where:
Base-Base interactions energy: -730.365
where: short stacking energy: -328.974
Base-Backbone interact. energy: 0.694
local terms energy: -313.685345
where:
bonds (distance) C4'-P energy: -54.448
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -65.325
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -97.693
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: 225
Temperature: 1.000000
Total energy: -1019.390182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.390182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.390182 (E_RNA)
where:
Base-Base interactions energy: -720.751
where: short stacking energy: -307.314
Base-Backbone interact. energy: 6.599
local terms energy: -305.238488
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -62.674
flat angles P-C4'-P energy: -48.543
tors. eta vs tors. theta energy: -81.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -924.500273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.500273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.500273 (E_RNA)
where:
Base-Base interactions energy: -625.428
where: short stacking energy: -272.781
Base-Backbone interact. energy: 0.626
local terms energy: -299.698940
where:
bonds (distance) C4'-P energy: -58.876
bonds (distance) P-C4' energy: -66.386
flat angles C4'-P-C4' energy: -56.174
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -80.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -892.691092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.691092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.691092 (E_RNA)
where:
Base-Base interactions energy: -603.100
where: short stacking energy: -256.976
Base-Backbone interact. energy: -2.198
local terms energy: -287.393350
where:
bonds (distance) C4'-P energy: -51.806
bonds (distance) P-C4' energy: -58.788
flat angles C4'-P-C4' energy: -63.103
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -72.990
Dist. restrs. and SS energy: 0.000 (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: 225
Temperature: 1.150000
Total energy: -794.354385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.354385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.354385 (E_RNA)
where:
Base-Base interactions energy: -506.890
where: short stacking energy: -226.217
Base-Backbone interact. energy: -1.659
local terms energy: -285.805818
where:
bonds (distance) C4'-P energy: -64.180
bonds (distance) P-C4' energy: -63.711
flat angles C4'-P-C4' energy: -63.876
flat angles P-C4'-P energy: -40.786
tors. eta vs tors. theta energy: -53.253
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: 7, replica: 4
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -711.348433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.348433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.348433 (E_RNA)
where:
Base-Base interactions energy: -463.228
where: short stacking energy: -191.181
Base-Backbone interact. energy: 0.221
local terms energy: -248.341329
where:
bonds (distance) C4'-P energy: -50.567
bonds (distance) P-C4' energy: -61.843
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -40.750
tors. eta vs tors. theta energy: -37.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -599.835240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.835240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.835240 (E_RNA)
where:
Base-Base interactions energy: -384.927
where: short stacking energy: -169.608
Base-Backbone interact. energy: -0.885
local terms energy: -214.022484
where:
bonds (distance) C4'-P energy: -46.284
bonds (distance) P-C4' energy: -55.660
flat angles C4'-P-C4' energy: -49.294
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -28.214
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: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -509.181273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.181273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.181273 (E_RNA)
where:
Base-Base interactions energy: -291.143
where: short stacking energy: -150.568
Base-Backbone interact. energy: 1.995
local terms energy: -220.032948
where:
bonds (distance) C4'-P energy: -52.515
bonds (distance) P-C4' energy: -52.417
flat angles C4'-P-C4' energy: -59.737
flat angles P-C4'-P energy: -29.851
tors. eta vs tors. theta energy: -25.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -466.498989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.498989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.498989 (E_RNA)
where:
Base-Base interactions energy: -262.532
where: short stacking energy: -136.490
Base-Backbone interact. energy: 1.052
local terms energy: -205.019196
where:
bonds (distance) C4'-P energy: -57.959
bonds (distance) P-C4' energy: -39.227
flat angles C4'-P-C4' energy: -48.784
flat angles P-C4'-P energy: -34.278
tors. eta vs tors. theta energy: -24.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1070.892527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.892527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.892527 (E_RNA)
where:
Base-Base interactions energy: -746.105
where: short stacking energy: -330.562
Base-Backbone interact. energy: -0.126
local terms energy: -324.661934
where:
bonds (distance) C4'-P energy: -65.083
bonds (distance) P-C4' energy: -54.205
flat angles C4'-P-C4' energy: -70.247
flat angles P-C4'-P energy: -41.300
tors. eta vs tors. theta energy: -93.828
Dist. restrs. and SS energy: 0.000 (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: 226
Temperature: 0.950000
Total energy: -1073.865167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.865167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.865167 (E_RNA)
where:
Base-Base interactions energy: -745.674
where: short stacking energy: -317.959
Base-Backbone interact. energy: -1.453
local terms energy: -326.737957
where:
bonds (distance) C4'-P energy: -60.830
bonds (distance) P-C4' energy: -55.253
flat angles C4'-P-C4' energy: -67.138
flat angles P-C4'-P energy: -46.521
tors. eta vs tors. theta energy: -96.996
Dist. restrs. and SS energy: 0.000 (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: 226
Temperature: 1.000000
Total energy: -979.299197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.299197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.299197 (E_RNA)
where:
Base-Base interactions energy: -656.939
where: short stacking energy: -282.527
Base-Backbone interact. energy: -1.664
local terms energy: -320.696048
where:
bonds (distance) C4'-P energy: -64.189
bonds (distance) P-C4' energy: -58.306
flat angles C4'-P-C4' energy: -72.597
flat angles P-C4'-P energy: -46.880
tors. eta vs tors. theta energy: -78.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -997.252850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.252850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.252850 (E_RNA)
where:
Base-Base interactions energy: -697.417
where: short stacking energy: -285.730
Base-Backbone interact. energy: -1.759
local terms energy: -298.077224
where:
bonds (distance) C4'-P energy: -58.982
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -65.075
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -84.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -891.944074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.944074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.944074 (E_RNA)
where:
Base-Base interactions energy: -616.314
where: short stacking energy: -266.237
Base-Backbone interact. energy: -0.204
local terms energy: -275.426167
where:
bonds (distance) C4'-P energy: -46.791
bonds (distance) P-C4' energy: -47.253
flat angles C4'-P-C4' energy: -60.103
flat angles P-C4'-P energy: -51.281
tors. eta vs tors. theta energy: -69.999
Dist. restrs. and SS energy: 0.000 (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: 226
Temperature: 1.150000
Total energy: -807.245834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.245834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.245834 (E_RNA)
where:
Base-Base interactions energy: -551.135
where: short stacking energy: -235.233
Base-Backbone interact. energy: -1.540
local terms energy: -254.570806
where:
bonds (distance) C4'-P energy: -38.249
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: -66.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -746.524168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.524168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.524168 (E_RNA)
where:
Base-Base interactions energy: -483.138
where: short stacking energy: -223.107
Base-Backbone interact. energy: -1.153
local terms energy: -262.233150
where:
bonds (distance) C4'-P energy: -50.003
bonds (distance) P-C4' energy: -54.809
flat angles C4'-P-C4' energy: -58.414
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -60.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -594.480286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.480286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.480286 (E_RNA)
where:
Base-Base interactions energy: -382.164
where: short stacking energy: -158.493
Base-Backbone interact. energy: 4.700
local terms energy: -217.016249
where:
bonds (distance) C4'-P energy: -59.946
bonds (distance) P-C4' energy: -56.082
flat angles C4'-P-C4' energy: -50.249
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -21.689
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: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -489.498039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.498039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.498039 (E_RNA)
where:
Base-Base interactions energy: -296.724
where: short stacking energy: -150.688
Base-Backbone interact. energy: -0.145
local terms energy: -192.629090
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -43.016
flat angles C4'-P-C4' energy: -60.358
flat angles P-C4'-P energy: -33.572
tors. eta vs tors. theta energy: -29.819
Dist. restrs. and SS energy: 0.000 (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: 226
Temperature: 1.350000
Total energy: -487.237667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.237667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.237667 (E_RNA)
where:
Base-Base interactions energy: -276.761
where: short stacking energy: -137.709
Base-Backbone interact. energy: -0.387
local terms energy: -210.090465
where:
bonds (distance) C4'-P energy: -50.136
bonds (distance) P-C4' energy: -56.897
flat angles C4'-P-C4' energy: -49.239
flat angles P-C4'-P energy: -37.589
tors. eta vs tors. theta energy: -16.229
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: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1067.933720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.933720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.933720 (E_RNA)
where:
Base-Base interactions energy: -740.270
where: short stacking energy: -327.035
Base-Backbone interact. energy: -0.168
local terms energy: -327.495547
where:
bonds (distance) C4'-P energy: -57.507
bonds (distance) P-C4' energy: -65.552
flat angles C4'-P-C4' energy: -64.498
flat angles P-C4'-P energy: -44.671
tors. eta vs tors. theta energy: -95.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1046.681718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.681718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.681718 (E_RNA)
where:
Base-Base interactions energy: -737.490
where: short stacking energy: -311.603
Base-Backbone interact. energy: 0.373
local terms energy: -309.563969
where:
bonds (distance) C4'-P energy: -51.399
bonds (distance) P-C4' energy: -47.836
flat angles C4'-P-C4' energy: -66.631
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: -95.821
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: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -982.326678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.326678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.326678 (E_RNA)
where:
Base-Base interactions energy: -669.536
where: short stacking energy: -275.733
Base-Backbone interact. energy: -1.192
local terms energy: -311.597973
where:
bonds (distance) C4'-P energy: -56.786
bonds (distance) P-C4' energy: -63.215
flat angles C4'-P-C4' energy: -67.526
flat angles P-C4'-P energy: -44.625
tors. eta vs tors. theta energy: -79.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -967.432049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.432049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.432049 (E_RNA)
where:
Base-Base interactions energy: -685.376
where: short stacking energy: -292.261
Base-Backbone interact. energy: -1.465
local terms energy: -280.591025
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -54.692
flat angles C4'-P-C4' energy: -68.175
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -79.069
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: 5, replica: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -903.020103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.020103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.020103 (E_RNA)
where:
Base-Base interactions energy: -602.336
where: short stacking energy: -283.885
Base-Backbone interact. energy: -0.463
local terms energy: -300.221467
where:
bonds (distance) C4'-P energy: -54.986
bonds (distance) P-C4' energy: -58.241
flat angles C4'-P-C4' energy: -63.962
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -78.011
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: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -810.136871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.136871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.136871 (E_RNA)
where:
Base-Base interactions energy: -537.557
where: short stacking energy: -245.571
Base-Backbone interact. energy: -1.490
local terms energy: -271.090135
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -66.748
flat angles C4'-P-C4' energy: -61.804
flat angles P-C4'-P energy: -35.165
tors. eta vs tors. theta energy: -67.705
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: 7, replica: 4
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -707.400063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.400063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.400063 (E_RNA)
where:
Base-Base interactions energy: -472.840
where: short stacking energy: -205.280
Base-Backbone interact. energy: -0.467
local terms energy: -234.092857
where:
bonds (distance) C4'-P energy: -46.690
bonds (distance) P-C4' energy: -50.306
flat angles C4'-P-C4' energy: -57.893
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: -51.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -613.782541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.782541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.782541 (E_RNA)
where:
Base-Base interactions energy: -387.710
where: short stacking energy: -206.454
Base-Backbone interact. energy: -0.653
local terms energy: -225.419666
where:
bonds (distance) C4'-P energy: -51.405
bonds (distance) P-C4' energy: -48.121
flat angles C4'-P-C4' energy: -57.253
flat angles P-C4'-P energy: -32.446
tors. eta vs tors. theta energy: -36.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -499.459984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.459984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.459984 (E_RNA)
where:
Base-Base interactions energy: -311.558
where: short stacking energy: -140.539
Base-Backbone interact. energy: -1.871
local terms energy: -186.030325
where:
bonds (distance) C4'-P energy: -43.272
bonds (distance) P-C4' energy: -46.555
flat angles C4'-P-C4' energy: -44.175
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -15.521
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: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -480.461068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.461068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.461068 (E_RNA)
where:
Base-Base interactions energy: -270.549
where: short stacking energy: -142.239
Base-Backbone interact. energy: 5.226
local terms energy: -215.137483
where:
bonds (distance) C4'-P energy: -55.177
bonds (distance) P-C4' energy: -58.765
flat angles C4'-P-C4' energy: -49.533
flat angles P-C4'-P energy: -24.952
tors. eta vs tors. theta energy: -26.710
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: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1084.685370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.685370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.685370 (E_RNA)
where:
Base-Base interactions energy: -761.416
where: short stacking energy: -334.798
Base-Backbone interact. energy: 1.358
local terms energy: -324.627207
where:
bonds (distance) C4'-P energy: -63.577
bonds (distance) P-C4' energy: -65.480
flat angles C4'-P-C4' energy: -62.333
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -96.643
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: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1028.728128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.728128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.728128 (E_RNA)
where:
Base-Base interactions energy: -707.218
where: short stacking energy: -317.992
Base-Backbone interact. energy: -0.486
local terms energy: -321.024456
where:
bonds (distance) C4'-P energy: -60.140
bonds (distance) P-C4' energy: -62.316
flat angles C4'-P-C4' energy: -66.157
flat angles P-C4'-P energy: -40.192
tors. eta vs tors. theta energy: -92.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1009.167949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.167949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.167949 (E_RNA)
where:
Base-Base interactions energy: -700.338
where: short stacking energy: -299.014
Base-Backbone interact. energy: -1.940
local terms energy: -306.889892
where:
bonds (distance) C4'-P energy: -58.972
bonds (distance) P-C4' energy: -60.794
flat angles C4'-P-C4' energy: -63.507
flat angles P-C4'-P energy: -44.148
tors. eta vs tors. theta energy: -79.469
Dist. restrs. and SS energy: 0.000 (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: 228
Temperature: 1.050000
Total energy: -985.621263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.621263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.621263 (E_RNA)
where:
Base-Base interactions energy: -683.899
where: short stacking energy: -278.664
Base-Backbone interact. energy: -1.199
local terms energy: -300.522861
where:
bonds (distance) C4'-P energy: -49.054
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -61.499
flat angles P-C4'-P energy: -50.796
tors. eta vs tors. theta energy: -83.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -897.128959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.128959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.128959 (E_RNA)
where:
Base-Base interactions energy: -592.533
where: short stacking energy: -300.083
Base-Backbone interact. energy: -0.082
local terms energy: -304.514433
where:
bonds (distance) C4'-P energy: -47.608
bonds (distance) P-C4' energy: -56.492
flat angles C4'-P-C4' energy: -64.464
flat angles P-C4'-P energy: -50.612
tors. eta vs tors. theta energy: -85.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -789.368448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.368448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.368448 (E_RNA)
where:
Base-Base interactions energy: -539.763
where: short stacking energy: -258.493
Base-Backbone interact. energy: -1.175
local terms energy: -248.431252
where:
bonds (distance) C4'-P energy: -52.628
bonds (distance) P-C4' energy: -51.445
flat angles C4'-P-C4' energy: -57.314
flat angles P-C4'-P energy: -34.578
tors. eta vs tors. theta energy: -52.465
Dist. restrs. and SS energy: 0.000 (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: 228
Temperature: 1.200000
Total energy: -743.162879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.162879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.162879 (E_RNA)
where:
Base-Base interactions energy: -481.043
where: short stacking energy: -218.445
Base-Backbone interact. energy: -0.302
local terms energy: -261.817654
where:
bonds (distance) C4'-P energy: -48.696
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -54.233
flat angles P-C4'-P energy: -43.996
tors. eta vs tors. theta energy: -52.001
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: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -586.840036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.840036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.840036 (E_RNA)
where:
Base-Base interactions energy: -369.921
where: short stacking energy: -171.693
Base-Backbone interact. energy: 1.990
local terms energy: -218.909273
where:
bonds (distance) C4'-P energy: -51.552
bonds (distance) P-C4' energy: -56.287
flat angles C4'-P-C4' energy: -50.983
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -25.581
Dist. restrs. and SS energy: 0.000 (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: 228
Temperature: 1.300000
Total energy: -495.348602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.348602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.348602 (E_RNA)
where:
Base-Base interactions energy: -304.941
where: short stacking energy: -146.452
Base-Backbone interact. energy: 2.200
local terms energy: -192.607947
where:
bonds (distance) C4'-P energy: -43.715
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -47.637
flat angles P-C4'-P energy: -31.788
tors. eta vs tors. theta energy: -15.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -467.142229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.142229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.142229 (E_RNA)
where:
Base-Base interactions energy: -274.100
where: short stacking energy: -136.569
Base-Backbone interact. energy: -0.527
local terms energy: -192.515645
where:
bonds (distance) C4'-P energy: -43.143
bonds (distance) P-C4' energy: -57.208
flat angles C4'-P-C4' energy: -44.674
flat angles P-C4'-P energy: -31.500
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (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: 229
Temperature: 0.900000
Total energy: -1067.750914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.750914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.750914 (E_RNA)
where:
Base-Base interactions energy: -737.964
where: short stacking energy: -326.163
Base-Backbone interact. energy: -0.647
local terms energy: -329.140320
where:
bonds (distance) C4'-P energy: -60.705
bonds (distance) P-C4' energy: -58.357
flat angles C4'-P-C4' energy: -68.827
flat angles P-C4'-P energy: -47.711
tors. eta vs tors. theta energy: -93.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1039.380060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.380060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.380060 (E_RNA)
where:
Base-Base interactions energy: -716.073
where: short stacking energy: -326.514
Base-Backbone interact. energy: 0.242
local terms energy: -323.549277
where:
bonds (distance) C4'-P energy: -53.116
bonds (distance) P-C4' energy: -56.207
flat angles C4'-P-C4' energy: -72.325
flat angles P-C4'-P energy: -47.180
tors. eta vs tors. theta energy: -94.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1007.892199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.892199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.892199 (E_RNA)
where:
Base-Base interactions energy: -715.652
where: short stacking energy: -319.121
Base-Backbone interact. energy: -1.200
local terms energy: -291.040129
where:
bonds (distance) C4'-P energy: -57.647
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -58.398
flat angles P-C4'-P energy: -39.948
tors. eta vs tors. theta energy: -82.241
Dist. restrs. and SS energy: 0.000 (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: 229
Temperature: 1.050000
Total energy: -987.773682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.773682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.773682 (E_RNA)
where:
Base-Base interactions energy: -698.552
where: short stacking energy: -272.161
Base-Backbone interact. energy: -1.729
local terms energy: -287.492882
where:
bonds (distance) C4'-P energy: -50.313
bonds (distance) P-C4' energy: -58.627
flat angles C4'-P-C4' energy: -54.807
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -81.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -884.863119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.863119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.863119 (E_RNA)
where:
Base-Base interactions energy: -590.523
where: short stacking energy: -274.850
Base-Backbone interact. energy: -0.743
local terms energy: -293.597272
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -62.451
flat angles C4'-P-C4' energy: -60.403
flat angles P-C4'-P energy: -44.572
tors. eta vs tors. theta energy: -81.741
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: 6, replica: 4
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -761.000684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.000684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.000684 (E_RNA)
where:
Base-Base interactions energy: -510.130
where: short stacking energy: -244.125
Base-Backbone interact. energy: 4.869
local terms energy: -255.739533
where:
bonds (distance) C4'-P energy: -45.765
bonds (distance) P-C4' energy: -57.070
flat angles C4'-P-C4' energy: -55.906
flat angles P-C4'-P energy: -33.376
tors. eta vs tors. theta energy: -63.623
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: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -760.293758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.293758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.293758 (E_RNA)
where:
Base-Base interactions energy: -522.647
where: short stacking energy: -212.602
Base-Backbone interact. energy: -1.067
local terms energy: -236.579701
where:
bonds (distance) C4'-P energy: -42.499
bonds (distance) P-C4' energy: -53.465
flat angles C4'-P-C4' energy: -56.148
flat angles P-C4'-P energy: -44.138
tors. eta vs tors. theta energy: -40.329
Dist. restrs. and SS energy: 0.000 (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: 229
Temperature: 1.250000
Total energy: -633.415563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.415563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.415563 (E_RNA)
where:
Base-Base interactions energy: -403.007
where: short stacking energy: -200.102
Base-Backbone interact. energy: -1.131
local terms energy: -229.277583
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -50.218
flat angles C4'-P-C4' energy: -61.054
flat angles P-C4'-P energy: -44.953
tors. eta vs tors. theta energy: -37.838
Dist. restrs. and SS energy: 0.000 (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: 229
Temperature: 1.300000
Total energy: -527.803103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.803103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.803103 (E_RNA)
where:
Base-Base interactions energy: -322.447
where: short stacking energy: -149.712
Base-Backbone interact. energy: 0.707
local terms energy: -206.063281
where:
bonds (distance) C4'-P energy: -46.115
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -45.614
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -476.329965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.329965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.329965 (E_RNA)
where:
Base-Base interactions energy: -276.990
where: short stacking energy: -143.391
Base-Backbone interact. energy: 4.924
local terms energy: -204.263831
where:
bonds (distance) C4'-P energy: -53.616
bonds (distance) P-C4' energy: -49.828
flat angles C4'-P-C4' energy: -62.948
flat angles P-C4'-P energy: -19.486
tors. eta vs tors. theta energy: -18.386
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: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1063.269969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.269969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.269969 (E_RNA)
where:
Base-Base interactions energy: -740.094
where: short stacking energy: -332.376
Base-Backbone interact. energy: 0.885
local terms energy: -324.060595
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -67.668
flat angles C4'-P-C4' energy: -69.193
flat angles P-C4'-P energy: -45.500
tors. eta vs tors. theta energy: -93.805
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: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1051.262602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.262602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.262602 (E_RNA)
where:
Base-Base interactions energy: -727.375
where: short stacking energy: -304.488
Base-Backbone interact. energy: 2.476
local terms energy: -326.363443
where:
bonds (distance) C4'-P energy: -64.785
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -61.737
flat angles P-C4'-P energy: -49.376
tors. eta vs tors. theta energy: -92.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -998.405314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.405314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.405314 (E_RNA)
where:
Base-Base interactions energy: -695.221
where: short stacking energy: -279.622
Base-Backbone interact. energy: -0.934
local terms energy: -302.249704
where:
bonds (distance) C4'-P energy: -61.266
bonds (distance) P-C4' energy: -52.260
flat angles C4'-P-C4' energy: -61.738
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: -82.839
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: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -966.716276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.716276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.716276 (E_RNA)
where:
Base-Base interactions energy: -680.671
where: short stacking energy: -291.500
Base-Backbone interact. energy: -1.378
local terms energy: -284.667944
where:
bonds (distance) C4'-P energy: -54.155
bonds (distance) P-C4' energy: -50.924
flat angles C4'-P-C4' energy: -58.416
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -71.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -869.244389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.244389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.244389 (E_RNA)
where:
Base-Base interactions energy: -583.940
where: short stacking energy: -268.998
Base-Backbone interact. energy: -0.704
local terms energy: -284.599783
where:
bonds (distance) C4'-P energy: -58.660
bonds (distance) P-C4' energy: -48.716
flat angles C4'-P-C4' energy: -61.743
flat angles P-C4'-P energy: -43.891
tors. eta vs tors. theta energy: -71.591
Dist. restrs. and SS energy: 0.000 (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: 230
Temperature: 1.150000
Total energy: -746.919636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.919636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.919636 (E_RNA)
where:
Base-Base interactions energy: -488.351
where: short stacking energy: -233.771
Base-Backbone interact. energy: -1.067
local terms energy: -257.501780
where:
bonds (distance) C4'-P energy: -56.705
bonds (distance) P-C4' energy: -49.953
flat angles C4'-P-C4' energy: -58.661
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: -54.589
Dist. restrs. and SS energy: 0.000 (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: 230
Temperature: 1.200000
Total energy: -773.101126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.101126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.101126 (E_RNA)
where:
Base-Base interactions energy: -516.481
where: short stacking energy: -221.354
Base-Backbone interact. energy: -0.694
local terms energy: -255.926468
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -54.676
flat angles C4'-P-C4' energy: -55.506
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -54.921
Dist. restrs. and SS energy: 0.000 (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: 230
Temperature: 1.250000
Total energy: -600.109608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.109608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.109608 (E_RNA)
where:
Base-Base interactions energy: -387.853
where: short stacking energy: -185.254
Base-Backbone interact. energy: 0.012
local terms energy: -212.269132
where:
bonds (distance) C4'-P energy: -51.296
bonds (distance) P-C4' energy: -52.642
flat angles C4'-P-C4' energy: -37.557
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -33.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -500.746099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.746099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.746099 (E_RNA)
where:
Base-Base interactions energy: -295.287
where: short stacking energy: -158.538
Base-Backbone interact. energy: -1.686
local terms energy: -203.772500
where:
bonds (distance) C4'-P energy: -36.246
bonds (distance) P-C4' energy: -52.822
flat angles C4'-P-C4' energy: -61.442
flat angles P-C4'-P energy: -32.187
tors. eta vs tors. theta energy: -21.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -502.358778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.358778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.358778 (E_RNA)
where:
Base-Base interactions energy: -320.481
where: short stacking energy: -146.609
Base-Backbone interact. energy: 1.757
local terms energy: -183.634350
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -55.000
flat angles C4'-P-C4' energy: -38.616
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.000 (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: 231
Temperature: 0.900000
Total energy: -1063.428589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.428589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.428589 (E_RNA)
where:
Base-Base interactions energy: -727.151
where: short stacking energy: -326.806
Base-Backbone interact. energy: -0.063
local terms energy: -336.214472
where:
bonds (distance) C4'-P energy: -61.296
bonds (distance) P-C4' energy: -58.792
flat angles C4'-P-C4' energy: -74.574
flat angles P-C4'-P energy: -46.626
tors. eta vs tors. theta energy: -94.926
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: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1028.933557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.933557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.933557 (E_RNA)
where:
Base-Base interactions energy: -713.278
where: short stacking energy: -295.514
Base-Backbone interact. energy: 0.588
local terms energy: -316.243259
where:
bonds (distance) C4'-P energy: -64.407
bonds (distance) P-C4' energy: -60.884
flat angles C4'-P-C4' energy: -63.422
flat angles P-C4'-P energy: -44.133
tors. eta vs tors. theta energy: -83.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1036.090265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.090265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.090265 (E_RNA)
where:
Base-Base interactions energy: -708.948
where: short stacking energy: -319.105
Base-Backbone interact. energy: -1.154
local terms energy: -325.988536
where:
bonds (distance) C4'-P energy: -55.010
bonds (distance) P-C4' energy: -59.785
flat angles C4'-P-C4' energy: -74.484
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -91.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -976.544278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.544278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.544278 (E_RNA)
where:
Base-Base interactions energy: -678.745
where: short stacking energy: -293.196
Base-Backbone interact. energy: 0.401
local terms energy: -298.200346
where:
bonds (distance) C4'-P energy: -51.960
bonds (distance) P-C4' energy: -61.643
flat angles C4'-P-C4' energy: -57.419
flat angles P-C4'-P energy: -46.404
tors. eta vs tors. theta energy: -80.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -884.497801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.497801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.497801 (E_RNA)
where:
Base-Base interactions energy: -592.224
where: short stacking energy: -257.799
Base-Backbone interact. energy: -0.311
local terms energy: -291.962545
where:
bonds (distance) C4'-P energy: -57.329
bonds (distance) P-C4' energy: -56.181
flat angles C4'-P-C4' energy: -56.864
flat angles P-C4'-P energy: -47.472
tors. eta vs tors. theta energy: -74.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -778.697557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.697557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.697557 (E_RNA)
where:
Base-Base interactions energy: -515.753
where: short stacking energy: -249.883
Base-Backbone interact. energy: -0.985
local terms energy: -261.959874
where:
bonds (distance) C4'-P energy: -47.496
bonds (distance) P-C4' energy: -62.849
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -34.718
tors. eta vs tors. theta energy: -57.979
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: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -750.610053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.610053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.610053 (E_RNA)
where:
Base-Base interactions energy: -493.243
where: short stacking energy: -208.396
Base-Backbone interact. energy: -0.052
local terms energy: -257.314684
where:
bonds (distance) C4'-P energy: -47.666
bonds (distance) P-C4' energy: -53.936
flat angles C4'-P-C4' energy: -58.801
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: -56.865
Dist. restrs. and SS energy: 0.000 (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: 231
Temperature: 1.250000
Total energy: -621.377824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.377824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.377824 (E_RNA)
where:
Base-Base interactions energy: -396.102
where: short stacking energy: -187.776
Base-Backbone interact. energy: -1.528
local terms energy: -223.747900
where:
bonds (distance) C4'-P energy: -48.855
bonds (distance) P-C4' energy: -50.371
flat angles C4'-P-C4' energy: -56.302
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -35.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -509.744887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.744887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.744887 (E_RNA)
where:
Base-Base interactions energy: -306.658
where: short stacking energy: -150.854
Base-Backbone interact. energy: -2.762
local terms energy: -200.324933
where:
bonds (distance) C4'-P energy: -53.625
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -51.401
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -24.017
Dist. restrs. and SS energy: 0.000 (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: 231
Temperature: 1.350000
Total energy: -475.990179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.990179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.990179 (E_RNA)
where:
Base-Base interactions energy: -282.278
where: short stacking energy: -157.933
Base-Backbone interact. energy: -0.585
local terms energy: -193.126475
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -49.400
flat angles C4'-P-C4' energy: -41.834
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -28.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1063.637967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.637967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.637967 (E_RNA)
where:
Base-Base interactions energy: -739.284
where: short stacking energy: -330.852
Base-Backbone interact. energy: -0.816
local terms energy: -323.538493
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -59.346
flat angles C4'-P-C4' energy: -69.032
flat angles P-C4'-P energy: -48.038
tors. eta vs tors. theta energy: -97.247
Dist. restrs. and SS energy: 0.000 (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: 232
Temperature: 0.950000
Total energy: -1052.092525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.092525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.092525 (E_RNA)
where:
Base-Base interactions energy: -726.809
where: short stacking energy: -299.201
Base-Backbone interact. energy: -1.142
local terms energy: -324.140789
where:
bonds (distance) C4'-P energy: -62.223
bonds (distance) P-C4' energy: -57.168
flat angles C4'-P-C4' energy: -70.511
flat angles P-C4'-P energy: -50.377
tors. eta vs tors. theta energy: -83.862
Dist. restrs. and SS energy: 0.000 (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: 232
Temperature: 1.000000
Total energy: -1021.556827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.556827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.556827 (E_RNA)
where:
Base-Base interactions energy: -693.023
where: short stacking energy: -304.077
Base-Backbone interact. energy: 0.153
local terms energy: -328.687161
where:
bonds (distance) C4'-P energy: -67.534
bonds (distance) P-C4' energy: -57.996
flat angles C4'-P-C4' energy: -68.601
flat angles P-C4'-P energy: -43.878
tors. eta vs tors. theta energy: -90.679
Dist. restrs. and SS energy: 0.000 (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: 232
Temperature: 1.050000
Total energy: -952.859100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.859100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.859100 (E_RNA)
where:
Base-Base interactions energy: -666.059
where: short stacking energy: -275.932
Base-Backbone interact. energy: 0.396
local terms energy: -287.196284
where:
bonds (distance) C4'-P energy: -48.488
bonds (distance) P-C4' energy: -58.855
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -44.952
tors. eta vs tors. theta energy: -72.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -900.749744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.749744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.749744 (E_RNA)
where:
Base-Base interactions energy: -607.846
where: short stacking energy: -265.854
Base-Backbone interact. energy: -1.744
local terms energy: -291.160255
where:
bonds (distance) C4'-P energy: -54.489
bonds (distance) P-C4' energy: -58.510
flat angles C4'-P-C4' energy: -62.561
flat angles P-C4'-P energy: -38.890
tors. eta vs tors. theta energy: -76.709
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: 4
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -755.438802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.438802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.438802 (E_RNA)
where:
Base-Base interactions energy: -495.782
where: short stacking energy: -221.402
Base-Backbone interact. energy: -2.609
local terms energy: -257.047434
where:
bonds (distance) C4'-P energy: -50.864
bonds (distance) P-C4' energy: -47.465
flat angles C4'-P-C4' energy: -60.460
flat angles P-C4'-P energy: -40.509
tors. eta vs tors. theta energy: -57.750
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: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -718.826628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.826628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.826628 (E_RNA)
where:
Base-Base interactions energy: -474.176
where: short stacking energy: -223.310
Base-Backbone interact. energy: -1.447
local terms energy: -243.202982
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -58.130
flat angles C4'-P-C4' energy: -52.588
flat angles P-C4'-P energy: -33.768
tors. eta vs tors. theta energy: -49.357
Dist. restrs. and SS energy: 0.000 (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: 232
Temperature: 1.250000
Total energy: -618.017269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.017269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.017269 (E_RNA)
where:
Base-Base interactions energy: -385.748
where: short stacking energy: -176.939
Base-Backbone interact. energy: -0.418
local terms energy: -231.850414
where:
bonds (distance) C4'-P energy: -43.199
bonds (distance) P-C4' energy: -62.838
flat angles C4'-P-C4' energy: -57.883
flat angles P-C4'-P energy: -24.912
tors. eta vs tors. theta energy: -43.019
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: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -491.320534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.320534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.320534 (E_RNA)
where:
Base-Base interactions energy: -321.674
where: short stacking energy: -138.751
Base-Backbone interact. energy: -0.523
local terms energy: -169.123692
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -48.450
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: 0.000 (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: 232
Temperature: 1.350000
Total energy: -473.341127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.341127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.341127 (E_RNA)
where:
Base-Base interactions energy: -283.692
where: short stacking energy: -131.467
Base-Backbone interact. energy: 5.946
local terms energy: -195.594592
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -50.497
flat angles P-C4'-P energy: -20.492
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1065.575479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.575479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.575479 (E_RNA)
where:
Base-Base interactions energy: -729.938
where: short stacking energy: -341.043
Base-Backbone interact. energy: 3.085
local terms energy: -338.722330
where:
bonds (distance) C4'-P energy: -55.931
bonds (distance) P-C4' energy: -61.186
flat angles C4'-P-C4' energy: -71.272
flat angles P-C4'-P energy: -46.452
tors. eta vs tors. theta energy: -103.881
Dist. restrs. and SS energy: 0.000 (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: 233
Temperature: 0.950000
Total energy: -1035.598437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.598437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.598437 (E_RNA)
where:
Base-Base interactions energy: -731.924
where: short stacking energy: -316.660
Base-Backbone interact. energy: 0.070
local terms energy: -303.744855
where:
bonds (distance) C4'-P energy: -64.324
bonds (distance) P-C4' energy: -52.125
flat angles C4'-P-C4' energy: -61.618
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -90.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1001.199114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.199114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.199114 (E_RNA)
where:
Base-Base interactions energy: -697.192
where: short stacking energy: -306.645
Base-Backbone interact. energy: -0.154
local terms energy: -303.852777
where:
bonds (distance) C4'-P energy: -53.077
bonds (distance) P-C4' energy: -56.369
flat angles C4'-P-C4' energy: -59.805
flat angles P-C4'-P energy: -42.988
tors. eta vs tors. theta energy: -91.613
Dist. restrs. and SS energy: 0.000 (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: 233
Temperature: 1.050000
Total energy: -935.362834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.362834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.362834 (E_RNA)
where:
Base-Base interactions energy: -633.048
where: short stacking energy: -276.330
Base-Backbone interact. energy: 2.090
local terms energy: -304.404800
where:
bonds (distance) C4'-P energy: -58.405
bonds (distance) P-C4' energy: -67.489
flat angles C4'-P-C4' energy: -61.653
flat angles P-C4'-P energy: -45.191
tors. eta vs tors. theta energy: -71.667
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: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -906.576313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.576313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.576313 (E_RNA)
where:
Base-Base interactions energy: -614.868
where: short stacking energy: -254.507
Base-Backbone interact. energy: 0.600
local terms energy: -292.308226
where:
bonds (distance) C4'-P energy: -54.767
bonds (distance) P-C4' energy: -56.151
flat angles C4'-P-C4' energy: -58.396
flat angles P-C4'-P energy: -49.654
tors. eta vs tors. theta energy: -73.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -801.116068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.116068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.116068 (E_RNA)
where:
Base-Base interactions energy: -545.771
where: short stacking energy: -246.173
Base-Backbone interact. energy: 0.588
local terms energy: -255.933302
where:
bonds (distance) C4'-P energy: -50.873
bonds (distance) P-C4' energy: -50.274
flat angles C4'-P-C4' energy: -59.077
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: -65.789
Dist. restrs. and SS energy: 0.000 (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: 233
Temperature: 1.200000
Total energy: -749.378091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.378091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.378091 (E_RNA)
where:
Base-Base interactions energy: -488.028
where: short stacking energy: -234.085
Base-Backbone interact. energy: -1.543
local terms energy: -259.807409
where:
bonds (distance) C4'-P energy: -42.797
bonds (distance) P-C4' energy: -53.662
flat angles C4'-P-C4' energy: -57.341
flat angles P-C4'-P energy: -43.525
tors. eta vs tors. theta energy: -62.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -632.240923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.240923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.240923 (E_RNA)
where:
Base-Base interactions energy: -411.291
where: short stacking energy: -182.483
Base-Backbone interact. energy: -1.260
local terms energy: -219.689822
where:
bonds (distance) C4'-P energy: -48.910
bonds (distance) P-C4' energy: -56.451
flat angles C4'-P-C4' energy: -50.103
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -37.264
Dist. restrs. and SS energy: 0.000 (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: 233
Temperature: 1.300000
Total energy: -497.617167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.617167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.617167 (E_RNA)
where:
Base-Base interactions energy: -307.787
where: short stacking energy: -126.942
Base-Backbone interact. energy: 4.092
local terms energy: -193.922028
where:
bonds (distance) C4'-P energy: -42.854
bonds (distance) P-C4' energy: -53.484
flat angles C4'-P-C4' energy: -54.637
flat angles P-C4'-P energy: -28.425
tors. eta vs tors. theta energy: -14.521
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: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -458.686186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.686186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.686186 (E_RNA)
where:
Base-Base interactions energy: -272.470
where: short stacking energy: -147.618
Base-Backbone interact. energy: -0.010
local terms energy: -186.206317
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -46.083
flat angles C4'-P-C4' energy: -40.566
flat angles P-C4'-P energy: -27.583
tors. eta vs tors. theta energy: -22.527
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: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1069.351572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.351572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.351572 (E_RNA)
where:
Base-Base interactions energy: -728.524
where: short stacking energy: -320.428
Base-Backbone interact. energy: -0.199
local terms energy: -340.628101
where:
bonds (distance) C4'-P energy: -52.653
bonds (distance) P-C4' energy: -67.539
flat angles C4'-P-C4' energy: -72.862
flat angles P-C4'-P energy: -48.228
tors. eta vs tors. theta energy: -99.346
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: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1041.907221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.907221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.907221 (E_RNA)
where:
Base-Base interactions energy: -729.295
where: short stacking energy: -287.268
Base-Backbone interact. energy: -2.995
local terms energy: -309.616884
where:
bonds (distance) C4'-P energy: -58.314
bonds (distance) P-C4' energy: -58.486
flat angles C4'-P-C4' energy: -69.035
flat angles P-C4'-P energy: -42.058
tors. eta vs tors. theta energy: -81.723
Dist. restrs. and SS energy: 0.000 (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: 234
Temperature: 1.000000
Total energy: -1003.491038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.491038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.491038 (E_RNA)
where:
Base-Base interactions energy: -688.819
where: short stacking energy: -298.696
Base-Backbone interact. energy: -0.136
local terms energy: -314.536281
where:
bonds (distance) C4'-P energy: -58.293
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -65.854
flat angles P-C4'-P energy: -45.239
tors. eta vs tors. theta energy: -93.486
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: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -932.707125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.707125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.707125 (E_RNA)
where:
Base-Base interactions energy: -622.005
where: short stacking energy: -280.974
Base-Backbone interact. energy: -0.685
local terms energy: -310.017195
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -61.924
flat angles C4'-P-C4' energy: -61.149
flat angles P-C4'-P energy: -50.879
tors. eta vs tors. theta energy: -87.499
Dist. restrs. and SS energy: 0.000 (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: 234
Temperature: 1.100000
Total energy: -916.147941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.147941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.147941 (E_RNA)
where:
Base-Base interactions energy: -625.138
where: short stacking energy: -264.039
Base-Backbone interact. energy: -0.731
local terms energy: -290.279081
where:
bonds (distance) C4'-P energy: -62.208
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -59.133
flat angles P-C4'-P energy: -39.959
tors. eta vs tors. theta energy: -80.585
Dist. restrs. and SS energy: 0.000 (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: 234
Temperature: 1.150000
Total energy: -807.309158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.309158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.309158 (E_RNA)
where:
Base-Base interactions energy: -547.454
where: short stacking energy: -271.599
Base-Backbone interact. energy: 1.608
local terms energy: -261.463245
where:
bonds (distance) C4'-P energy: -45.949
bonds (distance) P-C4' energy: -44.003
flat angles C4'-P-C4' energy: -60.030
flat angles P-C4'-P energy: -37.220
tors. eta vs tors. theta energy: -74.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -772.051862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.051862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.051862 (E_RNA)
where:
Base-Base interactions energy: -515.395
where: short stacking energy: -227.983
Base-Backbone interact. energy: -1.604
local terms energy: -255.053218
where:
bonds (distance) C4'-P energy: -60.147
bonds (distance) P-C4' energy: -53.986
flat angles C4'-P-C4' energy: -53.700
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -51.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -627.637243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.637243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.637243 (E_RNA)
where:
Base-Base interactions energy: -374.917
where: short stacking energy: -196.691
Base-Backbone interact. energy: -2.021
local terms energy: -250.699788
where:
bonds (distance) C4'-P energy: -48.329
bonds (distance) P-C4' energy: -60.449
flat angles C4'-P-C4' energy: -64.889
flat angles P-C4'-P energy: -35.891
tors. eta vs tors. theta energy: -41.142
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: 7
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -499.033433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.033433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.033433 (E_RNA)
where:
Base-Base interactions energy: -291.942
where: short stacking energy: -145.844
Base-Backbone interact. energy: -1.522
local terms energy: -205.569884
where:
bonds (distance) C4'-P energy: -45.795
bonds (distance) P-C4' energy: -46.259
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -32.463
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: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -448.765556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.765556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.765556 (E_RNA)
where:
Base-Base interactions energy: -280.030
where: short stacking energy: -135.774
Base-Backbone interact. energy: 2.872
local terms energy: -171.607617
where:
bonds (distance) C4'-P energy: -38.902
bonds (distance) P-C4' energy: -51.952
flat angles C4'-P-C4' energy: -45.584
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1063.746707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.746707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.746707 (E_RNA)
where:
Base-Base interactions energy: -728.891
where: short stacking energy: -343.499
Base-Backbone interact. energy: -1.000
local terms energy: -333.855054
where:
bonds (distance) C4'-P energy: -53.116
bonds (distance) P-C4' energy: -67.581
flat angles C4'-P-C4' energy: -68.739
flat angles P-C4'-P energy: -46.611
tors. eta vs tors. theta energy: -97.808
Dist. restrs. and SS energy: 0.000 (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: 235
Temperature: 0.950000
Total energy: -1036.996071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.996071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.996071 (E_RNA)
where:
Base-Base interactions energy: -737.363
where: short stacking energy: -286.120
Base-Backbone interact. energy: -2.226
local terms energy: -297.406392
where:
bonds (distance) C4'-P energy: -52.811
bonds (distance) P-C4' energy: -52.255
flat angles C4'-P-C4' energy: -66.359
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: -77.462
Dist. restrs. and SS energy: 0.000 (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: 235
Temperature: 1.000000
Total energy: -999.414998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.414998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.414998 (E_RNA)
where:
Base-Base interactions energy: -706.085
where: short stacking energy: -301.156
Base-Backbone interact. energy: -0.660
local terms energy: -292.669833
where:
bonds (distance) C4'-P energy: -51.863
bonds (distance) P-C4' energy: -40.139
flat angles C4'-P-C4' energy: -67.831
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -91.463
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: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -940.117349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.117349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.117349 (E_RNA)
where:
Base-Base interactions energy: -638.546
where: short stacking energy: -273.105
Base-Backbone interact. energy: -2.019
local terms energy: -299.551916
where:
bonds (distance) C4'-P energy: -54.036
bonds (distance) P-C4' energy: -51.566
flat angles C4'-P-C4' energy: -66.309
flat angles P-C4'-P energy: -48.123
tors. eta vs tors. theta energy: -79.517
Dist. restrs. and SS energy: 0.000 (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: 235
Temperature: 1.100000
Total energy: -899.011784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.011784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.011784 (E_RNA)
where:
Base-Base interactions energy: -612.637
where: short stacking energy: -277.280
Base-Backbone interact. energy: 1.504
local terms energy: -287.879089
where:
bonds (distance) C4'-P energy: -52.813
bonds (distance) P-C4' energy: -57.972
flat angles C4'-P-C4' energy: -61.221
flat angles P-C4'-P energy: -40.741
tors. eta vs tors. theta energy: -75.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -813.324465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.324465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.324465 (E_RNA)
where:
Base-Base interactions energy: -539.620
where: short stacking energy: -247.390
Base-Backbone interact. energy: -0.454
local terms energy: -273.250191
where:
bonds (distance) C4'-P energy: -47.666
bonds (distance) P-C4' energy: -60.487
flat angles C4'-P-C4' energy: -63.799
flat angles P-C4'-P energy: -40.509
tors. eta vs tors. theta energy: -60.789
Dist. restrs. and SS energy: 0.000 (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: 235
Temperature: 1.200000
Total energy: -732.090518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.090518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.090518 (E_RNA)
where:
Base-Base interactions energy: -467.616
where: short stacking energy: -216.642
Base-Backbone interact. energy: 1.030
local terms energy: -265.503862
where:
bonds (distance) C4'-P energy: -57.379
bonds (distance) P-C4' energy: -55.726
flat angles C4'-P-C4' energy: -50.039
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -59.409
Dist. restrs. and SS energy: 0.000 (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: 235
Temperature: 1.250000
Total energy: -600.527164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.527164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.527164 (E_RNA)
where:
Base-Base interactions energy: -378.165
where: short stacking energy: -161.670
Base-Backbone interact. energy: 1.450
local terms energy: -223.811773
where:
bonds (distance) C4'-P energy: -51.899
bonds (distance) P-C4' energy: -55.816
flat angles C4'-P-C4' energy: -56.370
flat angles P-C4'-P energy: -37.097
tors. eta vs tors. theta energy: -22.630
Dist. restrs. and SS energy: 0.000 (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: 235
Temperature: 1.300000
Total energy: -524.493156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.493156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.493156 (E_RNA)
where:
Base-Base interactions energy: -332.230
where: short stacking energy: -174.354
Base-Backbone interact. energy: -0.231
local terms energy: -192.032193
where:
bonds (distance) C4'-P energy: -47.538
bonds (distance) P-C4' energy: -50.238
flat angles C4'-P-C4' energy: -45.785
flat angles P-C4'-P energy: -31.868
tors. eta vs tors. theta energy: -16.603
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: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -506.134036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.134036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.134036 (E_RNA)
where:
Base-Base interactions energy: -287.350
where: short stacking energy: -156.157
Base-Backbone interact. energy: 0.526
local terms energy: -219.309414
where:
bonds (distance) C4'-P energy: -61.382
bonds (distance) P-C4' energy: -57.914
flat angles C4'-P-C4' energy: -48.427
flat angles P-C4'-P energy: -34.889
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.000 (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: 236
Temperature: 0.900000
Total energy: -1057.609586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.609586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.609586 (E_RNA)
where:
Base-Base interactions energy: -737.843
where: short stacking energy: -305.161
Base-Backbone interact. energy: -2.212
local terms energy: -317.554705
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -57.427
flat angles C4'-P-C4' energy: -71.399
flat angles P-C4'-P energy: -45.732
tors. eta vs tors. theta energy: -85.847
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: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1038.982060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.982060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.982060 (E_RNA)
where:
Base-Base interactions energy: -713.286
where: short stacking energy: -321.440
Base-Backbone interact. energy: 0.425
local terms energy: -326.120715
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -60.743
flat angles C4'-P-C4' energy: -71.276
flat angles P-C4'-P energy: -47.633
tors. eta vs tors. theta energy: -92.346
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: 3, replica: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -955.942645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.942645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.942645 (E_RNA)
where:
Base-Base interactions energy: -660.131
where: short stacking energy: -297.112
Base-Backbone interact. energy: -0.442
local terms energy: -295.369724
where:
bonds (distance) C4'-P energy: -57.770
bonds (distance) P-C4' energy: -57.370
flat angles C4'-P-C4' energy: -67.796
flat angles P-C4'-P energy: -38.765
tors. eta vs tors. theta energy: -73.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -978.410659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.410659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.410659 (E_RNA)
where:
Base-Base interactions energy: -682.996
where: short stacking energy: -301.549
Base-Backbone interact. energy: -0.391
local terms energy: -295.022981
where:
bonds (distance) C4'-P energy: -47.201
bonds (distance) P-C4' energy: -51.964
flat angles C4'-P-C4' energy: -64.303
flat angles P-C4'-P energy: -39.295
tors. eta vs tors. theta energy: -92.259
Dist. restrs. and SS energy: 0.000 (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: 236
Temperature: 1.100000
Total energy: -892.764945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.764945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.764945 (E_RNA)
where:
Base-Base interactions energy: -598.654
where: short stacking energy: -267.185
Base-Backbone interact. energy: 0.097
local terms energy: -294.207477
where:
bonds (distance) C4'-P energy: -47.793
bonds (distance) P-C4' energy: -57.639
flat angles C4'-P-C4' energy: -63.348
flat angles P-C4'-P energy: -48.102
tors. eta vs tors. theta energy: -77.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -809.604589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.604589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.604589 (E_RNA)
where:
Base-Base interactions energy: -530.284
where: short stacking energy: -247.555
Base-Backbone interact. energy: -0.064
local terms energy: -279.257011
where:
bonds (distance) C4'-P energy: -54.476
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -55.908
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -68.168
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: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -770.089877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.089877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.089877 (E_RNA)
where:
Base-Base interactions energy: -503.542
where: short stacking energy: -240.236
Base-Backbone interact. energy: -0.704
local terms energy: -265.843586
where:
bonds (distance) C4'-P energy: -58.250
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -54.731
flat angles P-C4'-P energy: -36.475
tors. eta vs tors. theta energy: -59.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -615.895809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.895809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.895809 (E_RNA)
where:
Base-Base interactions energy: -402.193
where: short stacking energy: -198.349
Base-Backbone interact. energy: -0.413
local terms energy: -213.290710
where:
bonds (distance) C4'-P energy: -43.198
bonds (distance) P-C4' energy: -43.159
flat angles C4'-P-C4' energy: -54.696
flat angles P-C4'-P energy: -34.201
tors. eta vs tors. theta energy: -38.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -492.212360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.212360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.212360 (E_RNA)
where:
Base-Base interactions energy: -284.448
where: short stacking energy: -156.594
Base-Backbone interact. energy: -0.233
local terms energy: -207.531456
where:
bonds (distance) C4'-P energy: -41.156
bonds (distance) P-C4' energy: -54.695
flat angles C4'-P-C4' energy: -45.231
flat angles P-C4'-P energy: -33.072
tors. eta vs tors. theta energy: -33.376
Dist. restrs. and SS energy: 0.000 (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: 236
Temperature: 1.350000
Total energy: -456.636326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.636326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.636326 (E_RNA)
where:
Base-Base interactions energy: -252.224
where: short stacking energy: -113.653
Base-Backbone interact. energy: -0.968
local terms energy: -203.444741
where:
bonds (distance) C4'-P energy: -54.994
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -51.224
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (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: 237
Temperature: 0.900000
Total energy: -1042.759848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.759848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.759848 (E_RNA)
where:
Base-Base interactions energy: -733.873
where: short stacking energy: -282.789
Base-Backbone interact. energy: -1.561
local terms energy: -307.325461
where:
bonds (distance) C4'-P energy: -60.038
bonds (distance) P-C4' energy: -64.744
flat angles C4'-P-C4' energy: -66.718
flat angles P-C4'-P energy: -45.009
tors. eta vs tors. theta energy: -70.816
Dist. restrs. and SS energy: 0.000 (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: 237
Temperature: 0.950000
Total energy: -1042.559737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.559737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.559737 (E_RNA)
where:
Base-Base interactions energy: -739.277
where: short stacking energy: -323.377
Base-Backbone interact. energy: -1.507
local terms energy: -301.775238
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -53.814
flat angles C4'-P-C4' energy: -67.807
flat angles P-C4'-P energy: -40.277
tors. eta vs tors. theta energy: -92.068
Dist. restrs. and SS energy: 0.000 (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: 237
Temperature: 1.000000
Total energy: -972.942776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.942776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.942776 (E_RNA)
where:
Base-Base interactions energy: -654.658
where: short stacking energy: -273.975
Base-Backbone interact. energy: 1.583
local terms energy: -319.868013
where:
bonds (distance) C4'-P energy: -63.291
bonds (distance) P-C4' energy: -64.228
flat angles C4'-P-C4' energy: -67.620
flat angles P-C4'-P energy: -47.922
tors. eta vs tors. theta energy: -76.807
Dist. restrs. and SS energy: 0.000 (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: 237
Temperature: 1.050000
Total energy: -977.021277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.021277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.021277 (E_RNA)
where:
Base-Base interactions energy: -664.095
where: short stacking energy: -284.106
Base-Backbone interact. energy: -0.235
local terms energy: -312.691606
where:
bonds (distance) C4'-P energy: -60.024
bonds (distance) P-C4' energy: -65.127
flat angles C4'-P-C4' energy: -62.378
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -82.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -886.157709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.157709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.157709 (E_RNA)
where:
Base-Base interactions energy: -609.719
where: short stacking energy: -269.463
Base-Backbone interact. energy: -0.463
local terms energy: -275.975134
where:
bonds (distance) C4'-P energy: -51.528
bonds (distance) P-C4' energy: -65.360
flat angles C4'-P-C4' energy: -52.212
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -74.147
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: 6, replica: 4
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -801.673737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.673737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.673737 (E_RNA)
where:
Base-Base interactions energy: -534.938
where: short stacking energy: -246.714
Base-Backbone interact. energy: 0.158
local terms energy: -266.894336
where:
bonds (distance) C4'-P energy: -57.889
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -65.403
flat angles P-C4'-P energy: -33.943
tors. eta vs tors. theta energy: -60.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -735.103529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.103529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.103529 (E_RNA)
where:
Base-Base interactions energy: -472.997
where: short stacking energy: -212.693
Base-Backbone interact. energy: 0.755
local terms energy: -262.861589
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -63.302
flat angles C4'-P-C4' energy: -59.807
flat angles P-C4'-P energy: -36.055
tors. eta vs tors. theta energy: -52.986
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: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -606.714057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.714057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.714057 (E_RNA)
where:
Base-Base interactions energy: -408.752
where: short stacking energy: -169.574
Base-Backbone interact. energy: 2.109
local terms energy: -200.071292
where:
bonds (distance) C4'-P energy: -44.683
bonds (distance) P-C4' energy: -55.429
flat angles C4'-P-C4' energy: -39.720
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -28.405
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: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -441.524831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.524831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.524831 (E_RNA)
where:
Base-Base interactions energy: -265.972
where: short stacking energy: -127.957
Base-Backbone interact. energy: 7.094
local terms energy: -182.646737
where:
bonds (distance) C4'-P energy: -39.823
bonds (distance) P-C4' energy: -46.088
flat angles C4'-P-C4' energy: -46.573
flat angles P-C4'-P energy: -41.378
tors. eta vs tors. theta energy: -8.785
Dist. restrs. and SS energy: 0.000 (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: 237
Temperature: 1.350000
Total energy: -448.740570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.740570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.740570 (E_RNA)
where:
Base-Base interactions energy: -269.445
where: short stacking energy: -127.802
Base-Backbone interact. energy: 3.118
local terms energy: -182.412664
where:
bonds (distance) C4'-P energy: -46.798
bonds (distance) P-C4' energy: -48.501
flat angles C4'-P-C4' energy: -42.559
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -12.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1047.864432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.864432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.864432 (E_RNA)
where:
Base-Base interactions energy: -724.844
where: short stacking energy: -283.295
Base-Backbone interact. energy: -2.052
local terms energy: -320.969056
where:
bonds (distance) C4'-P energy: -67.130
bonds (distance) P-C4' energy: -59.960
flat angles C4'-P-C4' energy: -69.022
flat angles P-C4'-P energy: -53.073
tors. eta vs tors. theta energy: -71.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1049.240474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.240474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.240474 (E_RNA)
where:
Base-Base interactions energy: -729.585
where: short stacking energy: -319.991
Base-Backbone interact. energy: -0.371
local terms energy: -319.283701
where:
bonds (distance) C4'-P energy: -49.539
bonds (distance) P-C4' energy: -53.489
flat angles C4'-P-C4' energy: -69.120
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -95.544
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: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -995.352472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.352472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.352472 (E_RNA)
where:
Base-Base interactions energy: -682.458
where: short stacking energy: -292.894
Base-Backbone interact. energy: -0.316
local terms energy: -312.577914
where:
bonds (distance) C4'-P energy: -56.028
bonds (distance) P-C4' energy: -54.253
flat angles C4'-P-C4' energy: -66.693
flat angles P-C4'-P energy: -50.161
tors. eta vs tors. theta energy: -85.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -953.845847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.845847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.845847 (E_RNA)
where:
Base-Base interactions energy: -666.982
where: short stacking energy: -297.163
Base-Backbone interact. energy: 0.612
local terms energy: -287.475741
where:
bonds (distance) C4'-P energy: -49.340
bonds (distance) P-C4' energy: -62.430
flat angles C4'-P-C4' energy: -66.497
flat angles P-C4'-P energy: -33.700
tors. eta vs tors. theta energy: -75.510
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: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -886.070688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.070688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.070688 (E_RNA)
where:
Base-Base interactions energy: -576.085
where: short stacking energy: -253.213
Base-Backbone interact. energy: -0.879
local terms energy: -309.107307
where:
bonds (distance) C4'-P energy: -56.116
bonds (distance) P-C4' energy: -64.889
flat angles C4'-P-C4' energy: -71.452
flat angles P-C4'-P energy: -38.842
tors. eta vs tors. theta energy: -77.808
Dist. restrs. and SS energy: 0.000 (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: 238
Temperature: 1.150000
Total energy: -804.310724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.310724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.310724 (E_RNA)
where:
Base-Base interactions energy: -529.972
where: short stacking energy: -237.004
Base-Backbone interact. energy: 0.426
local terms energy: -274.764235
where:
bonds (distance) C4'-P energy: -47.899
bonds (distance) P-C4' energy: -56.168
flat angles C4'-P-C4' energy: -59.451
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -71.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -729.749378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.749378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.749378 (E_RNA)
where:
Base-Base interactions energy: -506.583
where: short stacking energy: -241.333
Base-Backbone interact. energy: 2.648
local terms energy: -225.814648
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -44.457
flat angles C4'-P-C4' energy: -37.335
flat angles P-C4'-P energy: -36.893
tors. eta vs tors. theta energy: -60.864
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: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -544.505506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.505506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.505506 (E_RNA)
where:
Base-Base interactions energy: -360.512
where: short stacking energy: -146.540
Base-Backbone interact. energy: -0.750
local terms energy: -183.243691
where:
bonds (distance) C4'-P energy: -49.546
bonds (distance) P-C4' energy: -40.836
flat angles C4'-P-C4' energy: -37.088
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: -16.112
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: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -485.420332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.420332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.420332 (E_RNA)
where:
Base-Base interactions energy: -264.152
where: short stacking energy: -119.719
Base-Backbone interact. energy: 0.577
local terms energy: -221.845388
where:
bonds (distance) C4'-P energy: -57.326
bonds (distance) P-C4' energy: -62.223
flat angles C4'-P-C4' energy: -55.224
flat angles P-C4'-P energy: -25.138
tors. eta vs tors. theta energy: -21.934
Dist. restrs. and SS energy: 0.000 (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: 238
Temperature: 1.350000
Total energy: -443.431730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.431730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.431730 (E_RNA)
where:
Base-Base interactions energy: -254.381
where: short stacking energy: -122.363
Base-Backbone interact. energy: -1.011
local terms energy: -188.040067
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -38.156
flat angles C4'-P-C4' energy: -52.557
flat angles P-C4'-P energy: -41.507
tors. eta vs tors. theta energy: -3.719
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: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1060.120902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.120902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.120902 (E_RNA)
where:
Base-Base interactions energy: -741.024
where: short stacking energy: -304.298
Base-Backbone interact. energy: -1.603
local terms energy: -317.494005
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -66.116
flat angles C4'-P-C4' energy: -68.166
flat angles P-C4'-P energy: -44.031
tors. eta vs tors. theta energy: -78.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1043.531946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.531946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.531946 (E_RNA)
where:
Base-Base interactions energy: -722.715
where: short stacking energy: -327.318
Base-Backbone interact. energy: 0.274
local terms energy: -321.091407
where:
bonds (distance) C4'-P energy: -64.831
bonds (distance) P-C4' energy: -53.625
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -95.356
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: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1001.181225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.181225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.181225 (E_RNA)
where:
Base-Base interactions energy: -674.094
where: short stacking energy: -299.275
Base-Backbone interact. energy: -0.082
local terms energy: -327.005447
where:
bonds (distance) C4'-P energy: -64.702
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -67.745
flat angles P-C4'-P energy: -46.171
tors. eta vs tors. theta energy: -88.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -918.858681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.858681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.858681 (E_RNA)
where:
Base-Base interactions energy: -635.187
where: short stacking energy: -274.863
Base-Backbone interact. energy: -0.346
local terms energy: -283.325435
where:
bonds (distance) C4'-P energy: -53.855
bonds (distance) P-C4' energy: -63.870
flat angles C4'-P-C4' energy: -64.325
flat angles P-C4'-P energy: -36.052
tors. eta vs tors. theta energy: -65.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -874.501022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.501022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.501022 (E_RNA)
where:
Base-Base interactions energy: -585.773
where: short stacking energy: -270.633
Base-Backbone interact. energy: -0.922
local terms energy: -287.805505
where:
bonds (distance) C4'-P energy: -49.009
bonds (distance) P-C4' energy: -60.188
flat angles C4'-P-C4' energy: -65.607
flat angles P-C4'-P energy: -37.167
tors. eta vs tors. theta energy: -75.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -794.796281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.796281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.796281 (E_RNA)
where:
Base-Base interactions energy: -533.155
where: short stacking energy: -240.726
Base-Backbone interact. energy: -0.833
local terms energy: -260.808130
where:
bonds (distance) C4'-P energy: -49.862
bonds (distance) P-C4' energy: -47.147
flat angles C4'-P-C4' energy: -59.633
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -64.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -718.051149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.051149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.051149 (E_RNA)
where:
Base-Base interactions energy: -472.773
where: short stacking energy: -208.635
Base-Backbone interact. energy: -0.923
local terms energy: -244.355493
where:
bonds (distance) C4'-P energy: -61.388
bonds (distance) P-C4' energy: -35.979
flat angles C4'-P-C4' energy: -63.885
flat angles P-C4'-P energy: -26.456
tors. eta vs tors. theta energy: -56.648
Dist. restrs. and SS energy: 0.000 (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: 239
Temperature: 1.250000
Total energy: -548.684782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.684782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.684782 (E_RNA)
where:
Base-Base interactions energy: -354.684
where: short stacking energy: -146.015
Base-Backbone interact. energy: -0.959
local terms energy: -193.041043
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -29.956
flat angles C4'-P-C4' energy: -45.415
flat angles P-C4'-P energy: -38.062
tors. eta vs tors. theta energy: -30.339
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: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -513.184264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.184264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.184264 (E_RNA)
where:
Base-Base interactions energy: -307.088
where: short stacking energy: -155.856
Base-Backbone interact. energy: -0.380
local terms energy: -205.716210
where:
bonds (distance) C4'-P energy: -46.830
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -52.490
flat angles P-C4'-P energy: -31.396
tors. eta vs tors. theta energy: -20.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -474.419223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.419223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.419223 (E_RNA)
where:
Base-Base interactions energy: -297.210
where: short stacking energy: -153.091
Base-Backbone interact. energy: -0.091
local terms energy: -177.117853
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1060.672882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.672882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.672882 (E_RNA)
where:
Base-Base interactions energy: -724.126
where: short stacking energy: -326.506
Base-Backbone interact. energy: 0.192
local terms energy: -336.738364
where:
bonds (distance) C4'-P energy: -64.679
bonds (distance) P-C4' energy: -60.683
flat angles C4'-P-C4' energy: -69.457
flat angles P-C4'-P energy: -45.023
tors. eta vs tors. theta energy: -96.896
Dist. restrs. and SS energy: 0.000 (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: 240
Temperature: 0.950000
Total energy: -1021.860076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.860076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.860076 (E_RNA)
where:
Base-Base interactions energy: -716.056
where: short stacking energy: -268.786
Base-Backbone interact. energy: -2.653
local terms energy: -303.150860
where:
bonds (distance) C4'-P energy: -60.285
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -64.795
flat angles P-C4'-P energy: -44.051
tors. eta vs tors. theta energy: -74.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -949.237995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.237995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.237995 (E_RNA)
where:
Base-Base interactions energy: -651.800
where: short stacking energy: -275.874
Base-Backbone interact. energy: -1.152
local terms energy: -296.286120
where:
bonds (distance) C4'-P energy: -63.418
bonds (distance) P-C4' energy: -57.923
flat angles C4'-P-C4' energy: -61.416
flat angles P-C4'-P energy: -34.763
tors. eta vs tors. theta energy: -78.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -990.885520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.885520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.885520 (E_RNA)
where:
Base-Base interactions energy: -701.449
where: short stacking energy: -291.800
Base-Backbone interact. energy: -0.583
local terms energy: -288.853562
where:
bonds (distance) C4'-P energy: -62.628
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -60.154
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -80.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -877.418630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.418630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.418630 (E_RNA)
where:
Base-Base interactions energy: -594.365
where: short stacking energy: -257.922
Base-Backbone interact. energy: 2.190
local terms energy: -285.244128
where:
bonds (distance) C4'-P energy: -53.765
bonds (distance) P-C4' energy: -58.737
flat angles C4'-P-C4' energy: -64.820
flat angles P-C4'-P energy: -41.915
tors. eta vs tors. theta energy: -66.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -814.020957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.020957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.020957 (E_RNA)
where:
Base-Base interactions energy: -550.053
where: short stacking energy: -242.726
Base-Backbone interact. energy: -1.695
local terms energy: -262.272995
where:
bonds (distance) C4'-P energy: -51.023
bonds (distance) P-C4' energy: -47.125
flat angles C4'-P-C4' energy: -60.982
flat angles P-C4'-P energy: -37.684
tors. eta vs tors. theta energy: -65.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -717.959450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.959450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.959450 (E_RNA)
where:
Base-Base interactions energy: -467.643
where: short stacking energy: -224.488
Base-Backbone interact. energy: -1.241
local terms energy: -249.075785
where:
bonds (distance) C4'-P energy: -35.070
bonds (distance) P-C4' energy: -55.904
flat angles C4'-P-C4' energy: -65.617
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -56.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -589.629137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.629137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.629137 (E_RNA)
where:
Base-Base interactions energy: -369.280
where: short stacking energy: -170.561
Base-Backbone interact. energy: -0.555
local terms energy: -219.794801
where:
bonds (distance) C4'-P energy: -53.362
bonds (distance) P-C4' energy: -56.792
flat angles C4'-P-C4' energy: -56.144
flat angles P-C4'-P energy: -26.453
tors. eta vs tors. theta energy: -27.044
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: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -479.486185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.486185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.486185 (E_RNA)
where:
Base-Base interactions energy: -276.214
where: short stacking energy: -131.531
Base-Backbone interact. energy: -1.867
local terms energy: -201.405739
where:
bonds (distance) C4'-P energy: -47.777
bonds (distance) P-C4' energy: -56.151
flat angles C4'-P-C4' energy: -52.785
flat angles P-C4'-P energy: -26.300
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: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -473.713639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.713639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.713639 (E_RNA)
where:
Base-Base interactions energy: -281.614
where: short stacking energy: -135.751
Base-Backbone interact. energy: -1.234
local terms energy: -190.865437
where:
bonds (distance) C4'-P energy: -44.791
bonds (distance) P-C4' energy: -44.527
flat angles C4'-P-C4' energy: -48.465
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1060.393088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.393088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.393088 (E_RNA)
where:
Base-Base interactions energy: -720.115
where: short stacking energy: -304.710
Base-Backbone interact. energy: 1.151
local terms energy: -341.429582
where:
bonds (distance) C4'-P energy: -63.417
bonds (distance) P-C4' energy: -67.728
flat angles C4'-P-C4' energy: -71.712
flat angles P-C4'-P energy: -47.704
tors. eta vs tors. theta energy: -90.868
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: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1049.719230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.719230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.719230 (E_RNA)
where:
Base-Base interactions energy: -735.150
where: short stacking energy: -283.224
Base-Backbone interact. energy: -1.609
local terms energy: -312.960155
where:
bonds (distance) C4'-P energy: -61.314
bonds (distance) P-C4' energy: -55.567
flat angles C4'-P-C4' energy: -67.942
flat angles P-C4'-P energy: -45.323
tors. eta vs tors. theta energy: -82.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -949.604518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.604518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.604518 (E_RNA)
where:
Base-Base interactions energy: -652.454
where: short stacking energy: -290.658
Base-Backbone interact. energy: -0.963
local terms energy: -296.186954
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -50.013
flat angles C4'-P-C4' energy: -65.326
flat angles P-C4'-P energy: -50.144
tors. eta vs tors. theta energy: -76.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -973.178220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.178220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.178220 (E_RNA)
where:
Base-Base interactions energy: -665.322
where: short stacking energy: -286.896
Base-Backbone interact. energy: -0.135
local terms energy: -307.721428
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -62.035
flat angles C4'-P-C4' energy: -65.698
flat angles P-C4'-P energy: -44.508
tors. eta vs tors. theta energy: -90.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -907.267524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.267524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.267524 (E_RNA)
where:
Base-Base interactions energy: -620.476
where: short stacking energy: -261.492
Base-Backbone interact. energy: -1.733
local terms energy: -285.059229
where:
bonds (distance) C4'-P energy: -64.052
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -65.119
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -77.031
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: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -749.617701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.617701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.617701 (E_RNA)
where:
Base-Base interactions energy: -491.579
where: short stacking energy: -225.755
Base-Backbone interact. energy: 0.942
local terms energy: -258.980914
where:
bonds (distance) C4'-P energy: -51.514
bonds (distance) P-C4' energy: -60.316
flat angles C4'-P-C4' energy: -60.742
flat angles P-C4'-P energy: -32.709
tors. eta vs tors. theta energy: -53.699
Dist. restrs. and SS energy: 0.000 (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: 241
Temperature: 1.200000
Total energy: -750.581856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.581856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.581856 (E_RNA)
where:
Base-Base interactions energy: -478.589
where: short stacking energy: -204.840
Base-Backbone interact. energy: -0.608
local terms energy: -271.385198
where:
bonds (distance) C4'-P energy: -64.151
bonds (distance) P-C4' energy: -61.697
flat angles C4'-P-C4' energy: -57.743
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -54.672
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: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -595.991155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.991155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.991155 (E_RNA)
where:
Base-Base interactions energy: -382.659
where: short stacking energy: -158.903
Base-Backbone interact. energy: -1.609
local terms energy: -211.723235
where:
bonds (distance) C4'-P energy: -47.902
bonds (distance) P-C4' energy: -48.733
flat angles C4'-P-C4' energy: -53.236
flat angles P-C4'-P energy: -35.130
tors. eta vs tors. theta energy: -26.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -509.148007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.148007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.148007 (E_RNA)
where:
Base-Base interactions energy: -301.683
where: short stacking energy: -152.066
Base-Backbone interact. energy: -1.843
local terms energy: -205.622787
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -45.786
flat angles C4'-P-C4' energy: -50.631
flat angles P-C4'-P energy: -39.615
tors. eta vs tors. theta energy: -26.773
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: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -494.580922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.580922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.580922 (E_RNA)
where:
Base-Base interactions energy: -296.998
where: short stacking energy: -141.741
Base-Backbone interact. energy: 0.286
local terms energy: -197.869430
where:
bonds (distance) C4'-P energy: -50.296
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -47.646
flat angles P-C4'-P energy: -41.816
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: 0.000 (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: 242
Temperature: 0.900000
Total energy: -1069.270124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.270124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.270124 (E_RNA)
where:
Base-Base interactions energy: -751.387
where: short stacking energy: -296.434
Base-Backbone interact. energy: -2.186
local terms energy: -315.697664
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -63.017
flat angles C4'-P-C4' energy: -66.851
flat angles P-C4'-P energy: -48.029
tors. eta vs tors. theta energy: -84.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1041.893488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.893488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.893488 (E_RNA)
where:
Base-Base interactions energy: -706.890
where: short stacking energy: -309.838
Base-Backbone interact. energy: -0.582
local terms energy: -334.421303
where:
bonds (distance) C4'-P energy: -58.332
bonds (distance) P-C4' energy: -66.011
flat angles C4'-P-C4' energy: -69.492
flat angles P-C4'-P energy: -47.020
tors. eta vs tors. theta energy: -93.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -983.556561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.556561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.556561 (E_RNA)
where:
Base-Base interactions energy: -672.247
where: short stacking energy: -291.421
Base-Backbone interact. energy: -1.312
local terms energy: -309.997731
where:
bonds (distance) C4'-P energy: -56.700
bonds (distance) P-C4' energy: -57.549
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -84.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -918.568378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.568378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.568378 (E_RNA)
where:
Base-Base interactions energy: -622.600
where: short stacking energy: -269.586
Base-Backbone interact. energy: 1.138
local terms energy: -297.106192
where:
bonds (distance) C4'-P energy: -56.392
bonds (distance) P-C4' energy: -54.663
flat angles C4'-P-C4' energy: -64.855
flat angles P-C4'-P energy: -41.193
tors. eta vs tors. theta energy: -80.003
Dist. restrs. and SS energy: 0.000 (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: 242
Temperature: 1.100000
Total energy: -920.782004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.782004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.782004 (E_RNA)
where:
Base-Base interactions energy: -624.953
where: short stacking energy: -264.816
Base-Backbone interact. energy: -0.022
local terms energy: -295.806418
where:
bonds (distance) C4'-P energy: -63.076
bonds (distance) P-C4' energy: -52.229
flat angles C4'-P-C4' energy: -58.439
flat angles P-C4'-P energy: -41.268
tors. eta vs tors. theta energy: -80.795
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: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -793.195759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.195759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.195759 (E_RNA)
where:
Base-Base interactions energy: -528.960
where: short stacking energy: -235.758
Base-Backbone interact. energy: -1.706
local terms energy: -262.529539
where:
bonds (distance) C4'-P energy: -43.883
bonds (distance) P-C4' energy: -58.928
flat angles C4'-P-C4' energy: -62.579
flat angles P-C4'-P energy: -43.306
tors. eta vs tors. theta energy: -53.834
Dist. restrs. and SS energy: 0.000 (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: 242
Temperature: 1.200000
Total energy: -710.968595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.968595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.968595 (E_RNA)
where:
Base-Base interactions energy: -476.705
where: short stacking energy: -206.145
Base-Backbone interact. energy: -1.688
local terms energy: -232.575744
where:
bonds (distance) C4'-P energy: -47.647
bonds (distance) P-C4' energy: -54.822
flat angles C4'-P-C4' energy: -46.785
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -48.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -617.048620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.048620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.048620 (E_RNA)
where:
Base-Base interactions energy: -410.428
where: short stacking energy: -183.519
Base-Backbone interact. energy: -0.316
local terms energy: -206.304328
where:
bonds (distance) C4'-P energy: -42.216
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -48.256
flat angles P-C4'-P energy: -33.646
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (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: 242
Temperature: 1.300000
Total energy: -509.325774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.325774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.325774 (E_RNA)
where:
Base-Base interactions energy: -333.960
where: short stacking energy: -160.367
Base-Backbone interact. energy: 1.651
local terms energy: -177.016452
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -40.886
flat angles C4'-P-C4' energy: -58.065
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -616.449078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.449078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.449078 (E_RNA)
where:
Base-Base interactions energy: -398.224
where: short stacking energy: -165.554
Base-Backbone interact. energy: -0.203
local terms energy: -218.022672
where:
bonds (distance) C4'-P energy: -45.165
bonds (distance) P-C4' energy: -56.799
flat angles C4'-P-C4' energy: -52.031
flat angles P-C4'-P energy: -36.500
tors. eta vs tors. theta energy: -27.527
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: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1066.109516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.109516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.109516 (E_RNA)
where:
Base-Base interactions energy: -748.150
where: short stacking energy: -297.217
Base-Backbone interact. energy: 0.002
local terms energy: -317.961526
where:
bonds (distance) C4'-P energy: -52.344
bonds (distance) P-C4' energy: -63.844
flat angles C4'-P-C4' energy: -67.066
flat angles P-C4'-P energy: -52.219
tors. eta vs tors. theta energy: -82.489
Dist. restrs. and SS energy: 0.000 (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: 243
Temperature: 0.950000
Total energy: -1033.712132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.712132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.712132 (E_RNA)
where:
Base-Base interactions energy: -707.125
where: short stacking energy: -311.844
Base-Backbone interact. energy: -0.377
local terms energy: -326.209642
where:
bonds (distance) C4'-P energy: -60.333
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -76.520
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: -88.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -993.763347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.763347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.763347 (E_RNA)
where:
Base-Base interactions energy: -669.378
where: short stacking energy: -307.835
Base-Backbone interact. energy: -0.156
local terms energy: -324.229630
where:
bonds (distance) C4'-P energy: -64.667
bonds (distance) P-C4' energy: -59.603
flat angles C4'-P-C4' energy: -58.488
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -92.102
Dist. restrs. and SS energy: 0.000 (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: 243
Temperature: 1.050000
Total energy: -943.198657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.198657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.198657 (E_RNA)
where:
Base-Base interactions energy: -642.261
where: short stacking energy: -281.381
Base-Backbone interact. energy: -2.557
local terms energy: -298.381354
where:
bonds (distance) C4'-P energy: -57.675
bonds (distance) P-C4' energy: -61.289
flat angles C4'-P-C4' energy: -57.076
flat angles P-C4'-P energy: -31.933
tors. eta vs tors. theta energy: -90.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -875.963968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.963968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.963968 (E_RNA)
where:
Base-Base interactions energy: -585.932
where: short stacking energy: -252.006
Base-Backbone interact. energy: -1.731
local terms energy: -288.301037
where:
bonds (distance) C4'-P energy: -51.327
bonds (distance) P-C4' energy: -70.115
flat angles C4'-P-C4' energy: -53.480
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -73.326
Dist. restrs. and SS energy: 0.000 (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: 243
Temperature: 1.150000
Total energy: -749.749676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.749676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.749676 (E_RNA)
where:
Base-Base interactions energy: -502.262
where: short stacking energy: -221.973
Base-Backbone interact. energy: -0.076
local terms energy: -247.411559
where:
bonds (distance) C4'-P energy: -54.436
bonds (distance) P-C4' energy: -58.898
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -32.646
tors. eta vs tors. theta energy: -50.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -696.257331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.257331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.257331 (E_RNA)
where:
Base-Base interactions energy: -444.366
where: short stacking energy: -199.576
Base-Backbone interact. energy: -2.695
local terms energy: -249.196323
where:
bonds (distance) C4'-P energy: -55.373
bonds (distance) P-C4' energy: -63.712
flat angles C4'-P-C4' energy: -54.858
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: -48.025
Dist. restrs. and SS energy: 0.000 (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: 243
Temperature: 1.250000
Total energy: -601.416714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.416714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.416714 (E_RNA)
where:
Base-Base interactions energy: -396.039
where: short stacking energy: -156.410
Base-Backbone interact. energy: 4.808
local terms energy: -210.185362
where:
bonds (distance) C4'-P energy: -50.530
bonds (distance) P-C4' energy: -59.925
flat angles C4'-P-C4' energy: -40.862
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: -28.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -501.047752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.047752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.047752 (E_RNA)
where:
Base-Base interactions energy: -293.919
where: short stacking energy: -156.848
Base-Backbone interact. energy: -0.233
local terms energy: -206.896191
where:
bonds (distance) C4'-P energy: -51.876
bonds (distance) P-C4' energy: -53.937
flat angles C4'-P-C4' energy: -55.300
flat angles P-C4'-P energy: -23.448
tors. eta vs tors. theta energy: -22.336
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: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -637.066168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.066168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.066168 (E_RNA)
where:
Base-Base interactions energy: -423.326
where: short stacking energy: -184.604
Base-Backbone interact. energy: 0.602
local terms energy: -214.342311
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -54.097
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -42.861
Dist. restrs. and SS energy: 0.000 (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: 244
Temperature: 0.900000
Total energy: -1062.018313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.018313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.018313 (E_RNA)
where:
Base-Base interactions energy: -733.900
where: short stacking energy: -339.716
Base-Backbone interact. energy: -0.655
local terms energy: -327.462590
where:
bonds (distance) C4'-P energy: -54.613
bonds (distance) P-C4' energy: -57.896
flat angles C4'-P-C4' energy: -66.480
flat angles P-C4'-P energy: -43.530
tors. eta vs tors. theta energy: -104.943
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: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1048.748270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.748270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.748270 (E_RNA)
where:
Base-Base interactions energy: -742.941
where: short stacking energy: -289.889
Base-Backbone interact. energy: -1.144
local terms energy: -304.663071
where:
bonds (distance) C4'-P energy: -61.352
bonds (distance) P-C4' energy: -55.564
flat angles C4'-P-C4' energy: -61.375
flat angles P-C4'-P energy: -44.245
tors. eta vs tors. theta energy: -82.126
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: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -994.618808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.618808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.618808 (E_RNA)
where:
Base-Base interactions energy: -685.788
where: short stacking energy: -303.315
Base-Backbone interact. energy: -0.772
local terms energy: -308.058917
where:
bonds (distance) C4'-P energy: -53.451
bonds (distance) P-C4' energy: -60.269
flat angles C4'-P-C4' energy: -64.576
flat angles P-C4'-P energy: -40.984
tors. eta vs tors. theta energy: -88.778
Dist. restrs. and SS energy: 0.000 (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: 244
Temperature: 1.050000
Total energy: -928.478354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.478354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.478354 (E_RNA)
where:
Base-Base interactions energy: -642.071
where: short stacking energy: -287.083
Base-Backbone interact. energy: -3.185
local terms energy: -283.221531
where:
bonds (distance) C4'-P energy: -46.911
bonds (distance) P-C4' energy: -50.936
flat angles C4'-P-C4' energy: -63.972
flat angles P-C4'-P energy: -40.855
tors. eta vs tors. theta energy: -80.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -908.144555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.144555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.144555 (E_RNA)
where:
Base-Base interactions energy: -615.380
where: short stacking energy: -265.077
Base-Backbone interact. energy: -0.414
local terms energy: -292.349943
where:
bonds (distance) C4'-P energy: -41.511
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -68.006
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -72.750
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: 6, replica: 4
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -756.015661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.015661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.015661 (E_RNA)
where:
Base-Base interactions energy: -500.262
where: short stacking energy: -242.016
Base-Backbone interact. energy: -0.391
local terms energy: -255.361852
where:
bonds (distance) C4'-P energy: -51.691
bonds (distance) P-C4' energy: -49.956
flat angles C4'-P-C4' energy: -57.682
flat angles P-C4'-P energy: -30.008
tors. eta vs tors. theta energy: -66.024
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: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -689.117660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.117660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.117660 (E_RNA)
where:
Base-Base interactions energy: -460.201
where: short stacking energy: -208.913
Base-Backbone interact. energy: -1.100
local terms energy: -227.816070
where:
bonds (distance) C4'-P energy: -41.119
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -50.153
flat angles P-C4'-P energy: -36.257
tors. eta vs tors. theta energy: -47.318
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: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -611.579416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.579416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.579416 (E_RNA)
where:
Base-Base interactions energy: -413.153
where: short stacking energy: -189.011
Base-Backbone interact. energy: -1.152
local terms energy: -197.273965
where:
bonds (distance) C4'-P energy: -41.337
bonds (distance) P-C4' energy: -37.361
flat angles C4'-P-C4' energy: -47.221
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -40.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -704.754915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.754915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.754915 (E_RNA)
where:
Base-Base interactions energy: -475.673
where: short stacking energy: -207.588
Base-Backbone interact. energy: -1.198
local terms energy: -227.883959
where:
bonds (distance) C4'-P energy: -39.833
bonds (distance) P-C4' energy: -52.152
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -37.470
tors. eta vs tors. theta energy: -40.777
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: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -464.118351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.118351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.118351 (E_RNA)
where:
Base-Base interactions energy: -269.314
where: short stacking energy: -138.386
Base-Backbone interact. energy: -0.610
local terms energy: -194.195076
where:
bonds (distance) C4'-P energy: -62.243
bonds (distance) P-C4' energy: -51.176
flat angles C4'-P-C4' energy: -46.401
flat angles P-C4'-P energy: -22.963
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (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: 245
Temperature: 0.900000
Total energy: -1069.920285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.920285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.920285 (E_RNA)
where:
Base-Base interactions energy: -728.161
where: short stacking energy: -330.227
Base-Backbone interact. energy: -0.115
local terms energy: -341.644488
where:
bonds (distance) C4'-P energy: -63.619
bonds (distance) P-C4' energy: -55.544
flat angles C4'-P-C4' energy: -75.145
flat angles P-C4'-P energy: -43.924
tors. eta vs tors. theta energy: -103.412
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: 2, replica: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1036.989576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.989576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.989576 (E_RNA)
where:
Base-Base interactions energy: -741.016
where: short stacking energy: -294.694
Base-Backbone interact. energy: 1.023
local terms energy: -296.997212
where:
bonds (distance) C4'-P energy: -56.766
bonds (distance) P-C4' energy: -57.976
flat angles C4'-P-C4' energy: -63.168
flat angles P-C4'-P energy: -34.542
tors. eta vs tors. theta energy: -84.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1010.585843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.585843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.585843 (E_RNA)
where:
Base-Base interactions energy: -712.044
where: short stacking energy: -299.237
Base-Backbone interact. energy: -2.009
local terms energy: -296.532812
where:
bonds (distance) C4'-P energy: -47.999
bonds (distance) P-C4' energy: -54.218
flat angles C4'-P-C4' energy: -67.272
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -88.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -949.743586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.743586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.743586 (E_RNA)
where:
Base-Base interactions energy: -647.396
where: short stacking energy: -292.229
Base-Backbone interact. energy: -2.293
local terms energy: -300.054475
where:
bonds (distance) C4'-P energy: -53.546
bonds (distance) P-C4' energy: -57.946
flat angles C4'-P-C4' energy: -58.647
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -86.852
Dist. restrs. and SS energy: 0.000 (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: 245
Temperature: 1.100000
Total energy: -895.379946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.379946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.379946 (E_RNA)
where:
Base-Base interactions energy: -615.830
where: short stacking energy: -278.801
Base-Backbone interact. energy: -0.165
local terms energy: -279.384410
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -54.095
flat angles C4'-P-C4' energy: -54.592
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -79.604
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: 6, replica: 4
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -737.101967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.101967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.101967 (E_RNA)
where:
Base-Base interactions energy: -471.201
where: short stacking energy: -218.366
Base-Backbone interact. energy: -0.878
local terms energy: -265.022698
where:
bonds (distance) C4'-P energy: -49.548
bonds (distance) P-C4' energy: -63.546
flat angles C4'-P-C4' energy: -60.374
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -48.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -665.001146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.001146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.001146 (E_RNA)
where:
Base-Base interactions energy: -430.814
where: short stacking energy: -191.822
Base-Backbone interact. energy: 3.949
local terms energy: -238.136949
where:
bonds (distance) C4'-P energy: -53.696
bonds (distance) P-C4' energy: -45.782
flat angles C4'-P-C4' energy: -50.959
flat angles P-C4'-P energy: -45.114
tors. eta vs tors. theta energy: -42.587
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: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -723.439838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.439838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.439838 (E_RNA)
where:
Base-Base interactions energy: -483.459
where: short stacking energy: -225.990
Base-Backbone interact. energy: -0.045
local terms energy: -239.935442
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -47.023
flat angles C4'-P-C4' energy: -60.084
flat angles P-C4'-P energy: -29.928
tors. eta vs tors. theta energy: -46.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -609.965805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.965805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.965805 (E_RNA)
where:
Base-Base interactions energy: -378.479
where: short stacking energy: -167.893
Base-Backbone interact. energy: 0.171
local terms energy: -231.657569
where:
bonds (distance) C4'-P energy: -51.355
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -67.189
flat angles P-C4'-P energy: -22.358
tors. eta vs tors. theta energy: -41.486
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: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -495.682979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.682979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.682979 (E_RNA)
where:
Base-Base interactions energy: -308.591
where: short stacking energy: -151.180
Base-Backbone interact. energy: 3.416
local terms energy: -190.508400
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -53.007
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (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: 246
Temperature: 0.900000
Total energy: -1071.309470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.309470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.309470 (E_RNA)
where:
Base-Base interactions energy: -727.358
where: short stacking energy: -340.298
Base-Backbone interact. energy: -2.547
local terms energy: -341.404723
where:
bonds (distance) C4'-P energy: -65.239
bonds (distance) P-C4' energy: -61.924
flat angles C4'-P-C4' energy: -75.872
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -98.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1018.153202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.153202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.153202 (E_RNA)
where:
Base-Base interactions energy: -703.375
where: short stacking energy: -284.437
Base-Backbone interact. energy: -0.857
local terms energy: -313.920960
where:
bonds (distance) C4'-P energy: -62.011
bonds (distance) P-C4' energy: -65.989
flat angles C4'-P-C4' energy: -64.851
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -77.064
Dist. restrs. and SS energy: 0.000 (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: 246
Temperature: 1.000000
Total energy: -972.401913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.401913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.401913 (E_RNA)
where:
Base-Base interactions energy: -664.629
where: short stacking energy: -304.947
Base-Backbone interact. energy: -1.085
local terms energy: -306.687984
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -55.796
flat angles C4'-P-C4' energy: -59.671
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: -90.062
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: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -996.357045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.357045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.357045 (E_RNA)
where:
Base-Base interactions energy: -684.418
where: short stacking energy: -298.941
Base-Backbone interact. energy: -0.064
local terms energy: -311.875082
where:
bonds (distance) C4'-P energy: -55.188
bonds (distance) P-C4' energy: -64.280
flat angles C4'-P-C4' energy: -62.629
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -81.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -914.933037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.933037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.933037 (E_RNA)
where:
Base-Base interactions energy: -628.899
where: short stacking energy: -281.789
Base-Backbone interact. energy: -1.540
local terms energy: -284.493141
where:
bonds (distance) C4'-P energy: -57.769
bonds (distance) P-C4' energy: -43.075
flat angles C4'-P-C4' energy: -66.203
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -72.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -747.473518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.473518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.473518 (E_RNA)
where:
Base-Base interactions energy: -483.870
where: short stacking energy: -239.634
Base-Backbone interact. energy: 2.405
local terms energy: -266.008780
where:
bonds (distance) C4'-P energy: -50.741
bonds (distance) P-C4' energy: -64.999
flat angles C4'-P-C4' energy: -62.254
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: -51.940
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: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -732.256536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.256536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.256536 (E_RNA)
where:
Base-Base interactions energy: -494.407
where: short stacking energy: -214.735
Base-Backbone interact. energy: 0.331
local terms energy: -238.180846
where:
bonds (distance) C4'-P energy: -48.735
bonds (distance) P-C4' energy: -53.576
flat angles C4'-P-C4' energy: -46.956
flat angles P-C4'-P energy: -33.603
tors. eta vs tors. theta energy: -55.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -651.834236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.834236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.834236 (E_RNA)
where:
Base-Base interactions energy: -419.987
where: short stacking energy: -191.422
Base-Backbone interact. energy: 0.700
local terms energy: -232.547025
where:
bonds (distance) C4'-P energy: -54.602
bonds (distance) P-C4' energy: -43.018
flat angles C4'-P-C4' energy: -51.731
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: -41.960
Dist. restrs. and SS energy: 0.000 (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: 246
Temperature: 1.300000
Total energy: -569.909203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.909203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.909203 (E_RNA)
where:
Base-Base interactions energy: -355.502
where: short stacking energy: -171.114
Base-Backbone interact. energy: -0.379
local terms energy: -214.028382
where:
bonds (distance) C4'-P energy: -46.405
bonds (distance) P-C4' energy: -57.194
flat angles C4'-P-C4' energy: -49.479
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -31.420
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: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -480.021431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.021431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.021431 (E_RNA)
where:
Base-Base interactions energy: -285.315
where: short stacking energy: -143.803
Base-Backbone interact. energy: -3.100
local terms energy: -191.606392
where:
bonds (distance) C4'-P energy: -48.849
bonds (distance) P-C4' energy: -51.014
flat angles C4'-P-C4' energy: -35.827
flat angles P-C4'-P energy: -29.698
tors. eta vs tors. theta energy: -26.217
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: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1071.449535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.449535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.449535 (E_RNA)
where:
Base-Base interactions energy: -751.702
where: short stacking energy: -334.222
Base-Backbone interact. energy: -1.236
local terms energy: -318.511280
where:
bonds (distance) C4'-P energy: -59.847
bonds (distance) P-C4' energy: -57.360
flat angles C4'-P-C4' energy: -68.656
flat angles P-C4'-P energy: -38.273
tors. eta vs tors. theta energy: -94.376
Dist. restrs. and SS energy: 0.000 (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: 247
Temperature: 0.950000
Total energy: -1015.281653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.281653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.281653 (E_RNA)
where:
Base-Base interactions energy: -711.671
where: short stacking energy: -282.258
Base-Backbone interact. energy: -2.216
local terms energy: -301.394810
where:
bonds (distance) C4'-P energy: -58.568
bonds (distance) P-C4' energy: -61.151
flat angles C4'-P-C4' energy: -59.380
flat angles P-C4'-P energy: -47.000
tors. eta vs tors. theta energy: -75.296
Dist. restrs. and SS energy: 0.000 (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: 247
Temperature: 1.000000
Total energy: -984.685646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.685646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.685646 (E_RNA)
where:
Base-Base interactions energy: -673.267
where: short stacking energy: -303.249
Base-Backbone interact. energy: -2.009
local terms energy: -309.409615
where:
bonds (distance) C4'-P energy: -48.845
bonds (distance) P-C4' energy: -63.645
flat angles C4'-P-C4' energy: -65.902
flat angles P-C4'-P energy: -41.352
tors. eta vs tors. theta energy: -89.667
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: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -978.300571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.300571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.300571 (E_RNA)
where:
Base-Base interactions energy: -670.920
where: short stacking energy: -293.879
Base-Backbone interact. energy: -1.459
local terms energy: -305.921755
where:
bonds (distance) C4'-P energy: -57.104
bonds (distance) P-C4' energy: -56.535
flat angles C4'-P-C4' energy: -62.325
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -84.230
Dist. restrs. and SS energy: 0.000 (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: 247
Temperature: 1.100000
Total energy: -909.453423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.453423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.453423 (E_RNA)
where:
Base-Base interactions energy: -609.525
where: short stacking energy: -274.461
Base-Backbone interact. energy: -1.173
local terms energy: -298.756288
where:
bonds (distance) C4'-P energy: -59.589
bonds (distance) P-C4' energy: -63.648
flat angles C4'-P-C4' energy: -60.745
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -72.914
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: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -778.203155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.203155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.203155 (E_RNA)
where:
Base-Base interactions energy: -514.883
where: short stacking energy: -233.186
Base-Backbone interact. energy: 0.259
local terms energy: -263.578636
where:
bonds (distance) C4'-P energy: -51.790
bonds (distance) P-C4' energy: -60.616
flat angles C4'-P-C4' energy: -58.452
flat angles P-C4'-P energy: -38.070
tors. eta vs tors. theta energy: -54.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -758.658788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.658788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.658788 (E_RNA)
where:
Base-Base interactions energy: -532.641
where: short stacking energy: -230.013
Base-Backbone interact. energy: -3.005
local terms energy: -223.012510
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -48.555
flat angles C4'-P-C4' energy: -45.466
flat angles P-C4'-P energy: -33.458
tors. eta vs tors. theta energy: -50.503
Dist. restrs. and SS energy: 0.000 (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: 247
Temperature: 1.250000
Total energy: -648.177421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.177421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.177421 (E_RNA)
where:
Base-Base interactions energy: -422.449
where: short stacking energy: -183.482
Base-Backbone interact. energy: -1.178
local terms energy: -224.550992
where:
bonds (distance) C4'-P energy: -50.832
bonds (distance) P-C4' energy: -41.460
flat angles C4'-P-C4' energy: -54.162
flat angles P-C4'-P energy: -36.971
tors. eta vs tors. theta energy: -41.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -564.078110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.078110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.078110 (E_RNA)
where:
Base-Base interactions energy: -355.745
where: short stacking energy: -165.827
Base-Backbone interact. energy: -0.269
local terms energy: -208.064207
where:
bonds (distance) C4'-P energy: -42.719
bonds (distance) P-C4' energy: -52.663
flat angles C4'-P-C4' energy: -52.133
flat angles P-C4'-P energy: -34.904
tors. eta vs tors. theta energy: -25.645
Dist. restrs. and SS energy: 0.000 (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: 247
Temperature: 1.350000
Total energy: -469.163789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.163789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.163789 (E_RNA)
where:
Base-Base interactions energy: -284.299
where: short stacking energy: -127.064
Base-Backbone interact. energy: -0.900
local terms energy: -183.965042
where:
bonds (distance) C4'-P energy: -43.324
bonds (distance) P-C4' energy: -51.621
flat angles C4'-P-C4' energy: -49.554
flat angles P-C4'-P energy: -27.975
tors. eta vs tors. theta energy: -11.490
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: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1065.338858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.338858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.338858 (E_RNA)
where:
Base-Base interactions energy: -727.560
where: short stacking energy: -332.307
Base-Backbone interact. energy: -0.438
local terms energy: -337.341329
where:
bonds (distance) C4'-P energy: -63.733
bonds (distance) P-C4' energy: -56.903
flat angles C4'-P-C4' energy: -68.330
flat angles P-C4'-P energy: -51.637
tors. eta vs tors. theta energy: -96.738
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: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1027.263579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.263579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.263579 (E_RNA)
where:
Base-Base interactions energy: -716.117
where: short stacking energy: -294.892
Base-Backbone interact. energy: 0.737
local terms energy: -311.883555
where:
bonds (distance) C4'-P energy: -52.671
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -68.145
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -85.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -991.309497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.309497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.309497 (E_RNA)
where:
Base-Base interactions energy: -687.049
where: short stacking energy: -298.498
Base-Backbone interact. energy: -0.473
local terms energy: -303.788427
where:
bonds (distance) C4'-P energy: -55.831
bonds (distance) P-C4' energy: -47.949
flat angles C4'-P-C4' energy: -65.511
flat angles P-C4'-P energy: -50.396
tors. eta vs tors. theta energy: -84.102
Dist. restrs. and SS energy: 0.000 (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: 248
Temperature: 1.050000
Total energy: -984.072792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.072792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.072792 (E_RNA)
where:
Base-Base interactions energy: -688.390
where: short stacking energy: -292.346
Base-Backbone interact. energy: 0.077
local terms energy: -295.760157
where:
bonds (distance) C4'-P energy: -54.463
bonds (distance) P-C4' energy: -64.298
flat angles C4'-P-C4' energy: -61.999
flat angles P-C4'-P energy: -36.544
tors. eta vs tors. theta energy: -78.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -914.691589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.691589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.691589 (E_RNA)
where:
Base-Base interactions energy: -620.547
where: short stacking energy: -275.858
Base-Backbone interact. energy: 0.633
local terms energy: -294.777606
where:
bonds (distance) C4'-P energy: -50.206
bonds (distance) P-C4' energy: -53.171
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: -79.247
Dist. restrs. and SS energy: 0.000 (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: 248
Temperature: 1.150000
Total energy: -796.344524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.344524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.344524 (E_RNA)
where:
Base-Base interactions energy: -521.082
where: short stacking energy: -230.673
Base-Backbone interact. energy: -0.082
local terms energy: -275.180017
where:
bonds (distance) C4'-P energy: -64.098
bonds (distance) P-C4' energy: -58.800
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -36.034
tors. eta vs tors. theta energy: -65.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -731.074884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.074884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.074884 (E_RNA)
where:
Base-Base interactions energy: -482.703
where: short stacking energy: -232.816
Base-Backbone interact. energy: 0.072
local terms energy: -248.443877
where:
bonds (distance) C4'-P energy: -54.266
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -52.519
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -58.713
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: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -612.168757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.168757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.168757 (E_RNA)
where:
Base-Base interactions energy: -375.770
where: short stacking energy: -181.030
Base-Backbone interact. energy: -0.398
local terms energy: -236.001275
where:
bonds (distance) C4'-P energy: -43.750
bonds (distance) P-C4' energy: -58.279
flat angles C4'-P-C4' energy: -57.407
flat angles P-C4'-P energy: -38.671
tors. eta vs tors. theta energy: -37.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -632.776563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.776563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.776563 (E_RNA)
where:
Base-Base interactions energy: -428.173
where: short stacking energy: -188.143
Base-Backbone interact. energy: -1.219
local terms energy: -203.384073
where:
bonds (distance) C4'-P energy: -40.696
bonds (distance) P-C4' energy: -47.587
flat angles C4'-P-C4' energy: -53.914
flat angles P-C4'-P energy: -29.573
tors. eta vs tors. theta energy: -31.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -469.167953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.167953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.167953 (E_RNA)
where:
Base-Base interactions energy: -282.643
where: short stacking energy: -136.578
Base-Backbone interact. energy: -1.030
local terms energy: -185.495598
where:
bonds (distance) C4'-P energy: -45.660
bonds (distance) P-C4' energy: -55.315
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -24.251
tors. eta vs tors. theta energy: -20.036
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: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1067.768532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.768532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.768532 (E_RNA)
where:
Base-Base interactions energy: -736.081
where: short stacking energy: -320.173
Base-Backbone interact. energy: -0.468
local terms energy: -331.219240
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -62.514
flat angles C4'-P-C4' energy: -68.698
flat angles P-C4'-P energy: -54.715
tors. eta vs tors. theta energy: -97.164
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: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1023.196006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.196006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.196006 (E_RNA)
where:
Base-Base interactions energy: -718.745
where: short stacking energy: -295.702
Base-Backbone interact. energy: -1.163
local terms energy: -303.287965
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -54.737
flat angles C4'-P-C4' energy: -72.430
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -86.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1017.656192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.656192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.656192 (E_RNA)
where:
Base-Base interactions energy: -695.031
where: short stacking energy: -308.856
Base-Backbone interact. energy: -2.015
local terms energy: -320.610606
where:
bonds (distance) C4'-P energy: -62.810
bonds (distance) P-C4' energy: -54.282
flat angles C4'-P-C4' energy: -66.502
flat angles P-C4'-P energy: -46.336
tors. eta vs tors. theta energy: -90.681
Dist. restrs. and SS energy: 0.000 (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: 249
Temperature: 1.050000
Total energy: -964.959384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.959384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.959384 (E_RNA)
where:
Base-Base interactions energy: -653.437
where: short stacking energy: -298.225
Base-Backbone interact. energy: -1.199
local terms energy: -310.323674
where:
bonds (distance) C4'-P energy: -55.219
bonds (distance) P-C4' energy: -57.139
flat angles C4'-P-C4' energy: -56.447
flat angles P-C4'-P energy: -49.717
tors. eta vs tors. theta energy: -91.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -907.379099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.379099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.379099 (E_RNA)
where:
Base-Base interactions energy: -619.497
where: short stacking energy: -278.889
Base-Backbone interact. energy: -1.902
local terms energy: -285.980504
where:
bonds (distance) C4'-P energy: -46.890
bonds (distance) P-C4' energy: -61.185
flat angles C4'-P-C4' energy: -62.392
flat angles P-C4'-P energy: -42.147
tors. eta vs tors. theta energy: -73.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -802.566975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.566975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.566975 (E_RNA)
where:
Base-Base interactions energy: -530.757
where: short stacking energy: -243.780
Base-Backbone interact. energy: -1.400
local terms energy: -270.410274
where:
bonds (distance) C4'-P energy: -44.844
bonds (distance) P-C4' energy: -54.933
flat angles C4'-P-C4' energy: -62.679
flat angles P-C4'-P energy: -38.714
tors. eta vs tors. theta energy: -69.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -702.246597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.246597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.246597 (E_RNA)
where:
Base-Base interactions energy: -464.906
where: short stacking energy: -215.245
Base-Backbone interact. energy: 0.282
local terms energy: -237.622873
where:
bonds (distance) C4'-P energy: -45.213
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -57.908
flat angles P-C4'-P energy: -29.610
tors. eta vs tors. theta energy: -48.952
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: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -631.707852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.707852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.707852 (E_RNA)
where:
Base-Base interactions energy: -391.676
where: short stacking energy: -181.964
Base-Backbone interact. energy: 1.947
local terms energy: -241.978956
where:
bonds (distance) C4'-P energy: -49.942
bonds (distance) P-C4' energy: -50.264
flat angles C4'-P-C4' energy: -62.466
flat angles P-C4'-P energy: -40.560
tors. eta vs tors. theta energy: -38.747
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: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -552.342388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.342388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.342388 (E_RNA)
where:
Base-Base interactions energy: -338.479
where: short stacking energy: -160.034
Base-Backbone interact. energy: 4.537
local terms energy: -218.400778
where:
bonds (distance) C4'-P energy: -51.958
bonds (distance) P-C4' energy: -55.147
flat angles C4'-P-C4' energy: -39.545
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -32.319
Dist. restrs. and SS energy: 0.000 (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: 249
Temperature: 1.350000
Total energy: -412.744365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.744365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.744365 (E_RNA)
where:
Base-Base interactions energy: -229.951
where: short stacking energy: -111.552
Base-Backbone interact. energy: -2.100
local terms energy: -180.693446
where:
bonds (distance) C4'-P energy: -44.083
bonds (distance) P-C4' energy: -56.280
flat angles C4'-P-C4' energy: -48.225
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1064.079157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.079157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.079157 (E_RNA)
where:
Base-Base interactions energy: -724.056
where: short stacking energy: -314.433
Base-Backbone interact. energy: 0.187
local terms energy: -340.209415
where:
bonds (distance) C4'-P energy: -58.638
bonds (distance) P-C4' energy: -63.540
flat angles C4'-P-C4' energy: -70.377
flat angles P-C4'-P energy: -55.271
tors. eta vs tors. theta energy: -92.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1033.058038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.058038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.058038 (E_RNA)
where:
Base-Base interactions energy: -736.760
where: short stacking energy: -298.427
Base-Backbone interact. energy: -0.330
local terms energy: -295.967984
where:
bonds (distance) C4'-P energy: -53.275
bonds (distance) P-C4' energy: -54.542
flat angles C4'-P-C4' energy: -64.405
flat angles P-C4'-P energy: -40.086
tors. eta vs tors. theta energy: -83.660
Dist. restrs. and SS energy: 0.000 (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: 250
Temperature: 1.000000
Total energy: -1009.964037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.964037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.964037 (E_RNA)
where:
Base-Base interactions energy: -700.834
where: short stacking energy: -317.585
Base-Backbone interact. energy: -2.069
local terms energy: -307.060424
where:
bonds (distance) C4'-P energy: -51.478
bonds (distance) P-C4' energy: -53.242
flat angles C4'-P-C4' energy: -65.567
flat angles P-C4'-P energy: -45.348
tors. eta vs tors. theta energy: -91.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -966.848763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.848763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.848763 (E_RNA)
where:
Base-Base interactions energy: -678.786
where: short stacking energy: -280.000
Base-Backbone interact. energy: -0.406
local terms energy: -287.657260
where:
bonds (distance) C4'-P energy: -49.766
bonds (distance) P-C4' energy: -54.118
flat angles C4'-P-C4' energy: -66.988
flat angles P-C4'-P energy: -38.474
tors. eta vs tors. theta energy: -78.312
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: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -904.639756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.639756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.639756 (E_RNA)
where:
Base-Base interactions energy: -618.443
where: short stacking energy: -263.846
Base-Backbone interact. energy: 1.760
local terms energy: -287.956847
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -59.334
flat angles C4'-P-C4' energy: -59.236
flat angles P-C4'-P energy: -40.035
tors. eta vs tors. theta energy: -75.154
Dist. restrs. and SS energy: 0.000 (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: 250
Temperature: 1.150000
Total energy: -783.963623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.963623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.963623 (E_RNA)
where:
Base-Base interactions energy: -506.312
where: short stacking energy: -232.789
Base-Backbone interact. energy: 0.073
local terms energy: -277.724537
where:
bonds (distance) C4'-P energy: -58.345
bonds (distance) P-C4' energy: -60.708
flat angles C4'-P-C4' energy: -57.472
flat angles P-C4'-P energy: -40.108
tors. eta vs tors. theta energy: -61.092
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: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -634.444509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.444509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.444509 (E_RNA)
where:
Base-Base interactions energy: -387.668
where: short stacking energy: -190.824
Base-Backbone interact. energy: -1.033
local terms energy: -245.743188
where:
bonds (distance) C4'-P energy: -53.564
bonds (distance) P-C4' energy: -52.997
flat angles C4'-P-C4' energy: -60.486
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: -35.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -710.141382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.141382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.141382 (E_RNA)
where:
Base-Base interactions energy: -473.820
where: short stacking energy: -218.576
Base-Backbone interact. energy: 0.478
local terms energy: -236.799928
where:
bonds (distance) C4'-P energy: -49.126
bonds (distance) P-C4' energy: -48.605
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -37.757
tors. eta vs tors. theta energy: -55.293
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: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -565.448474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.448474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.448474 (E_RNA)
where:
Base-Base interactions energy: -354.775
where: short stacking energy: -148.994
Base-Backbone interact. energy: 5.716
local terms energy: -216.388922
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -55.174
flat angles C4'-P-C4' energy: -55.569
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -26.380
Dist. restrs. and SS energy: 0.000 (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: 250
Temperature: 1.350000
Total energy: -417.490063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.490063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.490063 (E_RNA)
where:
Base-Base interactions energy: -233.744
where: short stacking energy: -130.919
Base-Backbone interact. energy: -0.972
local terms energy: -182.774297
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -59.746
flat angles C4'-P-C4' energy: -54.062
flat angles P-C4'-P energy: -20.034
tors. eta vs tors. theta energy: -5.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1072.049849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.049849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.049849 (E_RNA)
where:
Base-Base interactions energy: -745.834
where: short stacking energy: -331.025
Base-Backbone interact. energy: -0.920
local terms energy: -325.296202
where:
bonds (distance) C4'-P energy: -60.289
bonds (distance) P-C4' energy: -56.094
flat angles C4'-P-C4' energy: -70.647
flat angles P-C4'-P energy: -40.945
tors. eta vs tors. theta energy: -97.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1019.709941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.709941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.709941 (E_RNA)
where:
Base-Base interactions energy: -686.411
where: short stacking energy: -329.076
Base-Backbone interact. energy: -1.778
local terms energy: -331.521293
where:
bonds (distance) C4'-P energy: -59.054
bonds (distance) P-C4' energy: -59.057
flat angles C4'-P-C4' energy: -66.100
flat angles P-C4'-P energy: -50.672
tors. eta vs tors. theta energy: -96.638
Dist. restrs. and SS energy: 0.000 (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: 251
Temperature: 1.000000
Total energy: -1011.807780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.807780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.807780 (E_RNA)
where:
Base-Base interactions energy: -711.318
where: short stacking energy: -293.000
Base-Backbone interact. energy: -0.486
local terms energy: -300.003408
where:
bonds (distance) C4'-P energy: -57.467
bonds (distance) P-C4' energy: -52.336
flat angles C4'-P-C4' energy: -66.547
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: -84.921
Dist. restrs. and SS energy: 0.000 (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: 251
Temperature: 1.050000
Total energy: -999.127248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.127248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.127248 (E_RNA)
where:
Base-Base interactions energy: -687.046
where: short stacking energy: -296.819
Base-Backbone interact. energy: -0.290
local terms energy: -311.791469
where:
bonds (distance) C4'-P energy: -63.731
bonds (distance) P-C4' energy: -58.666
flat angles C4'-P-C4' energy: -64.518
flat angles P-C4'-P energy: -43.528
tors. eta vs tors. theta energy: -81.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -900.041387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.041387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.041387 (E_RNA)
where:
Base-Base interactions energy: -598.747
where: short stacking energy: -267.254
Base-Backbone interact. energy: -1.599
local terms energy: -299.695672
where:
bonds (distance) C4'-P energy: -61.155
bonds (distance) P-C4' energy: -54.147
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -73.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -806.421821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.421821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.421821 (E_RNA)
where:
Base-Base interactions energy: -538.168
where: short stacking energy: -257.402
Base-Backbone interact. energy: -0.444
local terms energy: -267.810150
where:
bonds (distance) C4'-P energy: -45.839
bonds (distance) P-C4' energy: -45.934
flat angles C4'-P-C4' energy: -59.528
flat angles P-C4'-P energy: -44.019
tors. eta vs tors. theta energy: -72.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -662.578578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.578578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.578578 (E_RNA)
where:
Base-Base interactions energy: -425.074
where: short stacking energy: -193.870
Base-Backbone interact. energy: -1.977
local terms energy: -235.527536
where:
bonds (distance) C4'-P energy: -55.603
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -55.201
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -36.823
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: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -686.529110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.529110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.529110 (E_RNA)
where:
Base-Base interactions energy: -465.449
where: short stacking energy: -195.119
Base-Backbone interact. energy: -0.868
local terms energy: -220.212307
where:
bonds (distance) C4'-P energy: -44.937
bonds (distance) P-C4' energy: -45.013
flat angles C4'-P-C4' energy: -51.693
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -41.128
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: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -549.722322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.722322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.722322 (E_RNA)
where:
Base-Base interactions energy: -348.633
where: short stacking energy: -143.707
Base-Backbone interact. energy: 0.810
local terms energy: -201.900010
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -56.994
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -28.424
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -450.841915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.841915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.841915 (E_RNA)
where:
Base-Base interactions energy: -246.941
where: short stacking energy: -123.502
Base-Backbone interact. energy: -1.053
local terms energy: -202.848068
where:
bonds (distance) C4'-P energy: -56.567
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -47.897
flat angles P-C4'-P energy: -26.208
tors. eta vs tors. theta energy: -19.310
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: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1081.750456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.750456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.750456 (E_RNA)
where:
Base-Base interactions energy: -747.354
where: short stacking energy: -328.446
Base-Backbone interact. energy: -0.554
local terms energy: -333.842476
where:
bonds (distance) C4'-P energy: -58.336
bonds (distance) P-C4' energy: -67.562
flat angles C4'-P-C4' energy: -64.878
flat angles P-C4'-P energy: -46.049
tors. eta vs tors. theta energy: -97.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1018.653442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.653442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.653442 (E_RNA)
where:
Base-Base interactions energy: -687.754
where: short stacking energy: -306.997
Base-Backbone interact. energy: -0.190
local terms energy: -330.709448
where:
bonds (distance) C4'-P energy: -61.478
bonds (distance) P-C4' energy: -65.878
flat angles C4'-P-C4' energy: -72.992
flat angles P-C4'-P energy: -39.080
tors. eta vs tors. theta energy: -91.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1027.089206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.089206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.089206 (E_RNA)
where:
Base-Base interactions energy: -703.542
where: short stacking energy: -315.192
Base-Backbone interact. energy: -0.226
local terms energy: -323.320885
where:
bonds (distance) C4'-P energy: -64.711
bonds (distance) P-C4' energy: -56.636
flat angles C4'-P-C4' energy: -68.072
flat angles P-C4'-P energy: -42.248
tors. eta vs tors. theta energy: -91.653
Dist. restrs. and SS energy: 0.000 (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: 252
Temperature: 1.050000
Total energy: -969.787826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.787826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.787826 (E_RNA)
where:
Base-Base interactions energy: -683.001
where: short stacking energy: -289.800
Base-Backbone interact. energy: -2.241
local terms energy: -284.545544
where:
bonds (distance) C4'-P energy: -40.128
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -62.640
flat angles P-C4'-P energy: -39.755
tors. eta vs tors. theta energy: -80.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -920.470382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.470382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.470382 (E_RNA)
where:
Base-Base interactions energy: -632.646
where: short stacking energy: -261.523
Base-Backbone interact. energy: -0.146
local terms energy: -287.677787
where:
bonds (distance) C4'-P energy: -47.208
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -65.002
flat angles P-C4'-P energy: -45.856
tors. eta vs tors. theta energy: -73.415
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: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -806.873243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.873243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.873243 (E_RNA)
where:
Base-Base interactions energy: -531.189
where: short stacking energy: -225.542
Base-Backbone interact. energy: 1.911
local terms energy: -277.594921
where:
bonds (distance) C4'-P energy: -49.119
bonds (distance) P-C4' energy: -51.522
flat angles C4'-P-C4' energy: -69.426
flat angles P-C4'-P energy: -40.737
tors. eta vs tors. theta energy: -66.791
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: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -692.006641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.006641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.006641 (E_RNA)
where:
Base-Base interactions energy: -451.830
where: short stacking energy: -201.368
Base-Backbone interact. energy: -2.785
local terms energy: -237.392117
where:
bonds (distance) C4'-P energy: -45.460
bonds (distance) P-C4' energy: -54.156
flat angles C4'-P-C4' energy: -59.819
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -45.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -640.184213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.184213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.184213 (E_RNA)
where:
Base-Base interactions energy: -414.358
where: short stacking energy: -209.008
Base-Backbone interact. energy: 1.671
local terms energy: -227.497150
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -61.650
flat angles C4'-P-C4' energy: -44.387
flat angles P-C4'-P energy: -29.680
tors. eta vs tors. theta energy: -46.927
Dist. restrs. and SS energy: 0.000 (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: 252
Temperature: 1.300000
Total energy: -523.018595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.018595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.018595 (E_RNA)
where:
Base-Base interactions energy: -317.762
where: short stacking energy: -152.125
Base-Backbone interact. energy: -0.386
local terms energy: -204.870011
where:
bonds (distance) C4'-P energy: -39.286
bonds (distance) P-C4' energy: -50.683
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -31.815
tors. eta vs tors. theta energy: -27.660
Dist. restrs. and SS energy: 0.000 (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: 252
Temperature: 1.350000
Total energy: -421.558964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.558964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.558964 (E_RNA)
where:
Base-Base interactions energy: -239.029
where: short stacking energy: -123.099
Base-Backbone interact. energy: -3.494
local terms energy: -179.036282
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -50.384
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (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: 253
Temperature: 0.900000
Total energy: -1066.538659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.538659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.538659 (E_RNA)
where:
Base-Base interactions energy: -726.360
where: short stacking energy: -331.918
Base-Backbone interact. energy: -1.309
local terms energy: -338.869136
where:
bonds (distance) C4'-P energy: -63.988
bonds (distance) P-C4' energy: -59.464
flat angles C4'-P-C4' energy: -71.534
flat angles P-C4'-P energy: -47.602
tors. eta vs tors. theta energy: -96.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1042.029464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.029464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.029464 (E_RNA)
where:
Base-Base interactions energy: -717.491
where: short stacking energy: -334.456
Base-Backbone interact. energy: -0.874
local terms energy: -323.664993
where:
bonds (distance) C4'-P energy: -57.687
bonds (distance) P-C4' energy: -52.198
flat angles C4'-P-C4' energy: -70.509
flat angles P-C4'-P energy: -46.439
tors. eta vs tors. theta energy: -96.832
Dist. restrs. and SS energy: 0.000 (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: 253
Temperature: 1.000000
Total energy: -1021.260540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.260540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.260540 (E_RNA)
where:
Base-Base interactions energy: -682.218
where: short stacking energy: -300.439
Base-Backbone interact. energy: -0.887
local terms energy: -338.155794
where:
bonds (distance) C4'-P energy: -63.382
bonds (distance) P-C4' energy: -61.997
flat angles C4'-P-C4' energy: -75.655
flat angles P-C4'-P energy: -42.775
tors. eta vs tors. theta energy: -94.346
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: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -970.234748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.234748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.234748 (E_RNA)
where:
Base-Base interactions energy: -680.138
where: short stacking energy: -280.673
Base-Backbone interact. energy: 1.483
local terms energy: -291.579796
where:
bonds (distance) C4'-P energy: -49.335
bonds (distance) P-C4' energy: -47.858
flat angles C4'-P-C4' energy: -62.242
flat angles P-C4'-P energy: -49.715
tors. eta vs tors. theta energy: -82.431
Dist. restrs. and SS energy: 0.000 (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: 253
Temperature: 1.100000
Total energy: -932.702090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.702090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.702090 (E_RNA)
where:
Base-Base interactions energy: -643.948
where: short stacking energy: -282.561
Base-Backbone interact. energy: -0.733
local terms energy: -288.021256
where:
bonds (distance) C4'-P energy: -51.934
bonds (distance) P-C4' energy: -45.247
flat angles C4'-P-C4' energy: -68.927
flat angles P-C4'-P energy: -42.396
tors. eta vs tors. theta energy: -79.518
Dist. restrs. and SS energy: 0.000 (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: 253
Temperature: 1.150000
Total energy: -800.121480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.121480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.121480 (E_RNA)
where:
Base-Base interactions energy: -532.178
where: short stacking energy: -261.030
Base-Backbone interact. energy: 0.711
local terms energy: -268.654884
where:
bonds (distance) C4'-P energy: -56.311
bonds (distance) P-C4' energy: -50.551
flat angles C4'-P-C4' energy: -62.073
flat angles P-C4'-P energy: -37.781
tors. eta vs tors. theta energy: -61.940
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: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -672.417163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.417163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.417163 (E_RNA)
where:
Base-Base interactions energy: -432.614
where: short stacking energy: -184.611
Base-Backbone interact. energy: -0.621
local terms energy: -239.181975
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -49.763
flat angles C4'-P-C4' energy: -54.137
flat angles P-C4'-P energy: -42.344
tors. eta vs tors. theta energy: -42.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -594.078472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.078472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.078472 (E_RNA)
where:
Base-Base interactions energy: -382.014
where: short stacking energy: -179.450
Base-Backbone interact. energy: 1.130
local terms energy: -213.194073
where:
bonds (distance) C4'-P energy: -45.008
bonds (distance) P-C4' energy: -49.784
flat angles C4'-P-C4' energy: -46.436
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -35.229
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: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -510.197284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.197284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.197284 (E_RNA)
where:
Base-Base interactions energy: -295.518
where: short stacking energy: -130.674
Base-Backbone interact. energy: 0.696
local terms energy: -215.375990
where:
bonds (distance) C4'-P energy: -61.344
bonds (distance) P-C4' energy: -56.225
flat angles C4'-P-C4' energy: -47.075
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -19.240
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: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -451.231500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.231500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.231500 (E_RNA)
where:
Base-Base interactions energy: -259.002
where: short stacking energy: -126.230
Base-Backbone interact. energy: 4.207
local terms energy: -196.436501
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -53.172
flat angles C4'-P-C4' energy: -49.888
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1066.967204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.967204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.967204 (E_RNA)
where:
Base-Base interactions energy: -729.794
where: short stacking energy: -337.265
Base-Backbone interact. energy: -0.139
local terms energy: -337.034422
where:
bonds (distance) C4'-P energy: -56.255
bonds (distance) P-C4' energy: -58.839
flat angles C4'-P-C4' energy: -70.163
flat angles P-C4'-P energy: -50.379
tors. eta vs tors. theta energy: -101.398
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: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1046.165075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.165075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.165075 (E_RNA)
where:
Base-Base interactions energy: -713.487
where: short stacking energy: -316.954
Base-Backbone interact. energy: -1.169
local terms energy: -331.509828
where:
bonds (distance) C4'-P energy: -62.570
bonds (distance) P-C4' energy: -62.572
flat angles C4'-P-C4' energy: -67.061
flat angles P-C4'-P energy: -48.707
tors. eta vs tors. theta energy: -90.599
Dist. restrs. and SS energy: 0.000 (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: 254
Temperature: 1.000000
Total energy: -995.226043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.226043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.226043 (E_RNA)
where:
Base-Base interactions energy: -680.557
where: short stacking energy: -288.895
Base-Backbone interact. energy: -0.543
local terms energy: -314.125915
where:
bonds (distance) C4'-P energy: -51.141
bonds (distance) P-C4' energy: -62.688
flat angles C4'-P-C4' energy: -70.168
flat angles P-C4'-P energy: -38.313
tors. eta vs tors. theta energy: -91.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -954.903710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.903710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.903710 (E_RNA)
where:
Base-Base interactions energy: -660.568
where: short stacking energy: -271.498
Base-Backbone interact. energy: -0.323
local terms energy: -294.011997
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -63.973
flat angles C4'-P-C4' energy: -60.162
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -78.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -915.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.111736 (E_RNA)
where:
Base-Base interactions energy: -642.392
where: short stacking energy: -285.678
Base-Backbone interact. energy: -0.258
local terms energy: -272.461898
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -50.394
flat angles C4'-P-C4' energy: -57.278
flat angles P-C4'-P energy: -32.169
tors. eta vs tors. theta energy: -80.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -815.185466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.185466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.185466 (E_RNA)
where:
Base-Base interactions energy: -520.084
where: short stacking energy: -248.519
Base-Backbone interact. energy: -1.525
local terms energy: -293.577139
where:
bonds (distance) C4'-P energy: -55.460
bonds (distance) P-C4' energy: -64.568
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -41.207
tors. eta vs tors. theta energy: -71.013
Dist. restrs. and SS energy: 0.000 (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: 254
Temperature: 1.200000
Total energy: -674.131524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.131524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.131524 (E_RNA)
where:
Base-Base interactions energy: -429.408
where: short stacking energy: -225.224
Base-Backbone interact. energy: -0.320
local terms energy: -244.403801
where:
bonds (distance) C4'-P energy: -49.273
bonds (distance) P-C4' energy: -58.812
flat angles C4'-P-C4' energy: -58.207
flat angles P-C4'-P energy: -37.591
tors. eta vs tors. theta energy: -40.521
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: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -673.680618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.680618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.680618 (E_RNA)
where:
Base-Base interactions energy: -456.014
where: short stacking energy: -212.859
Base-Backbone interact. energy: -0.599
local terms energy: -217.067165
where:
bonds (distance) C4'-P energy: -40.901
bonds (distance) P-C4' energy: -51.771
flat angles C4'-P-C4' energy: -58.166
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: -47.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -498.910715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.910715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.910715 (E_RNA)
where:
Base-Base interactions energy: -288.468
where: short stacking energy: -154.141
Base-Backbone interact. energy: -2.563
local terms energy: -207.879961
where:
bonds (distance) C4'-P energy: -51.371
bonds (distance) P-C4' energy: -57.595
flat angles C4'-P-C4' energy: -44.745
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -27.672
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: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -464.592974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.592974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.592974 (E_RNA)
where:
Base-Base interactions energy: -285.583
where: short stacking energy: -132.771
Base-Backbone interact. energy: 3.455
local terms energy: -182.465302
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -49.536
flat angles C4'-P-C4' energy: -44.229
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -11.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1087.888354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.888354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.888354 (E_RNA)
where:
Base-Base interactions energy: -761.168
where: short stacking energy: -351.102
Base-Backbone interact. energy: -1.111
local terms energy: -325.609575
where:
bonds (distance) C4'-P energy: -52.781
bonds (distance) P-C4' energy: -61.717
flat angles C4'-P-C4' energy: -72.702
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -99.866
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: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1044.710078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.710078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.710078 (E_RNA)
where:
Base-Base interactions energy: -732.001
where: short stacking energy: -321.611
Base-Backbone interact. energy: -1.249
local terms energy: -311.459604
where:
bonds (distance) C4'-P energy: -54.589
bonds (distance) P-C4' energy: -45.201
flat angles C4'-P-C4' energy: -73.537
flat angles P-C4'-P energy: -41.207
tors. eta vs tors. theta energy: -96.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -999.345299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.345299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.345299 (E_RNA)
where:
Base-Base interactions energy: -682.053
where: short stacking energy: -294.606
Base-Backbone interact. energy: -2.636
local terms energy: -314.655819
where:
bonds (distance) C4'-P energy: -59.393
bonds (distance) P-C4' energy: -57.130
flat angles C4'-P-C4' energy: -68.253
flat angles P-C4'-P energy: -43.306
tors. eta vs tors. theta energy: -86.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -943.710399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.710399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.710399 (E_RNA)
where:
Base-Base interactions energy: -659.962
where: short stacking energy: -289.166
Base-Backbone interact. energy: -1.889
local terms energy: -281.860025
where:
bonds (distance) C4'-P energy: -52.029
bonds (distance) P-C4' energy: -55.902
flat angles C4'-P-C4' energy: -58.468
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: -68.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -929.553431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.553431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.553431 (E_RNA)
where:
Base-Base interactions energy: -652.513
where: short stacking energy: -259.976
Base-Backbone interact. energy: -1.566
local terms energy: -275.474733
where:
bonds (distance) C4'-P energy: -54.925
bonds (distance) P-C4' energy: -54.988
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -33.788
tors. eta vs tors. theta energy: -69.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -774.484238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.484238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.484238 (E_RNA)
where:
Base-Base interactions energy: -523.947
where: short stacking energy: -231.714
Base-Backbone interact. energy: -0.413
local terms energy: -250.124098
where:
bonds (distance) C4'-P energy: -49.115
bonds (distance) P-C4' energy: -62.112
flat angles C4'-P-C4' energy: -55.068
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -58.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -618.737295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.737295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.737295 (E_RNA)
where:
Base-Base interactions energy: -395.988
where: short stacking energy: -185.640
Base-Backbone interact. energy: 0.513
local terms energy: -223.261944
where:
bonds (distance) C4'-P energy: -53.609
bonds (distance) P-C4' energy: -45.591
flat angles C4'-P-C4' energy: -58.242
flat angles P-C4'-P energy: -27.328
tors. eta vs tors. theta energy: -38.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -676.946146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.946146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.946146 (E_RNA)
where:
Base-Base interactions energy: -452.294
where: short stacking energy: -219.661
Base-Backbone interact. energy: -0.823
local terms energy: -223.830107
where:
bonds (distance) C4'-P energy: -39.970
bonds (distance) P-C4' energy: -56.366
flat angles C4'-P-C4' energy: -51.573
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -46.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -509.414814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.414814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.414814 (E_RNA)
where:
Base-Base interactions energy: -319.444
where: short stacking energy: -147.283
Base-Backbone interact. energy: 3.953
local terms energy: -193.924324
where:
bonds (distance) C4'-P energy: -58.346
bonds (distance) P-C4' energy: -50.804
flat angles C4'-P-C4' energy: -39.883
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -529.509111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.509111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.509111 (E_RNA)
where:
Base-Base interactions energy: -331.440
where: short stacking energy: -147.689
Base-Backbone interact. energy: -0.044
local terms energy: -198.025688
where:
bonds (distance) C4'-P energy: -52.633
bonds (distance) P-C4' energy: -55.911
flat angles C4'-P-C4' energy: -51.707
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (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: 256
Temperature: 0.900000
Total energy: -1089.064567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.064567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.064567 (E_RNA)
where:
Base-Base interactions energy: -729.032
where: short stacking energy: -334.194
Base-Backbone interact. energy: -0.465
local terms energy: -359.567037
where:
bonds (distance) C4'-P energy: -73.343
bonds (distance) P-C4' energy: -66.286
flat angles C4'-P-C4' energy: -69.559
flat angles P-C4'-P energy: -48.103
tors. eta vs tors. theta energy: -102.276
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: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1029.414456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.414456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.414456 (E_RNA)
where:
Base-Base interactions energy: -699.179
where: short stacking energy: -318.048
Base-Backbone interact. energy: -0.966
local terms energy: -329.269643
where:
bonds (distance) C4'-P energy: -54.307
bonds (distance) P-C4' energy: -60.703
flat angles C4'-P-C4' energy: -67.754
flat angles P-C4'-P energy: -52.918
tors. eta vs tors. theta energy: -93.588
Dist. restrs. and SS energy: 0.000 (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: 256
Temperature: 1.000000
Total energy: -991.738693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.738693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.738693 (E_RNA)
where:
Base-Base interactions energy: -670.995
where: short stacking energy: -303.797
Base-Backbone interact. energy: -0.117
local terms energy: -320.625892
where:
bonds (distance) C4'-P energy: -54.189
bonds (distance) P-C4' energy: -60.999
flat angles C4'-P-C4' energy: -66.988
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -89.339
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: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -932.507098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.507098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.507098 (E_RNA)
where:
Base-Base interactions energy: -645.731
where: short stacking energy: -277.335
Base-Backbone interact. energy: 1.786
local terms energy: -288.562596
where:
bonds (distance) C4'-P energy: -66.337
bonds (distance) P-C4' energy: -43.307
flat angles C4'-P-C4' energy: -66.622
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -72.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -962.046144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.046144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.046144 (E_RNA)
where:
Base-Base interactions energy: -691.087
where: short stacking energy: -287.529
Base-Backbone interact. energy: -0.214
local terms energy: -270.745471
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -50.676
flat angles C4'-P-C4' energy: -65.849
flat angles P-C4'-P energy: -32.419
tors. eta vs tors. theta energy: -71.706
Dist. restrs. and SS energy: 0.000 (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: 256
Temperature: 1.150000
Total energy: -784.224013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.224013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.224013 (E_RNA)
where:
Base-Base interactions energy: -520.648
where: short stacking energy: -222.022
Base-Backbone interact. energy: -1.673
local terms energy: -261.902597
where:
bonds (distance) C4'-P energy: -46.846
bonds (distance) P-C4' energy: -61.074
flat angles C4'-P-C4' energy: -56.970
flat angles P-C4'-P energy: -38.869
tors. eta vs tors. theta energy: -58.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -692.589222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.589222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.589222 (E_RNA)
where:
Base-Base interactions energy: -450.018
where: short stacking energy: -216.916
Base-Backbone interact. energy: -0.721
local terms energy: -241.850630
where:
bonds (distance) C4'-P energy: -44.804
bonds (distance) P-C4' energy: -58.197
flat angles C4'-P-C4' energy: -59.810
flat angles P-C4'-P energy: -25.054
tors. eta vs tors. theta energy: -53.986
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: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -583.462727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.462727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.462727 (E_RNA)
where:
Base-Base interactions energy: -366.305
where: short stacking energy: -168.324
Base-Backbone interact. energy: -2.735
local terms energy: -214.422949
where:
bonds (distance) C4'-P energy: -46.352
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -53.204
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -27.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -522.234636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.234636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.234636 (E_RNA)
where:
Base-Base interactions energy: -315.282
where: short stacking energy: -147.415
Base-Backbone interact. energy: 0.388
local terms energy: -207.340712
where:
bonds (distance) C4'-P energy: -50.952
bonds (distance) P-C4' energy: -63.414
flat angles C4'-P-C4' energy: -34.277
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -545.507477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.507477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.507477 (E_RNA)
where:
Base-Base interactions energy: -334.689
where: short stacking energy: -147.558
Base-Backbone interact. energy: -0.340
local terms energy: -210.478997
where:
bonds (distance) C4'-P energy: -47.170
bonds (distance) P-C4' energy: -49.175
flat angles C4'-P-C4' energy: -55.979
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.000 (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: 257
Temperature: 0.900000
Total energy: -1082.164704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.164704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.164704 (E_RNA)
where:
Base-Base interactions energy: -748.468
where: short stacking energy: -322.405
Base-Backbone interact. energy: -1.026
local terms energy: -332.670759
where:
bonds (distance) C4'-P energy: -64.984
bonds (distance) P-C4' energy: -53.751
flat angles C4'-P-C4' energy: -67.204
flat angles P-C4'-P energy: -47.698
tors. eta vs tors. theta energy: -99.034
Dist. restrs. and SS energy: 0.000 (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: 257
Temperature: 0.950000
Total energy: -1047.614063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.614063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.614063 (E_RNA)
where:
Base-Base interactions energy: -726.225
where: short stacking energy: -320.368
Base-Backbone interact. energy: -0.540
local terms energy: -320.848915
where:
bonds (distance) C4'-P energy: -53.621
bonds (distance) P-C4' energy: -54.707
flat angles C4'-P-C4' energy: -68.749
flat angles P-C4'-P energy: -48.235
tors. eta vs tors. theta energy: -95.537
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: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -976.284761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.284761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.284761 (E_RNA)
where:
Base-Base interactions energy: -670.034
where: short stacking energy: -281.424
Base-Backbone interact. energy: -0.763
local terms energy: -305.488524
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -61.610
flat angles C4'-P-C4' energy: -71.960
flat angles P-C4'-P energy: -41.325
tors. eta vs tors. theta energy: -82.366
Dist. restrs. and SS energy: 0.000 (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: 257
Temperature: 1.050000
Total energy: -986.772432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.772432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.772432 (E_RNA)
where:
Base-Base interactions energy: -694.731
where: short stacking energy: -287.640
Base-Backbone interact. energy: -0.494
local terms energy: -291.547931
where:
bonds (distance) C4'-P energy: -55.036
bonds (distance) P-C4' energy: -55.695
flat angles C4'-P-C4' energy: -59.413
flat angles P-C4'-P energy: -45.874
tors. eta vs tors. theta energy: -75.530
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: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -915.907076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.907076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.907076 (E_RNA)
where:
Base-Base interactions energy: -640.160
where: short stacking energy: -291.326
Base-Backbone interact. energy: -0.904
local terms energy: -274.842837
where:
bonds (distance) C4'-P energy: -51.135
bonds (distance) P-C4' energy: -42.861
flat angles C4'-P-C4' energy: -59.296
flat angles P-C4'-P energy: -43.156
tors. eta vs tors. theta energy: -78.395
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: 6, replica: 4
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -737.572717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.572717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.572717 (E_RNA)
where:
Base-Base interactions energy: -493.696
where: short stacking energy: -227.665
Base-Backbone interact. energy: 0.331
local terms energy: -244.207676
where:
bonds (distance) C4'-P energy: -51.316
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -63.418
flat angles P-C4'-P energy: -35.844
tors. eta vs tors. theta energy: -60.032
Dist. restrs. and SS energy: 0.000 (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: 257
Temperature: 1.200000
Total energy: -719.690354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.690354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.690354 (E_RNA)
where:
Base-Base interactions energy: -465.023
where: short stacking energy: -210.807
Base-Backbone interact. energy: -1.276
local terms energy: -253.390663
where:
bonds (distance) C4'-P energy: -47.341
bonds (distance) P-C4' energy: -61.060
flat angles C4'-P-C4' energy: -55.749
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: -47.054
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: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -569.622100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.622100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.622100 (E_RNA)
where:
Base-Base interactions energy: -334.153
where: short stacking energy: -156.780
Base-Backbone interact. energy: -1.959
local terms energy: -233.509775
where:
bonds (distance) C4'-P energy: -55.242
bonds (distance) P-C4' energy: -57.546
flat angles C4'-P-C4' energy: -54.242
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -31.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -509.568570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.568570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.568570 (E_RNA)
where:
Base-Base interactions energy: -314.740
where: short stacking energy: -154.294
Base-Backbone interact. energy: -0.379
local terms energy: -194.449578
where:
bonds (distance) C4'-P energy: -48.978
bonds (distance) P-C4' energy: -48.673
flat angles C4'-P-C4' energy: -43.302
flat angles P-C4'-P energy: -30.416
tors. eta vs tors. theta energy: -23.081
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: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -483.559352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.559352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.559352 (E_RNA)
where:
Base-Base interactions energy: -294.962
where: short stacking energy: -136.755
Base-Backbone interact. energy: -0.885
local terms energy: -187.711881
where:
bonds (distance) C4'-P energy: -48.242
bonds (distance) P-C4' energy: -58.879
flat angles C4'-P-C4' energy: -42.192
flat angles P-C4'-P energy: -25.416
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (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: 258
Temperature: 0.900000
Total energy: -1072.930876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.930876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.930876 (E_RNA)
where:
Base-Base interactions energy: -744.589
where: short stacking energy: -311.968
Base-Backbone interact. energy: -0.374
local terms energy: -327.968376
where:
bonds (distance) C4'-P energy: -63.997
bonds (distance) P-C4' energy: -62.491
flat angles C4'-P-C4' energy: -61.773
flat angles P-C4'-P energy: -49.745
tors. eta vs tors. theta energy: -89.963
Dist. restrs. and SS energy: 0.000 (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: 258
Temperature: 0.950000
Total energy: -1065.612571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.612571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.612571 (E_RNA)
where:
Base-Base interactions energy: -744.870
where: short stacking energy: -333.362
Base-Backbone interact. energy: -2.003
local terms energy: -318.739252
where:
bonds (distance) C4'-P energy: -54.799
bonds (distance) P-C4' energy: -55.398
flat angles C4'-P-C4' energy: -70.940
flat angles P-C4'-P energy: -37.343
tors. eta vs tors. theta energy: -100.259
Dist. restrs. and SS energy: 0.000 (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: 258
Temperature: 1.000000
Total energy: -1006.207500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.207500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.207500 (E_RNA)
where:
Base-Base interactions energy: -689.945
where: short stacking energy: -311.007
Base-Backbone interact. energy: -0.010
local terms energy: -316.252805
where:
bonds (distance) C4'-P energy: -65.051
bonds (distance) P-C4' energy: -62.500
flat angles C4'-P-C4' energy: -57.446
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -89.454
Dist. restrs. and SS energy: 0.000 (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: 258
Temperature: 1.050000
Total energy: -969.479888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.479888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.479888 (E_RNA)
where:
Base-Base interactions energy: -684.170
where: short stacking energy: -265.610
Base-Backbone interact. energy: 0.168
local terms energy: -285.477241
where:
bonds (distance) C4'-P energy: -65.680
bonds (distance) P-C4' energy: -53.128
flat angles C4'-P-C4' energy: -58.204
flat angles P-C4'-P energy: -39.406
tors. eta vs tors. theta energy: -69.059
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: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -919.975044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.975044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.975044 (E_RNA)
where:
Base-Base interactions energy: -634.994
where: short stacking energy: -278.488
Base-Backbone interact. energy: -2.471
local terms energy: -282.510384
where:
bonds (distance) C4'-P energy: -48.579
bonds (distance) P-C4' energy: -53.796
flat angles C4'-P-C4' energy: -66.069
flat angles P-C4'-P energy: -38.340
tors. eta vs tors. theta energy: -75.727
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: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -764.540235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.540235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.540235 (E_RNA)
where:
Base-Base interactions energy: -494.121
where: short stacking energy: -209.749
Base-Backbone interact. energy: -1.490
local terms energy: -268.928979
where:
bonds (distance) C4'-P energy: -52.670
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -53.869
flat angles P-C4'-P energy: -42.396
tors. eta vs tors. theta energy: -65.803
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: 7, replica: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -736.914205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.914205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.914205 (E_RNA)
where:
Base-Base interactions energy: -507.011
where: short stacking energy: -229.115
Base-Backbone interact. energy: -1.730
local terms energy: -228.173315
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -51.925
flat angles C4'-P-C4' energy: -66.344
flat angles P-C4'-P energy: -23.753
tors. eta vs tors. theta energy: -52.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -595.151733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.151733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.151733 (E_RNA)
where:
Base-Base interactions energy: -383.895
where: short stacking energy: -168.001
Base-Backbone interact. energy: 1.630
local terms energy: -212.886473
where:
bonds (distance) C4'-P energy: -43.374
bonds (distance) P-C4' energy: -51.897
flat angles C4'-P-C4' energy: -50.444
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -36.209
Dist. restrs. and SS energy: 0.000 (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: 258
Temperature: 1.300000
Total energy: -561.524767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.524767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.524767 (E_RNA)
where:
Base-Base interactions energy: -340.180
where: short stacking energy: -140.694
Base-Backbone interact. energy: 2.843
local terms energy: -224.187700
where:
bonds (distance) C4'-P energy: -55.577
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -62.838
flat angles P-C4'-P energy: -28.954
tors. eta vs tors. theta energy: -25.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -494.460939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.460939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.460939 (E_RNA)
where:
Base-Base interactions energy: -315.428
where: short stacking energy: -172.519
Base-Backbone interact. energy: 3.321
local terms energy: -182.354314
where:
bonds (distance) C4'-P energy: -39.690
bonds (distance) P-C4' energy: -54.267
flat angles C4'-P-C4' energy: -42.982
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -26.940
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: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1059.098694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.098694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.098694 (E_RNA)
where:
Base-Base interactions energy: -723.720
where: short stacking energy: -320.243
Base-Backbone interact. energy: -0.510
local terms energy: -334.868592
where:
bonds (distance) C4'-P energy: -60.624
bonds (distance) P-C4' energy: -69.202
flat angles C4'-P-C4' energy: -65.908
flat angles P-C4'-P energy: -47.502
tors. eta vs tors. theta energy: -91.633
Dist. restrs. and SS energy: 0.000 (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: 259
Temperature: 0.950000
Total energy: -1080.520259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.520259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.520259 (E_RNA)
where:
Base-Base interactions energy: -746.136
where: short stacking energy: -337.849
Base-Backbone interact. energy: 0.069
local terms energy: -334.453643
where:
bonds (distance) C4'-P energy: -60.603
bonds (distance) P-C4' energy: -57.674
flat angles C4'-P-C4' energy: -69.589
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -101.960
Dist. restrs. and SS energy: 0.000 (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: 259
Temperature: 1.000000
Total energy: -981.950027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.950027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.950027 (E_RNA)
where:
Base-Base interactions energy: -679.300
where: short stacking energy: -313.816
Base-Backbone interact. energy: -1.610
local terms energy: -301.039762
where:
bonds (distance) C4'-P energy: -50.896
bonds (distance) P-C4' energy: -55.067
flat angles C4'-P-C4' energy: -59.231
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -95.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -948.821866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.821866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.821866 (E_RNA)
where:
Base-Base interactions energy: -652.794
where: short stacking energy: -292.959
Base-Backbone interact. energy: -0.286
local terms energy: -295.742233
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -60.545
flat angles C4'-P-C4' energy: -63.238
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -84.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -947.440873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.440873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.440873 (E_RNA)
where:
Base-Base interactions energy: -675.566
where: short stacking energy: -263.638
Base-Backbone interact. energy: -0.185
local terms energy: -271.689769
where:
bonds (distance) C4'-P energy: -54.889
bonds (distance) P-C4' energy: -55.416
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: -65.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -740.876877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.876877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.876877 (E_RNA)
where:
Base-Base interactions energy: -487.108
where: short stacking energy: -228.406
Base-Backbone interact. energy: -0.312
local terms energy: -253.456525
where:
bonds (distance) C4'-P energy: -39.980
bonds (distance) P-C4' energy: -65.976
flat angles C4'-P-C4' energy: -59.586
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: -53.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -770.074210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.074210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.074210 (E_RNA)
where:
Base-Base interactions energy: -478.225
where: short stacking energy: -236.138
Base-Backbone interact. energy: 1.615
local terms energy: -293.464540
where:
bonds (distance) C4'-P energy: -59.551
bonds (distance) P-C4' energy: -51.663
flat angles C4'-P-C4' energy: -64.476
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -73.126
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: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -680.842930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.842930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.842930 (E_RNA)
where:
Base-Base interactions energy: -456.143
where: short stacking energy: -183.548
Base-Backbone interact. energy: -0.332
local terms energy: -224.367414
where:
bonds (distance) C4'-P energy: -43.848
bonds (distance) P-C4' energy: -59.646
flat angles C4'-P-C4' energy: -54.025
flat angles P-C4'-P energy: -34.228
tors. eta vs tors. theta energy: -32.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -589.834122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.834122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.834122 (E_RNA)
where:
Base-Base interactions energy: -359.931
where: short stacking energy: -181.714
Base-Backbone interact. energy: -2.275
local terms energy: -227.627979
where:
bonds (distance) C4'-P energy: -53.509
bonds (distance) P-C4' energy: -57.457
flat angles C4'-P-C4' energy: -49.739
flat angles P-C4'-P energy: -26.740
tors. eta vs tors. theta energy: -40.183
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: 10, replica: 7
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -466.647697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.647697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.647697 (E_RNA)
where:
Base-Base interactions energy: -267.498
where: short stacking energy: -133.033
Base-Backbone interact. energy: -1.232
local terms energy: -197.917856
where:
bonds (distance) C4'-P energy: -46.852
bonds (distance) P-C4' energy: -49.070
flat angles C4'-P-C4' energy: -55.846
flat angles P-C4'-P energy: -26.756
tors. eta vs tors. theta energy: -19.394
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: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1112.614090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.614090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.614090 (E_RNA)
where:
Base-Base interactions energy: -760.347
where: short stacking energy: -331.891
Base-Backbone interact. energy: -1.840
local terms energy: -350.426224
where:
bonds (distance) C4'-P energy: -62.961
bonds (distance) P-C4' energy: -61.605
flat angles C4'-P-C4' energy: -75.694
flat angles P-C4'-P energy: -47.588
tors. eta vs tors. theta energy: -102.578
Dist. restrs. and SS energy: 0.000 (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: 260
Temperature: 0.950000
Total energy: -1050.945555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.945555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.945555 (E_RNA)
where:
Base-Base interactions energy: -736.390
where: short stacking energy: -317.526
Base-Backbone interact. energy: -0.485
local terms energy: -314.070707
where:
bonds (distance) C4'-P energy: -55.327
bonds (distance) P-C4' energy: -55.405
flat angles C4'-P-C4' energy: -69.746
flat angles P-C4'-P energy: -41.884
tors. eta vs tors. theta energy: -91.708
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: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -975.133609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.133609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.133609 (E_RNA)
where:
Base-Base interactions energy: -658.217
where: short stacking energy: -302.189
Base-Backbone interact. energy: -0.443
local terms energy: -316.474351
where:
bonds (distance) C4'-P energy: -53.539
bonds (distance) P-C4' energy: -60.334
flat angles C4'-P-C4' energy: -69.036
flat angles P-C4'-P energy: -45.950
tors. eta vs tors. theta energy: -87.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -966.420886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.420886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.420886 (E_RNA)
where:
Base-Base interactions energy: -652.616
where: short stacking energy: -282.784
Base-Backbone interact. energy: -1.076
local terms energy: -312.729708
where:
bonds (distance) C4'-P energy: -55.887
bonds (distance) P-C4' energy: -54.630
flat angles C4'-P-C4' energy: -69.527
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -87.881
Dist. restrs. and SS energy: 0.000 (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: 260
Temperature: 1.100000
Total energy: -976.493485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.493485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.493485 (E_RNA)
where:
Base-Base interactions energy: -687.021
where: short stacking energy: -268.721
Base-Backbone interact. energy: -0.587
local terms energy: -288.885706
where:
bonds (distance) C4'-P energy: -53.267
bonds (distance) P-C4' energy: -61.252
flat angles C4'-P-C4' energy: -55.310
flat angles P-C4'-P energy: -49.257
tors. eta vs tors. theta energy: -69.800
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: 6, replica: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -759.004968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.004968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.004968 (E_RNA)
where:
Base-Base interactions energy: -487.570
where: short stacking energy: -224.504
Base-Backbone interact. energy: -1.971
local terms energy: -269.464307
where:
bonds (distance) C4'-P energy: -57.903
bonds (distance) P-C4' energy: -53.118
flat angles C4'-P-C4' energy: -59.435
flat angles P-C4'-P energy: -38.375
tors. eta vs tors. theta energy: -60.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -701.450399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.450399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.450399 (E_RNA)
where:
Base-Base interactions energy: -454.828
where: short stacking energy: -200.965
Base-Backbone interact. energy: -0.983
local terms energy: -245.639392
where:
bonds (distance) C4'-P energy: -52.796
bonds (distance) P-C4' energy: -52.852
flat angles C4'-P-C4' energy: -56.378
flat angles P-C4'-P energy: -36.416
tors. eta vs tors. theta energy: -47.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -599.026185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.026185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.026185 (E_RNA)
where:
Base-Base interactions energy: -368.234
where: short stacking energy: -174.635
Base-Backbone interact. energy: -0.907
local terms energy: -229.884984
where:
bonds (distance) C4'-P energy: -47.267
bonds (distance) P-C4' energy: -55.051
flat angles C4'-P-C4' energy: -57.697
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -39.825
Dist. restrs. and SS energy: 0.000 (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: 260
Temperature: 1.300000
Total energy: -567.331232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.331232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.331232 (E_RNA)
where:
Base-Base interactions energy: -338.354
where: short stacking energy: -148.506
Base-Backbone interact. energy: 3.085
local terms energy: -232.062925
where:
bonds (distance) C4'-P energy: -44.407
bonds (distance) P-C4' energy: -63.728
flat angles C4'-P-C4' energy: -52.379
flat angles P-C4'-P energy: -30.344
tors. eta vs tors. theta energy: -41.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -474.176782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.176782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.176782 (E_RNA)
where:
Base-Base interactions energy: -283.546
where: short stacking energy: -146.640
Base-Backbone interact. energy: -2.379
local terms energy: -188.251535
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -51.547
flat angles C4'-P-C4' energy: -48.361
flat angles P-C4'-P energy: -33.135
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1089.686021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.686021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.686021 (E_RNA)
where:
Base-Base interactions energy: -753.317
where: short stacking energy: -323.964
Base-Backbone interact. energy: -0.945
local terms energy: -335.423446
where:
bonds (distance) C4'-P energy: -48.371
bonds (distance) P-C4' energy: -70.349
flat angles C4'-P-C4' energy: -73.204
flat angles P-C4'-P energy: -45.843
tors. eta vs tors. theta energy: -97.656
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: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1052.156773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.156773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.156773 (E_RNA)
where:
Base-Base interactions energy: -729.082
where: short stacking energy: -313.764
Base-Backbone interact. energy: -0.645
local terms energy: -322.429813
where:
bonds (distance) C4'-P energy: -61.892
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -68.042
flat angles P-C4'-P energy: -49.819
tors. eta vs tors. theta energy: -90.102
Dist. restrs. and SS energy: 0.000 (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: 261
Temperature: 1.000000
Total energy: -985.665701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.665701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.665701 (E_RNA)
where:
Base-Base interactions energy: -678.020
where: short stacking energy: -301.577
Base-Backbone interact. energy: 1.656
local terms energy: -309.301865
where:
bonds (distance) C4'-P energy: -52.200
bonds (distance) P-C4' energy: -61.975
flat angles C4'-P-C4' energy: -66.397
flat angles P-C4'-P energy: -43.437
tors. eta vs tors. theta energy: -85.294
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: 4, replica: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -984.718947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.718947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.718947 (E_RNA)
where:
Base-Base interactions energy: -691.742
where: short stacking energy: -276.588
Base-Backbone interact. energy: -3.207
local terms energy: -289.769496
where:
bonds (distance) C4'-P energy: -48.998
bonds (distance) P-C4' energy: -58.423
flat angles C4'-P-C4' energy: -66.790
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -68.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -946.413080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.413080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.413080 (E_RNA)
where:
Base-Base interactions energy: -643.888
where: short stacking energy: -291.968
Base-Backbone interact. energy: -1.366
local terms energy: -301.159283
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -58.303
flat angles C4'-P-C4' energy: -67.530
flat angles P-C4'-P energy: -43.706
tors. eta vs tors. theta energy: -80.666
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: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -735.848412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.848412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.848412 (E_RNA)
where:
Base-Base interactions energy: -477.254
where: short stacking energy: -226.844
Base-Backbone interact. energy: 0.471
local terms energy: -259.065627
where:
bonds (distance) C4'-P energy: -63.100
bonds (distance) P-C4' energy: -45.528
flat angles C4'-P-C4' energy: -55.527
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -57.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -701.971645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.971645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.971645 (E_RNA)
where:
Base-Base interactions energy: -465.373
where: short stacking energy: -221.518
Base-Backbone interact. energy: -0.379
local terms energy: -236.219661
where:
bonds (distance) C4'-P energy: -58.511
bonds (distance) P-C4' energy: -48.850
flat angles C4'-P-C4' energy: -47.623
flat angles P-C4'-P energy: -33.059
tors. eta vs tors. theta energy: -48.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -579.926544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.926544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.926544 (E_RNA)
where:
Base-Base interactions energy: -367.438
where: short stacking energy: -167.013
Base-Backbone interact. energy: -3.320
local terms energy: -209.168322
where:
bonds (distance) C4'-P energy: -54.207
bonds (distance) P-C4' energy: -47.137
flat angles C4'-P-C4' energy: -54.065
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -24.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -557.131836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.131836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.131836 (E_RNA)
where:
Base-Base interactions energy: -361.207
where: short stacking energy: -167.753
Base-Backbone interact. energy: -0.143
local terms energy: -195.781889
where:
bonds (distance) C4'-P energy: -46.033
bonds (distance) P-C4' energy: -45.131
flat angles C4'-P-C4' energy: -45.752
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -32.210
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: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -479.077296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.077296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.077296 (E_RNA)
where:
Base-Base interactions energy: -266.747
where: short stacking energy: -140.552
Base-Backbone interact. energy: 0.332
local terms energy: -212.662650
where:
bonds (distance) C4'-P energy: -49.483
bonds (distance) P-C4' energy: -59.970
flat angles C4'-P-C4' energy: -49.581
flat angles P-C4'-P energy: -33.368
tors. eta vs tors. theta energy: -20.261
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: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1076.907359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.907359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.907359 (E_RNA)
where:
Base-Base interactions energy: -739.351
where: short stacking energy: -327.908
Base-Backbone interact. energy: -1.729
local terms energy: -335.827101
where:
bonds (distance) C4'-P energy: -58.206
bonds (distance) P-C4' energy: -65.820
flat angles C4'-P-C4' energy: -70.628
flat angles P-C4'-P energy: -44.364
tors. eta vs tors. theta energy: -96.810
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: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1032.760734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.760734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.760734 (E_RNA)
where:
Base-Base interactions energy: -719.121
where: short stacking energy: -305.494
Base-Backbone interact. energy: -0.415
local terms energy: -313.224406
where:
bonds (distance) C4'-P energy: -59.400
bonds (distance) P-C4' energy: -54.378
flat angles C4'-P-C4' energy: -67.851
flat angles P-C4'-P energy: -46.003
tors. eta vs tors. theta energy: -85.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1002.586447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.586447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.586447 (E_RNA)
where:
Base-Base interactions energy: -680.711
where: short stacking energy: -306.585
Base-Backbone interact. energy: -0.934
local terms energy: -320.941320
where:
bonds (distance) C4'-P energy: -61.456
bonds (distance) P-C4' energy: -65.464
flat angles C4'-P-C4' energy: -66.598
flat angles P-C4'-P energy: -40.492
tors. eta vs tors. theta energy: -86.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -973.154632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.154632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.154632 (E_RNA)
where:
Base-Base interactions energy: -692.614
where: short stacking energy: -274.056
Base-Backbone interact. energy: -2.199
local terms energy: -278.341942
where:
bonds (distance) C4'-P energy: -49.708
bonds (distance) P-C4' energy: -56.947
flat angles C4'-P-C4' energy: -65.663
flat angles P-C4'-P energy: -37.378
tors. eta vs tors. theta energy: -68.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -897.798175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.798175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.798175 (E_RNA)
where:
Base-Base interactions energy: -618.377
where: short stacking energy: -252.223
Base-Backbone interact. energy: 0.395
local terms energy: -279.816330
where:
bonds (distance) C4'-P energy: -55.775
bonds (distance) P-C4' energy: -66.402
flat angles C4'-P-C4' energy: -59.025
flat angles P-C4'-P energy: -35.715
tors. eta vs tors. theta energy: -62.899
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: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -707.274247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.274247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.274247 (E_RNA)
where:
Base-Base interactions energy: -463.022
where: short stacking energy: -218.904
Base-Backbone interact. energy: 0.003
local terms energy: -244.254584
where:
bonds (distance) C4'-P energy: -44.213
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -61.180
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -50.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -754.854832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.854832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.854832 (E_RNA)
where:
Base-Base interactions energy: -499.801
where: short stacking energy: -229.874
Base-Backbone interact. energy: 2.198
local terms energy: -257.251056
where:
bonds (distance) C4'-P energy: -49.493
bonds (distance) P-C4' energy: -44.153
flat angles C4'-P-C4' energy: -56.023
flat angles P-C4'-P energy: -44.106
tors. eta vs tors. theta energy: -63.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -607.339575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.339575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.339575 (E_RNA)
where:
Base-Base interactions energy: -373.704
where: short stacking energy: -168.791
Base-Backbone interact. energy: -0.371
local terms energy: -233.264798
where:
bonds (distance) C4'-P energy: -52.548
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -59.851
flat angles P-C4'-P energy: -38.999
tors. eta vs tors. theta energy: -28.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -483.682976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.682976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.682976 (E_RNA)
where:
Base-Base interactions energy: -275.985
where: short stacking energy: -147.537
Base-Backbone interact. energy: -1.534
local terms energy: -206.164649
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -46.560
flat angles C4'-P-C4' energy: -48.140
flat angles P-C4'-P energy: -35.259
tors. eta vs tors. theta energy: -27.611
Dist. restrs. and SS energy: 0.000 (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: 262
Temperature: 1.350000
Total energy: -489.618772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.618772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.618772 (E_RNA)
where:
Base-Base interactions energy: -305.062
where: short stacking energy: -126.901
Base-Backbone interact. energy: -1.152
local terms energy: -183.405131
where:
bonds (distance) C4'-P energy: -40.843
bonds (distance) P-C4' energy: -53.316
flat angles C4'-P-C4' energy: -48.731
flat angles P-C4'-P energy: -18.749
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1087.497052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.497052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.497052 (E_RNA)
where:
Base-Base interactions energy: -743.334
where: short stacking energy: -329.386
Base-Backbone interact. energy: -1.033
local terms energy: -343.130287
where:
bonds (distance) C4'-P energy: -60.271
bonds (distance) P-C4' energy: -63.328
flat angles C4'-P-C4' energy: -70.857
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: -99.605
Dist. restrs. and SS energy: 0.000 (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: 263
Temperature: 0.950000
Total energy: -1047.092659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.092659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.092659 (E_RNA)
where:
Base-Base interactions energy: -721.829
where: short stacking energy: -308.893
Base-Backbone interact. energy: -0.183
local terms energy: -325.080648
where:
bonds (distance) C4'-P energy: -62.395
bonds (distance) P-C4' energy: -62.491
flat angles C4'-P-C4' energy: -66.928
flat angles P-C4'-P energy: -45.451
tors. eta vs tors. theta energy: -87.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -982.032379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.032379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.032379 (E_RNA)
where:
Base-Base interactions energy: -663.920
where: short stacking energy: -302.237
Base-Backbone interact. energy: -1.119
local terms energy: -316.993501
where:
bonds (distance) C4'-P energy: -56.021
bonds (distance) P-C4' energy: -63.249
flat angles C4'-P-C4' energy: -64.968
flat angles P-C4'-P energy: -41.464
tors. eta vs tors. theta energy: -91.291
Dist. restrs. and SS energy: 0.000 (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: 263
Temperature: 1.050000
Total energy: -964.989651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.989651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.989651 (E_RNA)
where:
Base-Base interactions energy: -680.405
where: short stacking energy: -273.144
Base-Backbone interact. energy: 0.442
local terms energy: -285.026953
where:
bonds (distance) C4'-P energy: -52.486
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -69.912
flat angles P-C4'-P energy: -38.364
tors. eta vs tors. theta energy: -71.578
Dist. restrs. and SS energy: 0.000 (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: 263
Temperature: 1.100000
Total energy: -914.103870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.103870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.103870 (E_RNA)
where:
Base-Base interactions energy: -637.008
where: short stacking energy: -270.203
Base-Backbone interact. energy: -1.448
local terms energy: -275.647705
where:
bonds (distance) C4'-P energy: -46.121
bonds (distance) P-C4' energy: -53.770
flat angles C4'-P-C4' energy: -68.693
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -70.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -760.914352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.914352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.914352 (E_RNA)
where:
Base-Base interactions energy: -486.406
where: short stacking energy: -221.090
Base-Backbone interact. energy: -1.205
local terms energy: -273.303110
where:
bonds (distance) C4'-P energy: -55.947
bonds (distance) P-C4' energy: -50.390
flat angles C4'-P-C4' energy: -63.085
flat angles P-C4'-P energy: -45.788
tors. eta vs tors. theta energy: -58.093
Dist. restrs. and SS energy: 0.000 (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: 263
Temperature: 1.200000
Total energy: -731.328537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.328537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.328537 (E_RNA)
where:
Base-Base interactions energy: -487.288
where: short stacking energy: -226.349
Base-Backbone interact. energy: -0.636
local terms energy: -243.404900
where:
bonds (distance) C4'-P energy: -49.637
bonds (distance) P-C4' energy: -53.797
flat angles C4'-P-C4' energy: -52.411
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -46.645
Dist. restrs. and SS energy: 0.000 (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: 263
Temperature: 1.250000
Total energy: -613.404327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.404327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.404327 (E_RNA)
where:
Base-Base interactions energy: -401.633
where: short stacking energy: -181.958
Base-Backbone interact. energy: -1.118
local terms energy: -210.653016
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -64.098
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -38.508
Dist. restrs. and SS energy: 0.000 (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: 263
Temperature: 1.300000
Total energy: -567.863837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.863837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.863837 (E_RNA)
where:
Base-Base interactions energy: -334.402
where: short stacking energy: -157.763
Base-Backbone interact. energy: -0.712
local terms energy: -232.748884
where:
bonds (distance) C4'-P energy: -54.150
bonds (distance) P-C4' energy: -60.528
flat angles C4'-P-C4' energy: -45.941
flat angles P-C4'-P energy: -44.202
tors. eta vs tors. theta energy: -27.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -490.187874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.187874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.187874 (E_RNA)
where:
Base-Base interactions energy: -306.902
where: short stacking energy: -159.302
Base-Backbone interact. energy: -0.784
local terms energy: -182.501403
where:
bonds (distance) C4'-P energy: -36.929
bonds (distance) P-C4' energy: -48.399
flat angles C4'-P-C4' energy: -46.045
flat angles P-C4'-P energy: -27.323
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1092.525929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.525929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.525929 (E_RNA)
where:
Base-Base interactions energy: -738.012
where: short stacking energy: -330.011
Base-Backbone interact. energy: -0.748
local terms energy: -353.766575
where:
bonds (distance) C4'-P energy: -65.739
bonds (distance) P-C4' energy: -60.544
flat angles C4'-P-C4' energy: -71.822
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: -105.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1070.566761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.566761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.566761 (E_RNA)
where:
Base-Base interactions energy: -737.928
where: short stacking energy: -336.070
Base-Backbone interact. energy: -0.757
local terms energy: -331.882135
where:
bonds (distance) C4'-P energy: -57.968
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -66.467
flat angles P-C4'-P energy: -48.157
tors. eta vs tors. theta energy: -100.353
Dist. restrs. and SS energy: 0.000 (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: 264
Temperature: 1.000000
Total energy: -1016.473166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.473166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.473166 (E_RNA)
where:
Base-Base interactions energy: -695.256
where: short stacking energy: -269.180
Base-Backbone interact. energy: -0.466
local terms energy: -320.751529
where:
bonds (distance) C4'-P energy: -54.565
bonds (distance) P-C4' energy: -66.493
flat angles C4'-P-C4' energy: -72.855
flat angles P-C4'-P energy: -49.062
tors. eta vs tors. theta energy: -77.777
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: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -955.385525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.385525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.385525 (E_RNA)
where:
Base-Base interactions energy: -662.081
where: short stacking energy: -298.990
Base-Backbone interact. energy: -1.742
local terms energy: -291.562410
where:
bonds (distance) C4'-P energy: -52.174
bonds (distance) P-C4' energy: -49.839
flat angles C4'-P-C4' energy: -67.485
flat angles P-C4'-P energy: -42.050
tors. eta vs tors. theta energy: -80.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -885.280523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.280523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.280523 (E_RNA)
where:
Base-Base interactions energy: -595.007
where: short stacking energy: -246.119
Base-Backbone interact. energy: -1.490
local terms energy: -288.783550
where:
bonds (distance) C4'-P energy: -58.847
bonds (distance) P-C4' energy: -61.194
flat angles C4'-P-C4' energy: -58.709
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -72.006
Dist. restrs. and SS energy: 0.000 (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: 264
Temperature: 1.150000
Total energy: -748.496054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.496054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.496054 (E_RNA)
where:
Base-Base interactions energy: -498.980
where: short stacking energy: -228.898
Base-Backbone interact. energy: 0.348
local terms energy: -249.864215
where:
bonds (distance) C4'-P energy: -53.573
bonds (distance) P-C4' energy: -46.958
flat angles C4'-P-C4' energy: -54.676
flat angles P-C4'-P energy: -32.071
tors. eta vs tors. theta energy: -62.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -696.222852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.222852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.222852 (E_RNA)
where:
Base-Base interactions energy: -447.771
where: short stacking energy: -195.529
Base-Backbone interact. energy: -1.476
local terms energy: -246.976390
where:
bonds (distance) C4'-P energy: -53.504
bonds (distance) P-C4' energy: -60.007
flat angles C4'-P-C4' energy: -53.379
flat angles P-C4'-P energy: -38.765
tors. eta vs tors. theta energy: -41.321
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: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -615.569060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.569060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.569060 (E_RNA)
where:
Base-Base interactions energy: -399.793
where: short stacking energy: -189.299
Base-Backbone interact. energy: -1.037
local terms energy: -214.738411
where:
bonds (distance) C4'-P energy: -45.373
bonds (distance) P-C4' energy: -50.610
flat angles C4'-P-C4' energy: -54.809
flat angles P-C4'-P energy: -24.929
tors. eta vs tors. theta energy: -39.017
Dist. restrs. and SS energy: 0.000 (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: 264
Temperature: 1.300000
Total energy: -568.446188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.446188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.446188 (E_RNA)
where:
Base-Base interactions energy: -342.379
where: short stacking energy: -157.335
Base-Backbone interact. energy: -3.474
local terms energy: -222.592485
where:
bonds (distance) C4'-P energy: -52.160
bonds (distance) P-C4' energy: -60.332
flat angles C4'-P-C4' energy: -50.781
flat angles P-C4'-P energy: -35.993
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (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: 264
Temperature: 1.350000
Total energy: -489.964967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.964967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.964967 (E_RNA)
where:
Base-Base interactions energy: -294.536
where: short stacking energy: -136.918
Base-Backbone interact. energy: -0.688
local terms energy: -194.740956
where:
bonds (distance) C4'-P energy: -52.185
bonds (distance) P-C4' energy: -52.095
flat angles C4'-P-C4' energy: -39.936
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (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: 265
Temperature: 0.900000
Total energy: -1078.509939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.509939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.509939 (E_RNA)
where:
Base-Base interactions energy: -739.606
where: short stacking energy: -335.185
Base-Backbone interact. energy: -0.291
local terms energy: -338.613085
where:
bonds (distance) C4'-P energy: -58.958
bonds (distance) P-C4' energy: -56.270
flat angles C4'-P-C4' energy: -76.487
flat angles P-C4'-P energy: -43.896
tors. eta vs tors. theta energy: -103.002
Dist. restrs. and SS energy: 0.000 (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: 265
Temperature: 0.950000
Total energy: -1042.089645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.089645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.089645 (E_RNA)
where:
Base-Base interactions energy: -708.193
where: short stacking energy: -317.991
Base-Backbone interact. energy: -0.603
local terms energy: -333.294069
where:
bonds (distance) C4'-P energy: -61.336
bonds (distance) P-C4' energy: -61.519
flat angles C4'-P-C4' energy: -67.792
flat angles P-C4'-P energy: -46.319
tors. eta vs tors. theta energy: -96.327
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: 3, replica: 2
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1026.894095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.894095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.894095 (E_RNA)
where:
Base-Base interactions energy: -717.033
where: short stacking energy: -286.411
Base-Backbone interact. energy: -1.826
local terms energy: -308.034888
where:
bonds (distance) C4'-P energy: -63.020
bonds (distance) P-C4' energy: -62.754
flat angles C4'-P-C4' energy: -63.509
flat angles P-C4'-P energy: -38.214
tors. eta vs tors. theta energy: -80.538
Dist. restrs. and SS energy: 0.000 (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: 265
Temperature: 1.050000
Total energy: -973.027040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.027040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.027040 (E_RNA)
where:
Base-Base interactions energy: -659.327
where: short stacking energy: -282.469
Base-Backbone interact. energy: -0.498
local terms energy: -313.202449
where:
bonds (distance) C4'-P energy: -53.834
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -63.773
flat angles P-C4'-P energy: -40.256
tors. eta vs tors. theta energy: -93.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -870.099881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.099881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.099881 (E_RNA)
where:
Base-Base interactions energy: -596.977
where: short stacking energy: -264.646
Base-Backbone interact. energy: 1.708
local terms energy: -274.830651
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -50.887
flat angles C4'-P-C4' energy: -61.060
flat angles P-C4'-P energy: -39.027
tors. eta vs tors. theta energy: -73.147
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: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -742.610345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.610345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.610345 (E_RNA)
where:
Base-Base interactions energy: -480.968
where: short stacking energy: -232.644
Base-Backbone interact. energy: -0.370
local terms energy: -261.272135
where:
bonds (distance) C4'-P energy: -47.328
bonds (distance) P-C4' energy: -63.594
flat angles C4'-P-C4' energy: -51.025
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -58.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -730.130858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.130858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.130858 (E_RNA)
where:
Base-Base interactions energy: -475.123
where: short stacking energy: -222.166
Base-Backbone interact. energy: 0.974
local terms energy: -255.981676
where:
bonds (distance) C4'-P energy: -53.710
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -53.711
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -57.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -584.519547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.519547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.519547 (E_RNA)
where:
Base-Base interactions energy: -379.414
where: short stacking energy: -178.705
Base-Backbone interact. energy: 3.301
local terms energy: -208.405950
where:
bonds (distance) C4'-P energy: -36.033
bonds (distance) P-C4' energy: -53.078
flat angles C4'-P-C4' energy: -52.207
flat angles P-C4'-P energy: -30.394
tors. eta vs tors. theta energy: -36.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -580.916012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.916012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.916012 (E_RNA)
where:
Base-Base interactions energy: -354.895
where: short stacking energy: -159.714
Base-Backbone interact. energy: 1.864
local terms energy: -227.885513
where:
bonds (distance) C4'-P energy: -56.689
bonds (distance) P-C4' energy: -54.542
flat angles C4'-P-C4' energy: -55.306
flat angles P-C4'-P energy: -30.678
tors. eta vs tors. theta energy: -30.670
Dist. restrs. and SS energy: 0.000 (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: 265
Temperature: 1.350000
Total energy: -477.934020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.934020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.934020 (E_RNA)
where:
Base-Base interactions energy: -294.426
where: short stacking energy: -161.779
Base-Backbone interact. energy: 2.294
local terms energy: -185.802149
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -44.721
flat angles C4'-P-C4' energy: -41.201
flat angles P-C4'-P energy: -29.085
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (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: 266
Temperature: 0.900000
Total energy: -1072.681104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.681104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.681104 (E_RNA)
where:
Base-Base interactions energy: -741.683
where: short stacking energy: -334.286
Base-Backbone interact. energy: -0.075
local terms energy: -330.923421
where:
bonds (distance) C4'-P energy: -55.882
bonds (distance) P-C4' energy: -69.016
flat angles C4'-P-C4' energy: -73.111
flat angles P-C4'-P energy: -38.260
tors. eta vs tors. theta energy: -94.655
Dist. restrs. and SS energy: 0.000 (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: 266
Temperature: 0.950000
Total energy: -1035.253896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.253896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.253896 (E_RNA)
where:
Base-Base interactions energy: -712.068
where: short stacking energy: -324.717
Base-Backbone interact. energy: -0.626
local terms energy: -322.559791
where:
bonds (distance) C4'-P energy: -55.595
bonds (distance) P-C4' energy: -57.351
flat angles C4'-P-C4' energy: -65.628
flat angles P-C4'-P energy: -50.105
tors. eta vs tors. theta energy: -93.881
Dist. restrs. and SS energy: 0.000 (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: 266
Temperature: 1.000000
Total energy: -996.584003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.584003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.584003 (E_RNA)
where:
Base-Base interactions energy: -693.565
where: short stacking energy: -285.208
Base-Backbone interact. energy: -2.437
local terms energy: -300.582766
where:
bonds (distance) C4'-P energy: -55.218
bonds (distance) P-C4' energy: -58.630
flat angles C4'-P-C4' energy: -62.721
flat angles P-C4'-P energy: -41.449
tors. eta vs tors. theta energy: -82.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -977.340274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.340274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.340274 (E_RNA)
where:
Base-Base interactions energy: -671.325
where: short stacking energy: -310.626
Base-Backbone interact. energy: -1.387
local terms energy: -304.628351
where:
bonds (distance) C4'-P energy: -62.347
bonds (distance) P-C4' energy: -54.546
flat angles C4'-P-C4' energy: -55.530
flat angles P-C4'-P energy: -46.028
tors. eta vs tors. theta energy: -86.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -874.514028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.514028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.514028 (E_RNA)
where:
Base-Base interactions energy: -592.441
where: short stacking energy: -252.858
Base-Backbone interact. energy: 0.824
local terms energy: -282.896960
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -62.021
flat angles C4'-P-C4' energy: -56.992
flat angles P-C4'-P energy: -46.793
tors. eta vs tors. theta energy: -63.744
Dist. restrs. and SS energy: 0.000 (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: 266
Temperature: 1.150000
Total energy: -721.972986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.972986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.972986 (E_RNA)
where:
Base-Base interactions energy: -466.336
where: short stacking energy: -216.797
Base-Backbone interact. energy: -0.898
local terms energy: -254.738149
where:
bonds (distance) C4'-P energy: -59.177
bonds (distance) P-C4' energy: -54.373
flat angles C4'-P-C4' energy: -62.079
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -51.759
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: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -779.570705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.570705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.570705 (E_RNA)
where:
Base-Base interactions energy: -515.567
where: short stacking energy: -254.357
Base-Backbone interact. energy: 0.897
local terms energy: -264.900648
where:
bonds (distance) C4'-P energy: -44.485
bonds (distance) P-C4' energy: -59.294
flat angles C4'-P-C4' energy: -51.670
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: -65.568
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: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -603.160975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.160975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.160975 (E_RNA)
where:
Base-Base interactions energy: -376.778
where: short stacking energy: -179.759
Base-Backbone interact. energy: -0.532
local terms energy: -225.851221
where:
bonds (distance) C4'-P energy: -49.871
bonds (distance) P-C4' energy: -46.135
flat angles C4'-P-C4' energy: -48.651
flat angles P-C4'-P energy: -42.333
tors. eta vs tors. theta energy: -38.860
Dist. restrs. and SS energy: 0.000 (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: 266
Temperature: 1.300000
Total energy: -487.650122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.650122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.650122 (E_RNA)
where:
Base-Base interactions energy: -284.149
where: short stacking energy: -156.127
Base-Backbone interact. energy: -0.027
local terms energy: -203.474694
where:
bonds (distance) C4'-P energy: -49.201
bonds (distance) P-C4' energy: -47.965
flat angles C4'-P-C4' energy: -50.279
flat angles P-C4'-P energy: -26.030
tors. eta vs tors. theta energy: -30.000
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: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -525.890981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.890981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.890981 (E_RNA)
where:
Base-Base interactions energy: -325.951
where: short stacking energy: -158.459
Base-Backbone interact. energy: 0.452
local terms energy: -200.392368
where:
bonds (distance) C4'-P energy: -53.680
bonds (distance) P-C4' energy: -52.399
flat angles C4'-P-C4' energy: -46.252
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -29.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1056.528444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.528444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.528444 (E_RNA)
where:
Base-Base interactions energy: -739.451
where: short stacking energy: -311.145
Base-Backbone interact. energy: -0.166
local terms energy: -316.910913
where:
bonds (distance) C4'-P energy: -58.862
bonds (distance) P-C4' energy: -61.428
flat angles C4'-P-C4' energy: -63.792
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -89.328
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: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1036.071563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.071563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.071563 (E_RNA)
where:
Base-Base interactions energy: -736.246
where: short stacking energy: -300.354
Base-Backbone interact. energy: -2.682
local terms energy: -297.143464
where:
bonds (distance) C4'-P energy: -50.481
bonds (distance) P-C4' energy: -59.791
flat angles C4'-P-C4' energy: -67.426
flat angles P-C4'-P energy: -40.896
tors. eta vs tors. theta energy: -78.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1040.180797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.180797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.180797 (E_RNA)
where:
Base-Base interactions energy: -713.462
where: short stacking energy: -310.511
Base-Backbone interact. energy: -0.742
local terms energy: -325.976965
where:
bonds (distance) C4'-P energy: -54.719
bonds (distance) P-C4' energy: -62.095
flat angles C4'-P-C4' energy: -65.605
flat angles P-C4'-P energy: -47.284
tors. eta vs tors. theta energy: -96.274
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: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -955.807882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.807882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.807882 (E_RNA)
where:
Base-Base interactions energy: -660.230
where: short stacking energy: -271.075
Base-Backbone interact. energy: -1.240
local terms energy: -294.337361
where:
bonds (distance) C4'-P energy: -57.446
bonds (distance) P-C4' energy: -59.467
flat angles C4'-P-C4' energy: -57.564
flat angles P-C4'-P energy: -38.527
tors. eta vs tors. theta energy: -81.334
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: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -882.445679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.445679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.445679 (E_RNA)
where:
Base-Base interactions energy: -599.577
where: short stacking energy: -254.291
Base-Backbone interact. energy: -0.671
local terms energy: -282.197745
where:
bonds (distance) C4'-P energy: -54.328
bonds (distance) P-C4' energy: -53.312
flat angles C4'-P-C4' energy: -58.434
flat angles P-C4'-P energy: -47.147
tors. eta vs tors. theta energy: -68.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -756.377056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.377056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.377056 (E_RNA)
where:
Base-Base interactions energy: -488.530
where: short stacking energy: -233.873
Base-Backbone interact. energy: 0.215
local terms energy: -268.061945
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -59.371
flat angles C4'-P-C4' energy: -53.001
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -70.595
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: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -692.596946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.596946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.596946 (E_RNA)
where:
Base-Base interactions energy: -451.243
where: short stacking energy: -195.694
Base-Backbone interact. energy: 0.841
local terms energy: -242.194394
where:
bonds (distance) C4'-P energy: -49.836
bonds (distance) P-C4' energy: -48.696
flat angles C4'-P-C4' energy: -53.807
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -46.315
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: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -600.596745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.596745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.596745 (E_RNA)
where:
Base-Base interactions energy: -368.951
where: short stacking energy: -153.364
Base-Backbone interact. energy: -3.094
local terms energy: -228.551698
where:
bonds (distance) C4'-P energy: -49.378
bonds (distance) P-C4' energy: -56.276
flat angles C4'-P-C4' energy: -56.009
flat angles P-C4'-P energy: -39.620
tors. eta vs tors. theta energy: -27.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -520.341574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.341574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.341574 (E_RNA)
where:
Base-Base interactions energy: -323.217
where: short stacking energy: -150.490
Base-Backbone interact. energy: -2.253
local terms energy: -194.872057
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -50.079
flat angles C4'-P-C4' energy: -48.660
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -16.510
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: 10, replica: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -552.292937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.292937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.292937 (E_RNA)
where:
Base-Base interactions energy: -334.100
where: short stacking energy: -165.945
Base-Backbone interact. energy: -2.040
local terms energy: -216.152983
where:
bonds (distance) C4'-P energy: -54.794
bonds (distance) P-C4' energy: -47.982
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: -33.729
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: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1061.203722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.203722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.203722 (E_RNA)
where:
Base-Base interactions energy: -736.776
where: short stacking energy: -305.792
Base-Backbone interact. energy: -1.844
local terms energy: -322.583676
where:
bonds (distance) C4'-P energy: -62.785
bonds (distance) P-C4' energy: -66.899
flat angles C4'-P-C4' energy: -67.508
flat angles P-C4'-P energy: -43.864
tors. eta vs tors. theta energy: -81.528
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: 2, replica: 1
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1033.259290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.259290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.259290 (E_RNA)
where:
Base-Base interactions energy: -722.219
where: short stacking energy: -315.238
Base-Backbone interact. energy: -0.748
local terms energy: -310.292699
where:
bonds (distance) C4'-P energy: -60.378
bonds (distance) P-C4' energy: -60.412
flat angles C4'-P-C4' energy: -57.557
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -90.966
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: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1061.662504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.662504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.662504 (E_RNA)
where:
Base-Base interactions energy: -728.429
where: short stacking energy: -314.954
Base-Backbone interact. energy: 0.323
local terms energy: -333.556335
where:
bonds (distance) C4'-P energy: -53.437
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -67.541
flat angles P-C4'-P energy: -54.068
tors. eta vs tors. theta energy: -93.382
Dist. restrs. and SS energy: 0.000 (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: 268
Temperature: 1.050000
Total energy: -962.182221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.182221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.182221 (E_RNA)
where:
Base-Base interactions energy: -670.282
where: short stacking energy: -287.742
Base-Backbone interact. energy: -0.491
local terms energy: -291.408247
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -64.057
flat angles P-C4'-P energy: -34.194
tors. eta vs tors. theta energy: -80.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -887.460810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.460810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.460810 (E_RNA)
where:
Base-Base interactions energy: -602.207
where: short stacking energy: -264.430
Base-Backbone interact. energy: -1.703
local terms energy: -283.550630
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -63.472
flat angles C4'-P-C4' energy: -59.398
flat angles P-C4'-P energy: -38.166
tors. eta vs tors. theta energy: -69.356
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: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -760.547162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.547162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.547162 (E_RNA)
where:
Base-Base interactions energy: -487.259
where: short stacking energy: -220.382
Base-Backbone interact. energy: 0.176
local terms energy: -273.463799
where:
bonds (distance) C4'-P energy: -58.471
bonds (distance) P-C4' energy: -61.140
flat angles C4'-P-C4' energy: -60.578
flat angles P-C4'-P energy: -38.699
tors. eta vs tors. theta energy: -54.575
Dist. restrs. and SS energy: 0.000 (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: 268
Temperature: 1.200000
Total energy: -723.705983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.705983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.705983 (E_RNA)
where:
Base-Base interactions energy: -468.518
where: short stacking energy: -201.741
Base-Backbone interact. energy: -2.335
local terms energy: -252.853199
where:
bonds (distance) C4'-P energy: -51.575
bonds (distance) P-C4' energy: -59.584
flat angles C4'-P-C4' energy: -55.592
flat angles P-C4'-P energy: -35.827
tors. eta vs tors. theta energy: -50.275
Dist. restrs. and SS energy: 0.000 (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: 268
Temperature: 1.250000
Total energy: -605.245835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.245835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.245835 (E_RNA)
where:
Base-Base interactions energy: -380.755
where: short stacking energy: -191.043
Base-Backbone interact. energy: -1.036
local terms energy: -223.454231
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -46.161
flat angles C4'-P-C4' energy: -47.994
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -41.057
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: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -519.648306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.648306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.648306 (E_RNA)
where:
Base-Base interactions energy: -313.957
where: short stacking energy: -135.073
Base-Backbone interact. energy: -0.715
local terms energy: -204.976682
where:
bonds (distance) C4'-P energy: -53.239
bonds (distance) P-C4' energy: -48.800
flat angles C4'-P-C4' energy: -43.893
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -32.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -478.207485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.207485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.207485 (E_RNA)
where:
Base-Base interactions energy: -284.224
where: short stacking energy: -142.131
Base-Backbone interact. energy: -0.611
local terms energy: -193.372408
where:
bonds (distance) C4'-P energy: -39.094
bonds (distance) P-C4' energy: -59.434
flat angles C4'-P-C4' energy: -54.632
flat angles P-C4'-P energy: -28.979
tors. eta vs tors. theta energy: -11.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1060.915531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.915531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.915531 (E_RNA)
where:
Base-Base interactions energy: -739.828
where: short stacking energy: -301.614
Base-Backbone interact. energy: -1.016
local terms energy: -320.072080
where:
bonds (distance) C4'-P energy: -59.245
bonds (distance) P-C4' energy: -67.932
flat angles C4'-P-C4' energy: -63.255
flat angles P-C4'-P energy: -49.987
tors. eta vs tors. theta energy: -79.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1037.177227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.177227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.177227 (E_RNA)
where:
Base-Base interactions energy: -704.981
where: short stacking energy: -316.724
Base-Backbone interact. energy: -2.068
local terms energy: -330.127800
where:
bonds (distance) C4'-P energy: -57.078
bonds (distance) P-C4' energy: -56.659
flat angles C4'-P-C4' energy: -71.948
flat angles P-C4'-P energy: -47.226
tors. eta vs tors. theta energy: -97.217
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: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1008.143887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.143887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.143887 (E_RNA)
where:
Base-Base interactions energy: -684.422
where: short stacking energy: -298.608
Base-Backbone interact. energy: -1.072
local terms energy: -322.650591
where:
bonds (distance) C4'-P energy: -57.136
bonds (distance) P-C4' energy: -58.457
flat angles C4'-P-C4' energy: -65.679
flat angles P-C4'-P energy: -53.338
tors. eta vs tors. theta energy: -88.040
Dist. restrs. and SS energy: 0.000 (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: 269
Temperature: 1.050000
Total energy: -982.265935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.265935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.265935 (E_RNA)
where:
Base-Base interactions energy: -680.930
where: short stacking energy: -285.111
Base-Backbone interact. energy: -0.613
local terms energy: -300.723212
where:
bonds (distance) C4'-P energy: -45.714
bonds (distance) P-C4' energy: -55.733
flat angles C4'-P-C4' energy: -70.445
flat angles P-C4'-P energy: -49.074
tors. eta vs tors. theta energy: -79.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -886.498566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.498566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.498566 (E_RNA)
where:
Base-Base interactions energy: -599.153
where: short stacking energy: -257.770
Base-Backbone interact. energy: 1.028
local terms energy: -288.374046
where:
bonds (distance) C4'-P energy: -59.640
bonds (distance) P-C4' energy: -56.779
flat angles C4'-P-C4' energy: -65.594
flat angles P-C4'-P energy: -37.634
tors. eta vs tors. theta energy: -68.727
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: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -760.351398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.351398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.351398 (E_RNA)
where:
Base-Base interactions energy: -487.214
where: short stacking energy: -227.421
Base-Backbone interact. energy: -2.399
local terms energy: -270.738269
where:
bonds (distance) C4'-P energy: -51.578
bonds (distance) P-C4' energy: -53.428
flat angles C4'-P-C4' energy: -61.643
flat angles P-C4'-P energy: -41.739
tors. eta vs tors. theta energy: -62.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -728.216427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.216427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.216427 (E_RNA)
where:
Base-Base interactions energy: -478.675
where: short stacking energy: -225.499
Base-Backbone interact. energy: 1.567
local terms energy: -251.107568
where:
bonds (distance) C4'-P energy: -46.382
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -58.910
flat angles P-C4'-P energy: -34.945
tors. eta vs tors. theta energy: -58.318
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: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -616.125166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.125166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.125166 (E_RNA)
where:
Base-Base interactions energy: -386.390
where: short stacking energy: -184.773
Base-Backbone interact. energy: 0.094
local terms energy: -229.829460
where:
bonds (distance) C4'-P energy: -52.490
bonds (distance) P-C4' energy: -53.046
flat angles C4'-P-C4' energy: -54.971
flat angles P-C4'-P energy: -30.826
tors. eta vs tors. theta energy: -38.496
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: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -561.329691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.329691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.329691 (E_RNA)
where:
Base-Base interactions energy: -351.400
where: short stacking energy: -155.671
Base-Backbone interact. energy: 2.433
local terms energy: -212.362750
where:
bonds (distance) C4'-P energy: -45.701
bonds (distance) P-C4' energy: -49.977
flat angles C4'-P-C4' energy: -53.361
flat angles P-C4'-P energy: -30.604
tors. eta vs tors. theta energy: -32.720
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: 10, replica: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -471.600803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.600803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.600803 (E_RNA)
where:
Base-Base interactions energy: -277.663
where: short stacking energy: -144.421
Base-Backbone interact. energy: 0.955
local terms energy: -194.892765
where:
bonds (distance) C4'-P energy: -46.290
bonds (distance) P-C4' energy: -54.007
flat angles C4'-P-C4' energy: -46.652
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1063.104205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.104205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.104205 (E_RNA)
where:
Base-Base interactions energy: -737.480
where: short stacking energy: -313.618
Base-Backbone interact. energy: -0.332
local terms energy: -325.292683
where:
bonds (distance) C4'-P energy: -55.939
bonds (distance) P-C4' energy: -58.351
flat angles C4'-P-C4' energy: -69.331
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: -94.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1031.670668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.670668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.670668 (E_RNA)
where:
Base-Base interactions energy: -730.375
where: short stacking energy: -300.295
Base-Backbone interact. energy: 1.153
local terms energy: -302.448638
where:
bonds (distance) C4'-P energy: -63.324
bonds (distance) P-C4' energy: -51.977
flat angles C4'-P-C4' energy: -68.237
flat angles P-C4'-P energy: -41.849
tors. eta vs tors. theta energy: -77.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1050.655880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.655880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.655880 (E_RNA)
where:
Base-Base interactions energy: -733.825
where: short stacking energy: -313.861
Base-Backbone interact. energy: -1.520
local terms energy: -315.310128
where:
bonds (distance) C4'-P energy: -65.598
bonds (distance) P-C4' energy: -52.424
flat angles C4'-P-C4' energy: -63.372
flat angles P-C4'-P energy: -41.521
tors. eta vs tors. theta energy: -92.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -992.806541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.806541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.806541 (E_RNA)
where:
Base-Base interactions energy: -697.211
where: short stacking energy: -288.632
Base-Backbone interact. energy: -1.884
local terms energy: -293.712220
where:
bonds (distance) C4'-P energy: -45.502
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -63.472
flat angles P-C4'-P energy: -45.942
tors. eta vs tors. theta energy: -79.380
Dist. restrs. and SS energy: 0.000 (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: 270
Temperature: 1.100000
Total energy: -920.041643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.041643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.041643 (E_RNA)
where:
Base-Base interactions energy: -626.057
where: short stacking energy: -256.165
Base-Backbone interact. energy: -2.710
local terms energy: -291.275218
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -59.302
flat angles C4'-P-C4' energy: -65.304
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -84.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -784.089483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.089483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.089483 (E_RNA)
where:
Base-Base interactions energy: -505.821
where: short stacking energy: -220.827
Base-Backbone interact. energy: -1.922
local terms energy: -276.347116
where:
bonds (distance) C4'-P energy: -45.682
bonds (distance) P-C4' energy: -61.372
flat angles C4'-P-C4' energy: -61.801
flat angles P-C4'-P energy: -40.009
tors. eta vs tors. theta energy: -67.483
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: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -713.688134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.688134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.688134 (E_RNA)
where:
Base-Base interactions energy: -481.701
where: short stacking energy: -230.561
Base-Backbone interact. energy: -1.048
local terms energy: -230.939067
where:
bonds (distance) C4'-P energy: -42.525
bonds (distance) P-C4' energy: -47.681
flat angles C4'-P-C4' energy: -51.011
flat angles P-C4'-P energy: -32.617
tors. eta vs tors. theta energy: -57.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -608.494211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.494211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.494211 (E_RNA)
where:
Base-Base interactions energy: -381.640
where: short stacking energy: -198.900
Base-Backbone interact. energy: -1.656
local terms energy: -225.198247
where:
bonds (distance) C4'-P energy: -46.338
bonds (distance) P-C4' energy: -54.924
flat angles C4'-P-C4' energy: -53.801
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: 0.000 (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: 270
Temperature: 1.300000
Total energy: -578.604063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.604063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.604063 (E_RNA)
where:
Base-Base interactions energy: -367.093
where: short stacking energy: -175.850
Base-Backbone interact. energy: 0.434
local terms energy: -211.944869
where:
bonds (distance) C4'-P energy: -44.179
bonds (distance) P-C4' energy: -52.377
flat angles C4'-P-C4' energy: -49.459
flat angles P-C4'-P energy: -31.693
tors. eta vs tors. theta energy: -34.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -488.714872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.714872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.714872 (E_RNA)
where:
Base-Base interactions energy: -306.488
where: short stacking energy: -145.477
Base-Backbone interact. energy: -1.837
local terms energy: -180.390360
where:
bonds (distance) C4'-P energy: -45.837
bonds (distance) P-C4' energy: -40.942
flat angles C4'-P-C4' energy: -44.523
flat angles P-C4'-P energy: -29.676
tors. eta vs tors. theta energy: -19.412
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: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1074.014330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.014330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.014330 (E_RNA)
where:
Base-Base interactions energy: -736.518
where: short stacking energy: -338.324
Base-Backbone interact. energy: -0.377
local terms energy: -337.119625
where:
bonds (distance) C4'-P energy: -64.269
bonds (distance) P-C4' energy: -50.861
flat angles C4'-P-C4' energy: -68.668
flat angles P-C4'-P energy: -51.171
tors. eta vs tors. theta energy: -102.150
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: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1039.013448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.013448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.013448 (E_RNA)
where:
Base-Base interactions energy: -720.513
where: short stacking energy: -296.515
Base-Backbone interact. energy: -1.892
local terms energy: -316.607920
where:
bonds (distance) C4'-P energy: -62.398
bonds (distance) P-C4' energy: -63.077
flat angles C4'-P-C4' energy: -68.172
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -79.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1017.754070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.754070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.754070 (E_RNA)
where:
Base-Base interactions energy: -705.887
where: short stacking energy: -311.946
Base-Backbone interact. energy: -0.965
local terms energy: -310.901153
where:
bonds (distance) C4'-P energy: -63.225
bonds (distance) P-C4' energy: -52.544
flat angles C4'-P-C4' energy: -64.958
flat angles P-C4'-P energy: -42.732
tors. eta vs tors. theta energy: -87.442
Dist. restrs. and SS energy: 0.000 (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: 271
Temperature: 1.050000
Total energy: -989.211520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.211520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.211520 (E_RNA)
where:
Base-Base interactions energy: -680.135
where: short stacking energy: -300.850
Base-Backbone interact. energy: -0.226
local terms energy: -308.850625
where:
bonds (distance) C4'-P energy: -51.886
bonds (distance) P-C4' energy: -51.952
flat angles C4'-P-C4' energy: -68.736
flat angles P-C4'-P energy: -49.451
tors. eta vs tors. theta energy: -86.825
Dist. restrs. and SS energy: 0.000 (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: 271
Temperature: 1.100000
Total energy: -905.680405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.680405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.680405 (E_RNA)
where:
Base-Base interactions energy: -651.092
where: short stacking energy: -280.973
Base-Backbone interact. energy: -1.981
local terms energy: -252.607680
where:
bonds (distance) C4'-P energy: -46.343
bonds (distance) P-C4' energy: -40.867
flat angles C4'-P-C4' energy: -57.093
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -71.529
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: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -803.697377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.697377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.697377 (E_RNA)
where:
Base-Base interactions energy: -539.038
where: short stacking energy: -248.692
Base-Backbone interact. energy: -0.429
local terms energy: -264.230977
where:
bonds (distance) C4'-P energy: -46.460
bonds (distance) P-C4' energy: -58.271
flat angles C4'-P-C4' energy: -56.432
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -69.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -728.893613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.893613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.893613 (E_RNA)
where:
Base-Base interactions energy: -468.465
where: short stacking energy: -200.904
Base-Backbone interact. energy: -0.135
local terms energy: -260.293015
where:
bonds (distance) C4'-P energy: -48.980
bonds (distance) P-C4' energy: -69.632
flat angles C4'-P-C4' energy: -56.188
flat angles P-C4'-P energy: -39.592
tors. eta vs tors. theta energy: -45.901
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: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -618.439798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.439798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.439798 (E_RNA)
where:
Base-Base interactions energy: -392.264
where: short stacking energy: -171.890
Base-Backbone interact. energy: 0.361
local terms energy: -226.536460
where:
bonds (distance) C4'-P energy: -52.725
bonds (distance) P-C4' energy: -64.524
flat angles C4'-P-C4' energy: -53.751
flat angles P-C4'-P energy: -24.778
tors. eta vs tors. theta energy: -30.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -579.016426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.016426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.016426 (E_RNA)
where:
Base-Base interactions energy: -364.514
where: short stacking energy: -172.127
Base-Backbone interact. energy: 0.348
local terms energy: -214.850476
where:
bonds (distance) C4'-P energy: -50.474
bonds (distance) P-C4' energy: -56.998
flat angles C4'-P-C4' energy: -46.856
flat angles P-C4'-P energy: -28.913
tors. eta vs tors. theta energy: -31.610
Dist. restrs. and SS energy: 0.000 (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: 271
Temperature: 1.350000
Total energy: -478.333463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.333463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.333463 (E_RNA)
where:
Base-Base interactions energy: -280.704
where: short stacking energy: -127.538
Base-Backbone interact. energy: 0.837
local terms energy: -198.466622
where:
bonds (distance) C4'-P energy: -43.273
bonds (distance) P-C4' energy: -50.254
flat angles C4'-P-C4' energy: -47.441
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -29.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1066.836327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.836327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.836327 (E_RNA)
where:
Base-Base interactions energy: -742.605
where: short stacking energy: -335.346
Base-Backbone interact. energy: -0.088
local terms energy: -324.143152
where:
bonds (distance) C4'-P energy: -55.863
bonds (distance) P-C4' energy: -54.972
flat angles C4'-P-C4' energy: -70.616
flat angles P-C4'-P energy: -46.497
tors. eta vs tors. theta energy: -96.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1033.870882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.870882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.870882 (E_RNA)
where:
Base-Base interactions energy: -730.589
where: short stacking energy: -295.111
Base-Backbone interact. energy: -2.686
local terms energy: -300.595725
where:
bonds (distance) C4'-P energy: -58.624
bonds (distance) P-C4' energy: -56.111
flat angles C4'-P-C4' energy: -62.091
flat angles P-C4'-P energy: -47.775
tors. eta vs tors. theta energy: -75.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1015.916015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.916015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.916015 (E_RNA)
where:
Base-Base interactions energy: -704.077
where: short stacking energy: -313.059
Base-Backbone interact. energy: -1.245
local terms energy: -310.594515
where:
bonds (distance) C4'-P energy: -53.059
bonds (distance) P-C4' energy: -61.287
flat angles C4'-P-C4' energy: -66.689
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -86.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -989.130128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.130128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.130128 (E_RNA)
where:
Base-Base interactions energy: -680.677
where: short stacking energy: -285.695
Base-Backbone interact. energy: -0.022
local terms energy: -308.431068
where:
bonds (distance) C4'-P energy: -59.342
bonds (distance) P-C4' energy: -58.711
flat angles C4'-P-C4' energy: -62.737
flat angles P-C4'-P energy: -44.168
tors. eta vs tors. theta energy: -83.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -947.913309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.913309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.913309 (E_RNA)
where:
Base-Base interactions energy: -643.153
where: short stacking energy: -289.386
Base-Backbone interact. energy: -1.089
local terms energy: -303.671633
where:
bonds (distance) C4'-P energy: -58.597
bonds (distance) P-C4' energy: -53.294
flat angles C4'-P-C4' energy: -71.573
flat angles P-C4'-P energy: -38.796
tors. eta vs tors. theta energy: -81.412
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: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -792.835864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.835864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.835864 (E_RNA)
where:
Base-Base interactions energy: -519.395
where: short stacking energy: -229.093
Base-Backbone interact. energy: -0.439
local terms energy: -273.002049
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -53.319
flat angles C4'-P-C4' energy: -59.461
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -64.983
Dist. restrs. and SS energy: 0.000 (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: 272
Temperature: 1.200000
Total energy: -732.271054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.271054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.271054 (E_RNA)
where:
Base-Base interactions energy: -475.836
where: short stacking energy: -218.791
Base-Backbone interact. energy: -1.257
local terms energy: -255.178851
where:
bonds (distance) C4'-P energy: -55.026
bonds (distance) P-C4' energy: -50.983
flat angles C4'-P-C4' energy: -51.912
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -55.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -596.726548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.726548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.726548 (E_RNA)
where:
Base-Base interactions energy: -377.682
where: short stacking energy: -168.937
Base-Backbone interact. energy: 3.994
local terms energy: -223.038559
where:
bonds (distance) C4'-P energy: -53.719
bonds (distance) P-C4' energy: -55.873
flat angles C4'-P-C4' energy: -51.790
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -28.674
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: 9, replica: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -576.763843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.763843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.763843 (E_RNA)
where:
Base-Base interactions energy: -374.344
where: short stacking energy: -194.324
Base-Backbone interact. energy: 0.372
local terms energy: -202.791789
where:
bonds (distance) C4'-P energy: -42.730
bonds (distance) P-C4' energy: -53.183
flat angles C4'-P-C4' energy: -48.466
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -37.268
Dist. restrs. and SS energy: 0.000 (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: 272
Temperature: 1.350000
Total energy: -429.825261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.825261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.825261 (E_RNA)
where:
Base-Base interactions energy: -236.932
where: short stacking energy: -129.284
Base-Backbone interact. energy: -1.576
local terms energy: -191.316678
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -60.169
flat angles C4'-P-C4' energy: -45.601
flat angles P-C4'-P energy: -23.571
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1063.456114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.456114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.456114 (E_RNA)
where:
Base-Base interactions energy: -720.885
where: short stacking energy: -328.957
Base-Backbone interact. energy: 0.246
local terms energy: -342.817291
where:
bonds (distance) C4'-P energy: -55.577
bonds (distance) P-C4' energy: -61.746
flat angles C4'-P-C4' energy: -67.006
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -104.325
Dist. restrs. and SS energy: 0.000 (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: 273
Temperature: 0.950000
Total energy: -1048.914054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.914054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.914054 (E_RNA)
where:
Base-Base interactions energy: -700.540
where: short stacking energy: -294.352
Base-Backbone interact. energy: -1.929
local terms energy: -346.445521
where:
bonds (distance) C4'-P energy: -58.618
bonds (distance) P-C4' energy: -71.238
flat angles C4'-P-C4' energy: -73.914
flat angles P-C4'-P energy: -49.179
tors. eta vs tors. theta energy: -93.496
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: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1032.163897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.163897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.163897 (E_RNA)
where:
Base-Base interactions energy: -718.615
where: short stacking energy: -302.430
Base-Backbone interact. energy: -0.879
local terms energy: -312.669957
where:
bonds (distance) C4'-P energy: -58.382
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -72.334
flat angles P-C4'-P energy: -43.520
tors. eta vs tors. theta energy: -85.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -995.241316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.241316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.241316 (E_RNA)
where:
Base-Base interactions energy: -696.855
where: short stacking energy: -300.406
Base-Backbone interact. energy: -0.269
local terms energy: -298.117164
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -53.449
flat angles C4'-P-C4' energy: -58.371
flat angles P-C4'-P energy: -36.471
tors. eta vs tors. theta energy: -89.153
Dist. restrs. and SS energy: 0.000 (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: 273
Temperature: 1.100000
Total energy: -941.851843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.851843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.851843 (E_RNA)
where:
Base-Base interactions energy: -652.533
where: short stacking energy: -276.295
Base-Backbone interact. energy: -2.905
local terms energy: -286.414650
where:
bonds (distance) C4'-P energy: -65.136
bonds (distance) P-C4' energy: -42.468
flat angles C4'-P-C4' energy: -60.718
flat angles P-C4'-P energy: -40.171
tors. eta vs tors. theta energy: -77.921
Dist. restrs. and SS energy: 0.000 (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: 273
Temperature: 1.150000
Total energy: -823.170449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.170449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.170449 (E_RNA)
where:
Base-Base interactions energy: -546.995
where: short stacking energy: -255.454
Base-Backbone interact. energy: 0.053
local terms energy: -276.228518
where:
bonds (distance) C4'-P energy: -63.770
bonds (distance) P-C4' energy: -55.587
flat angles C4'-P-C4' energy: -51.172
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -73.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -735.732993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.732993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.732993 (E_RNA)
where:
Base-Base interactions energy: -480.099
where: short stacking energy: -232.120
Base-Backbone interact. energy: -0.869
local terms energy: -254.765158
where:
bonds (distance) C4'-P energy: -57.124
bonds (distance) P-C4' energy: -57.437
flat angles C4'-P-C4' energy: -55.186
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -58.702
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: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -591.963362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.963362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.963362 (E_RNA)
where:
Base-Base interactions energy: -368.650
where: short stacking energy: -185.421
Base-Backbone interact. energy: -0.082
local terms energy: -223.231577
where:
bonds (distance) C4'-P energy: -41.577
bonds (distance) P-C4' energy: -63.181
flat angles C4'-P-C4' energy: -54.871
flat angles P-C4'-P energy: -29.302
tors. eta vs tors. theta energy: -34.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -584.373666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.373666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.373666 (E_RNA)
where:
Base-Base interactions energy: -354.054
where: short stacking energy: -165.430
Base-Backbone interact. energy: -0.944
local terms energy: -229.375306
where:
bonds (distance) C4'-P energy: -47.633
bonds (distance) P-C4' energy: -55.039
flat angles C4'-P-C4' energy: -60.154
flat angles P-C4'-P energy: -28.655
tors. eta vs tors. theta energy: -37.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -382.247043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.247043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.247043 (E_RNA)
where:
Base-Base interactions energy: -206.531
where: short stacking energy: -118.165
Base-Backbone interact. energy: 0.485
local terms energy: -176.201318
where:
bonds (distance) C4'-P energy: -49.767
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -39.932
flat angles P-C4'-P energy: -29.936
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (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: 274
Temperature: 0.900000
Total energy: -1080.451451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.451451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.451451 (E_RNA)
where:
Base-Base interactions energy: -760.472
where: short stacking energy: -339.130
Base-Backbone interact. energy: 1.846
local terms energy: -321.825088
where:
bonds (distance) C4'-P energy: -54.916
bonds (distance) P-C4' energy: -57.556
flat angles C4'-P-C4' energy: -63.971
flat angles P-C4'-P energy: -52.152
tors. eta vs tors. theta energy: -93.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1052.560854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.560854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.560854 (E_RNA)
where:
Base-Base interactions energy: -719.784
where: short stacking energy: -334.493
Base-Backbone interact. energy: -0.479
local terms energy: -332.297814
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -61.612
flat angles C4'-P-C4' energy: -66.078
flat angles P-C4'-P energy: -49.834
tors. eta vs tors. theta energy: -98.287
Dist. restrs. and SS energy: 0.000 (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: 274
Temperature: 1.000000
Total energy: -1029.099461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.099461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.099461 (E_RNA)
where:
Base-Base interactions energy: -706.487
where: short stacking energy: -303.166
Base-Backbone interact. energy: -1.029
local terms energy: -321.583474
where:
bonds (distance) C4'-P energy: -58.299
bonds (distance) P-C4' energy: -65.815
flat angles C4'-P-C4' energy: -66.853
flat angles P-C4'-P energy: -45.141
tors. eta vs tors. theta energy: -85.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -995.143192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.143192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.143192 (E_RNA)
where:
Base-Base interactions energy: -701.634
where: short stacking energy: -292.151
Base-Backbone interact. energy: -1.549
local terms energy: -291.960360
where:
bonds (distance) C4'-P energy: -47.770
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -81.592
Dist. restrs. and SS energy: 0.000 (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: 274
Temperature: 1.100000
Total energy: -910.332480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.332480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.332480 (E_RNA)
where:
Base-Base interactions energy: -629.733
where: short stacking energy: -262.110
Base-Backbone interact. energy: -2.368
local terms energy: -278.231537
where:
bonds (distance) C4'-P energy: -52.225
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -76.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -801.000607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.000607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.000607 (E_RNA)
where:
Base-Base interactions energy: -532.632
where: short stacking energy: -246.320
Base-Backbone interact. energy: -0.450
local terms energy: -267.918705
where:
bonds (distance) C4'-P energy: -44.307
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -62.097
flat angles P-C4'-P energy: -41.233
tors. eta vs tors. theta energy: -68.885
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: 7, replica: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -727.233904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.233904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.233904 (E_RNA)
where:
Base-Base interactions energy: -471.589
where: short stacking energy: -224.936
Base-Backbone interact. energy: -0.428
local terms energy: -255.216947
where:
bonds (distance) C4'-P energy: -55.130
bonds (distance) P-C4' energy: -51.577
flat angles C4'-P-C4' energy: -63.025
flat angles P-C4'-P energy: -31.015
tors. eta vs tors. theta energy: -54.469
Dist. restrs. and SS energy: 0.000 (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: 274
Temperature: 1.250000
Total energy: -615.456036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.456036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.456036 (E_RNA)
where:
Base-Base interactions energy: -376.016
where: short stacking energy: -191.220
Base-Backbone interact. energy: -0.830
local terms energy: -238.609695
where:
bonds (distance) C4'-P energy: -53.298
bonds (distance) P-C4' energy: -46.586
flat angles C4'-P-C4' energy: -60.166
flat angles P-C4'-P energy: -28.017
tors. eta vs tors. theta energy: -50.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -546.187170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.187170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.187170 (E_RNA)
where:
Base-Base interactions energy: -331.371
where: short stacking energy: -157.969
Base-Backbone interact. energy: 0.953
local terms energy: -215.768945
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -53.857
flat angles C4'-P-C4' energy: -50.237
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (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: 274
Temperature: 1.350000
Total energy: -354.169005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.169005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.169005 (E_RNA)
where:
Base-Base interactions energy: -177.652
where: short stacking energy: -89.208
Base-Backbone interact. energy: -0.428
local terms energy: -176.088871
where:
bonds (distance) C4'-P energy: -54.713
bonds (distance) P-C4' energy: -39.744
flat angles C4'-P-C4' energy: -48.896
flat angles P-C4'-P energy: -25.023
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: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1065.840748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.840748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.840748 (E_RNA)
where:
Base-Base interactions energy: -751.550
where: short stacking energy: -320.323
Base-Backbone interact. energy: -1.297
local terms energy: -312.993672
where:
bonds (distance) C4'-P energy: -52.574
bonds (distance) P-C4' energy: -60.580
flat angles C4'-P-C4' energy: -64.914
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -91.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1049.661182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.661182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.661182 (E_RNA)
where:
Base-Base interactions energy: -741.155
where: short stacking energy: -315.409
Base-Backbone interact. energy: -1.390
local terms energy: -307.116859
where:
bonds (distance) C4'-P energy: -55.880
bonds (distance) P-C4' energy: -53.129
flat angles C4'-P-C4' energy: -65.637
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -84.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1042.354995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.354995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.354995 (E_RNA)
where:
Base-Base interactions energy: -716.751
where: short stacking energy: -330.578
Base-Backbone interact. energy: -0.654
local terms energy: -324.950333
where:
bonds (distance) C4'-P energy: -52.871
bonds (distance) P-C4' energy: -55.974
flat angles C4'-P-C4' energy: -68.043
flat angles P-C4'-P energy: -45.385
tors. eta vs tors. theta energy: -102.678
Dist. restrs. and SS energy: 0.000 (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: 275
Temperature: 1.050000
Total energy: -1017.010120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.010120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.010120 (E_RNA)
where:
Base-Base interactions energy: -716.513
where: short stacking energy: -292.754
Base-Backbone interact. energy: -1.945
local terms energy: -298.551438
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -58.412
flat angles C4'-P-C4' energy: -62.595
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -82.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -908.105506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.105506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.105506 (E_RNA)
where:
Base-Base interactions energy: -637.656
where: short stacking energy: -259.623
Base-Backbone interact. energy: -1.401
local terms energy: -269.048439
where:
bonds (distance) C4'-P energy: -51.815
bonds (distance) P-C4' energy: -47.538
flat angles C4'-P-C4' energy: -57.588
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -75.209
Dist. restrs. and SS energy: 0.000 (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: 275
Temperature: 1.150000
Total energy: -786.804756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.804756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.804756 (E_RNA)
where:
Base-Base interactions energy: -512.323
where: short stacking energy: -224.783
Base-Backbone interact. energy: 0.690
local terms energy: -275.172381
where:
bonds (distance) C4'-P energy: -53.567
bonds (distance) P-C4' energy: -69.066
flat angles C4'-P-C4' energy: -57.635
flat angles P-C4'-P energy: -35.657
tors. eta vs tors. theta energy: -59.246
Dist. restrs. and SS energy: 0.000 (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: 275
Temperature: 1.200000
Total energy: -722.411826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.411826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.411826 (E_RNA)
where:
Base-Base interactions energy: -468.338
where: short stacking energy: -215.672
Base-Backbone interact. energy: -1.026
local terms energy: -253.047176
where:
bonds (distance) C4'-P energy: -60.976
bonds (distance) P-C4' energy: -47.701
flat angles C4'-P-C4' energy: -53.423
flat angles P-C4'-P energy: -41.370
tors. eta vs tors. theta energy: -49.576
Dist. restrs. and SS energy: 0.000 (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: 275
Temperature: 1.250000
Total energy: -590.617873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.617873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.617873 (E_RNA)
where:
Base-Base interactions energy: -368.231
where: short stacking energy: -166.312
Base-Backbone interact. energy: -2.263
local terms energy: -220.123827
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -49.092
flat angles C4'-P-C4' energy: -52.373
flat angles P-C4'-P energy: -36.209
tors. eta vs tors. theta energy: -32.265
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: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -563.705127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.705127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.705127 (E_RNA)
where:
Base-Base interactions energy: -348.348
where: short stacking energy: -164.245
Base-Backbone interact. energy: 0.265
local terms energy: -215.622086
where:
bonds (distance) C4'-P energy: -50.093
bonds (distance) P-C4' energy: -46.274
flat angles C4'-P-C4' energy: -53.777
flat angles P-C4'-P energy: -35.048
tors. eta vs tors. theta energy: -30.431
Dist. restrs. and SS energy: 0.000 (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: 275
Temperature: 1.350000
Total energy: -357.451897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.451897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.451897 (E_RNA)
where:
Base-Base interactions energy: -174.351
where: short stacking energy: -108.639
Base-Backbone interact. energy: 0.475
local terms energy: -183.576346
where:
bonds (distance) C4'-P energy: -40.975
bonds (distance) P-C4' energy: -55.645
flat angles C4'-P-C4' energy: -50.519
flat angles P-C4'-P energy: -30.599
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1079.499773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.499773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.499773 (E_RNA)
where:
Base-Base interactions energy: -745.649
where: short stacking energy: -329.784
Base-Backbone interact. energy: -1.681
local terms energy: -332.168863
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -64.397
flat angles C4'-P-C4' energy: -68.497
flat angles P-C4'-P energy: -48.618
tors. eta vs tors. theta energy: -94.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1041.487501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.487501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.487501 (E_RNA)
where:
Base-Base interactions energy: -705.780
where: short stacking energy: -322.564
Base-Backbone interact. energy: -1.152
local terms energy: -334.555672
where:
bonds (distance) C4'-P energy: -62.431
bonds (distance) P-C4' energy: -55.884
flat angles C4'-P-C4' energy: -68.212
flat angles P-C4'-P energy: -52.742
tors. eta vs tors. theta energy: -95.287
Dist. restrs. and SS energy: 0.000 (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: 276
Temperature: 1.000000
Total energy: -1042.179482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.179482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.179482 (E_RNA)
where:
Base-Base interactions energy: -708.672
where: short stacking energy: -342.785
Base-Backbone interact. energy: -0.284
local terms energy: -333.222960
where:
bonds (distance) C4'-P energy: -58.677
bonds (distance) P-C4' energy: -60.573
flat angles C4'-P-C4' energy: -64.852
flat angles P-C4'-P energy: -48.239
tors. eta vs tors. theta energy: -100.883
Dist. restrs. and SS energy: 0.000 (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: 276
Temperature: 1.050000
Total energy: -982.467946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.467946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.467946 (E_RNA)
where:
Base-Base interactions energy: -685.124
where: short stacking energy: -273.245
Base-Backbone interact. energy: -0.318
local terms energy: -297.026097
where:
bonds (distance) C4'-P energy: -54.336
bonds (distance) P-C4' energy: -58.318
flat angles C4'-P-C4' energy: -71.161
flat angles P-C4'-P energy: -40.342
tors. eta vs tors. theta energy: -72.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -903.949560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.949560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.949560 (E_RNA)
where:
Base-Base interactions energy: -622.948
where: short stacking energy: -271.767
Base-Backbone interact. energy: -1.559
local terms energy: -279.442812
where:
bonds (distance) C4'-P energy: -44.094
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -66.517
flat angles P-C4'-P energy: -35.079
tors. eta vs tors. theta energy: -77.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -814.508388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.508388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.508388 (E_RNA)
where:
Base-Base interactions energy: -558.004
where: short stacking energy: -261.189
Base-Backbone interact. energy: -0.732
local terms energy: -255.771765
where:
bonds (distance) C4'-P energy: -48.601
bonds (distance) P-C4' energy: -56.718
flat angles C4'-P-C4' energy: -51.411
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -68.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -706.334419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.334419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.334419 (E_RNA)
where:
Base-Base interactions energy: -464.572
where: short stacking energy: -217.538
Base-Backbone interact. energy: -0.649
local terms energy: -241.113221
where:
bonds (distance) C4'-P energy: -41.728
bonds (distance) P-C4' energy: -43.382
flat angles C4'-P-C4' energy: -67.724
flat angles P-C4'-P energy: -39.477
tors. eta vs tors. theta energy: -48.803
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: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -588.009163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.009163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.009163 (E_RNA)
where:
Base-Base interactions energy: -386.715
where: short stacking energy: -188.095
Base-Backbone interact. energy: 1.207
local terms energy: -202.501394
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -41.430
flat angles C4'-P-C4' energy: -60.651
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: -34.250
Dist. restrs. and SS energy: 0.000 (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: 276
Temperature: 1.300000
Total energy: -539.296110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.296110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.296110 (E_RNA)
where:
Base-Base interactions energy: -337.219
where: short stacking energy: -160.091
Base-Backbone interact. energy: -0.131
local terms energy: -201.946027
where:
bonds (distance) C4'-P energy: -34.168
bonds (distance) P-C4' energy: -61.413
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -32.140
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -363.535869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.535869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.535869 (E_RNA)
where:
Base-Base interactions energy: -197.672
where: short stacking energy: -104.017
Base-Backbone interact. energy: -0.297
local terms energy: -165.566479
where:
bonds (distance) C4'-P energy: -25.462
bonds (distance) P-C4' energy: -48.938
flat angles C4'-P-C4' energy: -48.924
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1071.398852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.398852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.398852 (E_RNA)
where:
Base-Base interactions energy: -737.044
where: short stacking energy: -312.196
Base-Backbone interact. energy: -2.102
local terms energy: -332.252845
where:
bonds (distance) C4'-P energy: -62.163
bonds (distance) P-C4' energy: -54.629
flat angles C4'-P-C4' energy: -69.562
flat angles P-C4'-P energy: -49.385
tors. eta vs tors. theta energy: -96.514
Dist. restrs. and SS energy: 0.000 (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: 277
Temperature: 0.950000
Total energy: -1044.872978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.872978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.872978 (E_RNA)
where:
Base-Base interactions energy: -726.880
where: short stacking energy: -331.190
Base-Backbone interact. energy: -0.233
local terms energy: -317.759653
where:
bonds (distance) C4'-P energy: -61.888
bonds (distance) P-C4' energy: -57.993
flat angles C4'-P-C4' energy: -60.093
flat angles P-C4'-P energy: -39.856
tors. eta vs tors. theta energy: -97.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1028.603064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.603064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.603064 (E_RNA)
where:
Base-Base interactions energy: -707.596
where: short stacking energy: -312.815
Base-Backbone interact. energy: -1.201
local terms energy: -319.805440
where:
bonds (distance) C4'-P energy: -53.408
bonds (distance) P-C4' energy: -57.917
flat angles C4'-P-C4' energy: -71.775
flat angles P-C4'-P energy: -46.872
tors. eta vs tors. theta energy: -89.834
Dist. restrs. and SS energy: 0.000 (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: 277
Temperature: 1.050000
Total energy: -990.812922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.812922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.812922 (E_RNA)
where:
Base-Base interactions energy: -713.358
where: short stacking energy: -285.054
Base-Backbone interact. energy: 0.126
local terms energy: -277.581257
where:
bonds (distance) C4'-P energy: -48.093
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -62.268
flat angles P-C4'-P energy: -31.885
tors. eta vs tors. theta energy: -76.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -916.319588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.319588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.319588 (E_RNA)
where:
Base-Base interactions energy: -631.606
where: short stacking energy: -284.367
Base-Backbone interact. energy: -2.003
local terms energy: -282.710776
where:
bonds (distance) C4'-P energy: -49.769
bonds (distance) P-C4' energy: -55.883
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -71.702
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: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -790.282417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.282417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.282417 (E_RNA)
where:
Base-Base interactions energy: -522.795
where: short stacking energy: -228.332
Base-Backbone interact. energy: 1.160
local terms energy: -268.647325
where:
bonds (distance) C4'-P energy: -58.027
bonds (distance) P-C4' energy: -57.442
flat angles C4'-P-C4' energy: -58.514
flat angles P-C4'-P energy: -36.723
tors. eta vs tors. theta energy: -57.942
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: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -733.656018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.656018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.656018 (E_RNA)
where:
Base-Base interactions energy: -479.219
where: short stacking energy: -197.220
Base-Backbone interact. energy: -1.011
local terms energy: -253.426181
where:
bonds (distance) C4'-P energy: -55.424
bonds (distance) P-C4' energy: -50.652
flat angles C4'-P-C4' energy: -54.862
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -55.921
Dist. restrs. and SS energy: 0.000 (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: 277
Temperature: 1.250000
Total energy: -571.840171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.840171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.840171 (E_RNA)
where:
Base-Base interactions energy: -350.312
where: short stacking energy: -174.244
Base-Backbone interact. energy: -1.453
local terms energy: -220.074939
where:
bonds (distance) C4'-P energy: -59.487
bonds (distance) P-C4' energy: -46.611
flat angles C4'-P-C4' energy: -40.772
flat angles P-C4'-P energy: -34.511
tors. eta vs tors. theta energy: -38.693
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: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -569.240780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.240780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.240780 (E_RNA)
where:
Base-Base interactions energy: -371.697
where: short stacking energy: -167.269
Base-Backbone interact. energy: -0.835
local terms energy: -196.709142
where:
bonds (distance) C4'-P energy: -37.357
bonds (distance) P-C4' energy: -49.794
flat angles C4'-P-C4' energy: -54.243
flat angles P-C4'-P energy: -20.793
tors. eta vs tors. theta energy: -34.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -368.000470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.000470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.000470 (E_RNA)
where:
Base-Base interactions energy: -190.153
where: short stacking energy: -102.533
Base-Backbone interact. energy: -1.323
local terms energy: -176.524968
where:
bonds (distance) C4'-P energy: -56.090
bonds (distance) P-C4' energy: -55.292
flat angles C4'-P-C4' energy: -45.498
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1081.846130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.846130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.846130 (E_RNA)
where:
Base-Base interactions energy: -751.629
where: short stacking energy: -335.727
Base-Backbone interact. energy: -0.771
local terms energy: -329.445703
where:
bonds (distance) C4'-P energy: -59.460
bonds (distance) P-C4' energy: -62.496
flat angles C4'-P-C4' energy: -60.747
flat angles P-C4'-P energy: -49.976
tors. eta vs tors. theta energy: -96.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1064.800577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.800577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.800577 (E_RNA)
where:
Base-Base interactions energy: -732.964
where: short stacking energy: -330.804
Base-Backbone interact. energy: -1.239
local terms energy: -330.597252
where:
bonds (distance) C4'-P energy: -59.637
bonds (distance) P-C4' energy: -56.396
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -51.565
tors. eta vs tors. theta energy: -99.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1019.608111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.608111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.608111 (E_RNA)
where:
Base-Base interactions energy: -697.882
where: short stacking energy: -318.935
Base-Backbone interact. energy: 0.185
local terms energy: -321.911963
where:
bonds (distance) C4'-P energy: -52.976
bonds (distance) P-C4' energy: -57.258
flat angles C4'-P-C4' energy: -62.409
flat angles P-C4'-P energy: -52.995
tors. eta vs tors. theta energy: -96.275
Dist. restrs. and SS energy: 0.000 (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: 278
Temperature: 1.050000
Total energy: -977.287432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.287432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.287432 (E_RNA)
where:
Base-Base interactions energy: -706.866
where: short stacking energy: -282.250
Base-Backbone interact. energy: -1.793
local terms energy: -268.628107
where:
bonds (distance) C4'-P energy: -50.101
bonds (distance) P-C4' energy: -41.505
flat angles C4'-P-C4' energy: -61.965
flat angles P-C4'-P energy: -37.725
tors. eta vs tors. theta energy: -77.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -885.455942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.455942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.455942 (E_RNA)
where:
Base-Base interactions energy: -599.153
where: short stacking energy: -258.293
Base-Backbone interact. energy: -3.075
local terms energy: -283.228303
where:
bonds (distance) C4'-P energy: -53.950
bonds (distance) P-C4' energy: -64.070
flat angles C4'-P-C4' energy: -61.606
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -64.942
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: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -783.171088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.171088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.171088 (E_RNA)
where:
Base-Base interactions energy: -531.827
where: short stacking energy: -227.889
Base-Backbone interact. energy: 0.297
local terms energy: -251.640865
where:
bonds (distance) C4'-P energy: -45.586
bonds (distance) P-C4' energy: -47.659
flat angles C4'-P-C4' energy: -54.954
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -60.726
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: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -768.822034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.822034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.822034 (E_RNA)
where:
Base-Base interactions energy: -520.421
where: short stacking energy: -220.144
Base-Backbone interact. energy: -0.365
local terms energy: -248.036495
where:
bonds (distance) C4'-P energy: -52.175
bonds (distance) P-C4' energy: -52.566
flat angles C4'-P-C4' energy: -57.016
flat angles P-C4'-P energy: -35.692
tors. eta vs tors. theta energy: -50.588
Dist. restrs. and SS energy: 0.000 (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: 278
Temperature: 1.250000
Total energy: -587.844982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.844982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.844982 (E_RNA)
where:
Base-Base interactions energy: -381.214
where: short stacking energy: -164.928
Base-Backbone interact. energy: -0.518
local terms energy: -206.113694
where:
bonds (distance) C4'-P energy: -40.135
bonds (distance) P-C4' energy: -50.431
flat angles C4'-P-C4' energy: -52.569
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -31.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -594.189777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.189777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.189777 (E_RNA)
where:
Base-Base interactions energy: -360.506
where: short stacking energy: -183.398
Base-Backbone interact. energy: 0.135
local terms energy: -233.819359
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -59.593
flat angles C4'-P-C4' energy: -55.164
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -43.275
Dist. restrs. and SS energy: 0.000 (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: 278
Temperature: 1.350000
Total energy: -360.832715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.832715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.832715 (E_RNA)
where:
Base-Base interactions energy: -176.598
where: short stacking energy: -109.580
Base-Backbone interact. energy: 2.194
local terms energy: -186.428803
where:
bonds (distance) C4'-P energy: -51.354
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -43.151
flat angles P-C4'-P energy: -25.638
tors. eta vs tors. theta energy: -10.717
Dist. restrs. and SS energy: 0.000 (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: 279
Temperature: 0.900000
Total energy: -1071.191537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.191537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.191537 (E_RNA)
where:
Base-Base interactions energy: -730.366
where: short stacking energy: -325.794
Base-Backbone interact. energy: -1.907
local terms energy: -338.918813
where:
bonds (distance) C4'-P energy: -49.205
bonds (distance) P-C4' energy: -66.708
flat angles C4'-P-C4' energy: -72.500
flat angles P-C4'-P energy: -54.837
tors. eta vs tors. theta energy: -95.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1050.163658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.163658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.163658 (E_RNA)
where:
Base-Base interactions energy: -727.373
where: short stacking energy: -313.947
Base-Backbone interact. energy: -0.765
local terms energy: -322.025244
where:
bonds (distance) C4'-P energy: -56.820
bonds (distance) P-C4' energy: -55.582
flat angles C4'-P-C4' energy: -69.404
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: -94.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1047.309732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.309732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.309732 (E_RNA)
where:
Base-Base interactions energy: -721.277
where: short stacking energy: -327.065
Base-Backbone interact. energy: -0.104
local terms energy: -325.928036
where:
bonds (distance) C4'-P energy: -64.662
bonds (distance) P-C4' energy: -53.405
flat angles C4'-P-C4' energy: -70.731
flat angles P-C4'-P energy: -41.627
tors. eta vs tors. theta energy: -95.504
Dist. restrs. and SS energy: 0.000 (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: 279
Temperature: 1.050000
Total energy: -990.268321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.268321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.268321 (E_RNA)
where:
Base-Base interactions energy: -700.687
where: short stacking energy: -282.371
Base-Backbone interact. energy: 1.579
local terms energy: -291.160908
where:
bonds (distance) C4'-P energy: -46.928
bonds (distance) P-C4' energy: -55.655
flat angles C4'-P-C4' energy: -65.054
flat angles P-C4'-P energy: -48.687
tors. eta vs tors. theta energy: -74.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -891.166061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.166061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.166061 (E_RNA)
where:
Base-Base interactions energy: -616.952
where: short stacking energy: -266.575
Base-Backbone interact. energy: -1.832
local terms energy: -272.382245
where:
bonds (distance) C4'-P energy: -42.329
bonds (distance) P-C4' energy: -62.747
flat angles C4'-P-C4' energy: -57.074
flat angles P-C4'-P energy: -38.181
tors. eta vs tors. theta energy: -72.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -867.332834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.332834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.332834 (E_RNA)
where:
Base-Base interactions energy: -596.880
where: short stacking energy: -249.235
Base-Backbone interact. energy: -1.158
local terms energy: -269.295079
where:
bonds (distance) C4'-P energy: -56.623
bonds (distance) P-C4' energy: -49.868
flat angles C4'-P-C4' energy: -63.383
flat angles P-C4'-P energy: -37.764
tors. eta vs tors. theta energy: -61.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -754.818236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.818236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.818236 (E_RNA)
where:
Base-Base interactions energy: -514.971
where: short stacking energy: -220.419
Base-Backbone interact. energy: -0.423
local terms energy: -239.424334
where:
bonds (distance) C4'-P energy: -51.437
bonds (distance) P-C4' energy: -46.490
flat angles C4'-P-C4' energy: -54.000
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -58.265
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: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -572.462693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.462693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.462693 (E_RNA)
where:
Base-Base interactions energy: -372.859
where: short stacking energy: -186.489
Base-Backbone interact. energy: -0.681
local terms energy: -198.922469
where:
bonds (distance) C4'-P energy: -46.516
bonds (distance) P-C4' energy: -40.471
flat angles C4'-P-C4' energy: -56.097
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: -32.335
Dist. restrs. and SS energy: 0.000 (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: 279
Temperature: 1.300000
Total energy: -573.882634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.882634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.882634 (E_RNA)
where:
Base-Base interactions energy: -368.878
where: short stacking energy: -182.850
Base-Backbone interact. energy: -1.217
local terms energy: -203.787643
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -57.784
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -30.133
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (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: 279
Temperature: 1.350000
Total energy: -382.094948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.094948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.094948 (E_RNA)
where:
Base-Base interactions energy: -200.657
where: short stacking energy: -134.518
Base-Backbone interact. energy: 2.635
local terms energy: -184.072595
where:
bonds (distance) C4'-P energy: -53.434
bonds (distance) P-C4' energy: -44.359
flat angles C4'-P-C4' energy: -54.805
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1074.793094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.793094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.793094 (E_RNA)
where:
Base-Base interactions energy: -746.522
where: short stacking energy: -324.224
Base-Backbone interact. energy: -0.865
local terms energy: -327.405758
where:
bonds (distance) C4'-P energy: -59.588
bonds (distance) P-C4' energy: -57.413
flat angles C4'-P-C4' energy: -70.869
flat angles P-C4'-P energy: -48.340
tors. eta vs tors. theta energy: -91.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1053.847575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.847575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.847575 (E_RNA)
where:
Base-Base interactions energy: -725.902
where: short stacking energy: -321.434
Base-Backbone interact. energy: 0.535
local terms energy: -328.479998
where:
bonds (distance) C4'-P energy: -58.913
bonds (distance) P-C4' energy: -61.340
flat angles C4'-P-C4' energy: -68.338
flat angles P-C4'-P energy: -45.244
tors. eta vs tors. theta energy: -94.645
Dist. restrs. and SS energy: 0.000 (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: 280
Temperature: 1.000000
Total energy: -990.529115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.529115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.529115 (E_RNA)
where:
Base-Base interactions energy: -694.629
where: short stacking energy: -289.990
Base-Backbone interact. energy: -1.522
local terms energy: -294.378091
where:
bonds (distance) C4'-P energy: -53.705
bonds (distance) P-C4' energy: -62.238
flat angles C4'-P-C4' energy: -59.377
flat angles P-C4'-P energy: -36.875
tors. eta vs tors. theta energy: -82.184
Dist. restrs. and SS energy: 0.000 (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: 280
Temperature: 1.050000
Total energy: -1015.842181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.842181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.842181 (E_RNA)
where:
Base-Base interactions energy: -708.118
where: short stacking energy: -312.517
Base-Backbone interact. energy: -0.493
local terms energy: -307.230873
where:
bonds (distance) C4'-P energy: -55.697
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -46.007
tors. eta vs tors. theta energy: -87.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -882.811388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.811388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.811388 (E_RNA)
where:
Base-Base interactions energy: -593.733
where: short stacking energy: -255.901
Base-Backbone interact. energy: 1.720
local terms energy: -290.798887
where:
bonds (distance) C4'-P energy: -53.434
bonds (distance) P-C4' energy: -59.930
flat angles C4'-P-C4' energy: -65.149
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -74.854
Dist. restrs. and SS energy: 0.000 (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: 280
Temperature: 1.150000
Total energy: -878.094060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.094060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.094060 (E_RNA)
where:
Base-Base interactions energy: -600.994
where: short stacking energy: -264.633
Base-Backbone interact. energy: -1.428
local terms energy: -275.672131
where:
bonds (distance) C4'-P energy: -47.593
bonds (distance) P-C4' energy: -64.082
flat angles C4'-P-C4' energy: -59.687
flat angles P-C4'-P energy: -32.318
tors. eta vs tors. theta energy: -71.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -776.386643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.386643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.386643 (E_RNA)
where:
Base-Base interactions energy: -514.772
where: short stacking energy: -240.928
Base-Backbone interact. energy: -0.550
local terms energy: -261.064863
where:
bonds (distance) C4'-P energy: -41.399
bonds (distance) P-C4' energy: -52.236
flat angles C4'-P-C4' energy: -64.011
flat angles P-C4'-P energy: -34.997
tors. eta vs tors. theta energy: -68.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -580.360473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.360473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.360473 (E_RNA)
where:
Base-Base interactions energy: -352.224
where: short stacking energy: -176.523
Base-Backbone interact. energy: -0.497
local terms energy: -227.639942
where:
bonds (distance) C4'-P energy: -47.899
bonds (distance) P-C4' energy: -56.833
flat angles C4'-P-C4' energy: -51.756
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -38.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -554.522771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.522771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.522771 (E_RNA)
where:
Base-Base interactions energy: -368.388
where: short stacking energy: -148.694
Base-Backbone interact. energy: 0.160
local terms energy: -186.295054
where:
bonds (distance) C4'-P energy: -37.875
bonds (distance) P-C4' energy: -48.965
flat angles C4'-P-C4' energy: -50.909
flat angles P-C4'-P energy: -20.088
tors. eta vs tors. theta energy: -28.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -434.445295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.445295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.445295 (E_RNA)
where:
Base-Base interactions energy: -251.716
where: short stacking energy: -132.860
Base-Backbone interact. energy: 0.272
local terms energy: -183.001539
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -41.448
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -15.625
tors. eta vs tors. theta energy: -25.111
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: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1076.694649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.694649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.694649 (E_RNA)
where:
Base-Base interactions energy: -745.183
where: short stacking energy: -328.951
Base-Backbone interact. energy: -0.861
local terms energy: -330.650722
where:
bonds (distance) C4'-P energy: -53.549
bonds (distance) P-C4' energy: -62.597
flat angles C4'-P-C4' energy: -72.777
flat angles P-C4'-P energy: -44.507
tors. eta vs tors. theta energy: -97.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1055.514715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.514715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.514715 (E_RNA)
where:
Base-Base interactions energy: -737.597
where: short stacking energy: -326.174
Base-Backbone interact. energy: 0.029
local terms energy: -317.946681
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -55.811
flat angles C4'-P-C4' energy: -68.614
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -95.896
Dist. restrs. and SS energy: 0.000 (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: 281
Temperature: 1.000000
Total energy: -1014.561356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.561356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.561356 (E_RNA)
where:
Base-Base interactions energy: -718.772
where: short stacking energy: -294.211
Base-Backbone interact. energy: -0.282
local terms energy: -295.507292
where:
bonds (distance) C4'-P energy: -51.846
bonds (distance) P-C4' energy: -58.713
flat angles C4'-P-C4' energy: -63.484
flat angles P-C4'-P energy: -38.301
tors. eta vs tors. theta energy: -83.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -993.118443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.118443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.118443 (E_RNA)
where:
Base-Base interactions energy: -698.355
where: short stacking energy: -302.759
Base-Backbone interact. energy: -1.797
local terms energy: -292.966817
where:
bonds (distance) C4'-P energy: -42.210
bonds (distance) P-C4' energy: -56.748
flat angles C4'-P-C4' energy: -65.792
flat angles P-C4'-P energy: -42.738
tors. eta vs tors. theta energy: -85.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -912.467187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.467187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.467187 (E_RNA)
where:
Base-Base interactions energy: -633.791
where: short stacking energy: -269.800
Base-Backbone interact. energy: -0.195
local terms energy: -278.480591
where:
bonds (distance) C4'-P energy: -56.567
bonds (distance) P-C4' energy: -45.229
flat angles C4'-P-C4' energy: -62.116
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -71.456
Dist. restrs. and SS energy: 0.000 (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: 281
Temperature: 1.150000
Total energy: -858.677398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.677398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.677398 (E_RNA)
where:
Base-Base interactions energy: -593.739
where: short stacking energy: -261.589
Base-Backbone interact. energy: -1.331
local terms energy: -263.607368
where:
bonds (distance) C4'-P energy: -48.567
bonds (distance) P-C4' energy: -50.977
flat angles C4'-P-C4' energy: -59.885
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -69.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -837.847956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.847956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.847956 (E_RNA)
where:
Base-Base interactions energy: -571.670
where: short stacking energy: -270.532
Base-Backbone interact. energy: 0.946
local terms energy: -267.124020
where:
bonds (distance) C4'-P energy: -49.342
bonds (distance) P-C4' energy: -54.610
flat angles C4'-P-C4' energy: -60.128
flat angles P-C4'-P energy: -33.981
tors. eta vs tors. theta energy: -69.063
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: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -592.719766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.719766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.719766 (E_RNA)
where:
Base-Base interactions energy: -372.802
where: short stacking energy: -182.930
Base-Backbone interact. energy: 1.055
local terms energy: -220.973060
where:
bonds (distance) C4'-P energy: -44.328
bonds (distance) P-C4' energy: -47.040
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -43.956
tors. eta vs tors. theta energy: -38.389
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: 9, replica: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -572.667924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.667924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.667924 (E_RNA)
where:
Base-Base interactions energy: -343.847
where: short stacking energy: -162.403
Base-Backbone interact. energy: -0.509
local terms energy: -228.311929
where:
bonds (distance) C4'-P energy: -53.265
bonds (distance) P-C4' energy: -51.039
flat angles C4'-P-C4' energy: -57.740
flat angles P-C4'-P energy: -33.998
tors. eta vs tors. theta energy: -32.271
Dist. restrs. and SS energy: 0.000 (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: 281
Temperature: 1.350000
Total energy: -417.728220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.728220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.728220 (E_RNA)
where:
Base-Base interactions energy: -243.812
where: short stacking energy: -128.608
Base-Backbone interact. energy: -0.670
local terms energy: -173.246229
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -50.728
flat angles C4'-P-C4' energy: -55.072
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1086.462514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.462514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.462514 (E_RNA)
where:
Base-Base interactions energy: -762.943
where: short stacking energy: -333.349
Base-Backbone interact. energy: -0.650
local terms energy: -322.868669
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -62.366
flat angles C4'-P-C4' energy: -68.936
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -91.246
Dist. restrs. and SS energy: 0.000 (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: 282
Temperature: 0.950000
Total energy: -1060.720817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.720817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.720817 (E_RNA)
where:
Base-Base interactions energy: -727.899
where: short stacking energy: -324.517
Base-Backbone interact. energy: -0.357
local terms energy: -332.465351
where:
bonds (distance) C4'-P energy: -62.451
bonds (distance) P-C4' energy: -60.389
flat angles C4'-P-C4' energy: -73.172
flat angles P-C4'-P energy: -44.806
tors. eta vs tors. theta energy: -91.647
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: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1041.150693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.150693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.150693 (E_RNA)
where:
Base-Base interactions energy: -718.719
where: short stacking energy: -325.430
Base-Backbone interact. energy: -0.585
local terms energy: -321.847067
where:
bonds (distance) C4'-P energy: -59.870
bonds (distance) P-C4' energy: -57.734
flat angles C4'-P-C4' energy: -65.390
flat angles P-C4'-P energy: -42.331
tors. eta vs tors. theta energy: -96.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -965.378707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.378707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.378707 (E_RNA)
where:
Base-Base interactions energy: -699.511
where: short stacking energy: -283.226
Base-Backbone interact. energy: -0.879
local terms energy: -264.988326
where:
bonds (distance) C4'-P energy: -51.718
bonds (distance) P-C4' energy: -49.157
flat angles C4'-P-C4' energy: -62.090
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -63.697
Dist. restrs. and SS energy: 0.000 (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: 282
Temperature: 1.100000
Total energy: -898.490428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.490428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.490428 (E_RNA)
where:
Base-Base interactions energy: -617.357
where: short stacking energy: -250.548
Base-Backbone interact. energy: 0.548
local terms energy: -281.681632
where:
bonds (distance) C4'-P energy: -58.917
bonds (distance) P-C4' energy: -59.523
flat angles C4'-P-C4' energy: -57.855
flat angles P-C4'-P energy: -47.103
tors. eta vs tors. theta energy: -58.283
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: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -871.731555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.731555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.731555 (E_RNA)
where:
Base-Base interactions energy: -613.534
where: short stacking energy: -270.009
Base-Backbone interact. energy: 0.620
local terms energy: -258.817343
where:
bonds (distance) C4'-P energy: -46.733
bonds (distance) P-C4' energy: -47.834
flat angles C4'-P-C4' energy: -61.286
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -67.013
Dist. restrs. and SS energy: 0.000 (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: 282
Temperature: 1.200000
Total energy: -776.331440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.331440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.331440 (E_RNA)
where:
Base-Base interactions energy: -523.650
where: short stacking energy: -239.270
Base-Backbone interact. energy: 2.585
local terms energy: -255.266457
where:
bonds (distance) C4'-P energy: -50.453
bonds (distance) P-C4' energy: -51.423
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -39.103
tors. eta vs tors. theta energy: -60.003
Dist. restrs. and SS energy: 0.000 (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: 282
Temperature: 1.250000
Total energy: -606.175860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.175860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.175860 (E_RNA)
where:
Base-Base interactions energy: -386.044
where: short stacking energy: -173.597
Base-Backbone interact. energy: 3.660
local terms energy: -223.792525
where:
bonds (distance) C4'-P energy: -58.721
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -40.653
flat angles P-C4'-P energy: -41.893
tors. eta vs tors. theta energy: -27.158
Dist. restrs. and SS energy: 0.000 (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: 282
Temperature: 1.300000
Total energy: -568.068168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.068168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.068168 (E_RNA)
where:
Base-Base interactions energy: -351.826
where: short stacking energy: -169.386
Base-Backbone interact. energy: -0.465
local terms energy: -215.777374
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -49.689
flat angles C4'-P-C4' energy: -56.978
flat angles P-C4'-P energy: -28.582
tors. eta vs tors. theta energy: -26.875
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: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -446.110566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.110566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.110566 (E_RNA)
where:
Base-Base interactions energy: -271.583
where: short stacking energy: -127.605
Base-Backbone interact. energy: 3.276
local terms energy: -177.804365
where:
bonds (distance) C4'-P energy: -51.363
bonds (distance) P-C4' energy: -41.663
flat angles C4'-P-C4' energy: -53.909
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1086.469531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.469531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.469531 (E_RNA)
where:
Base-Base interactions energy: -749.557
where: short stacking energy: -327.428
Base-Backbone interact. energy: -0.903
local terms energy: -336.009644
where:
bonds (distance) C4'-P energy: -64.060
bonds (distance) P-C4' energy: -65.294
flat angles C4'-P-C4' energy: -67.617
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -92.385
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: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1043.245334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.245334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.245334 (E_RNA)
where:
Base-Base interactions energy: -722.964
where: short stacking energy: -322.377
Base-Backbone interact. energy: -0.375
local terms energy: -319.906356
where:
bonds (distance) C4'-P energy: -58.588
bonds (distance) P-C4' energy: -55.626
flat angles C4'-P-C4' energy: -64.335
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: -96.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1057.408433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.408433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.408433 (E_RNA)
where:
Base-Base interactions energy: -738.283
where: short stacking energy: -310.538
Base-Backbone interact. energy: -1.375
local terms energy: -317.750983
where:
bonds (distance) C4'-P energy: -59.655
bonds (distance) P-C4' energy: -62.964
flat angles C4'-P-C4' energy: -65.765
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: -90.003
Dist. restrs. and SS energy: 0.000 (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: 283
Temperature: 1.050000
Total energy: -928.809038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.809038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.809038 (E_RNA)
where:
Base-Base interactions energy: -649.436
where: short stacking energy: -285.771
Base-Backbone interact. energy: 0.094
local terms energy: -279.466638
where:
bonds (distance) C4'-P energy: -43.170
bonds (distance) P-C4' energy: -54.463
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -41.362
tors. eta vs tors. theta energy: -71.029
Dist. restrs. and SS energy: 0.000 (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: 283
Temperature: 1.100000
Total energy: -939.952417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.952417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.952417 (E_RNA)
where:
Base-Base interactions energy: -658.239
where: short stacking energy: -268.718
Base-Backbone interact. energy: -0.666
local terms energy: -281.047516
where:
bonds (distance) C4'-P energy: -50.746
bonds (distance) P-C4' energy: -53.894
flat angles C4'-P-C4' energy: -58.089
flat angles P-C4'-P energy: -42.280
tors. eta vs tors. theta energy: -76.038
Dist. restrs. and SS energy: 0.000 (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: 283
Temperature: 1.150000
Total energy: -874.820869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.820869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.820869 (E_RNA)
where:
Base-Base interactions energy: -606.129
where: short stacking energy: -259.698
Base-Backbone interact. energy: -1.654
local terms energy: -267.037360
where:
bonds (distance) C4'-P energy: -51.428
bonds (distance) P-C4' energy: -56.875
flat angles C4'-P-C4' energy: -58.034
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -65.730
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: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -757.882135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.882135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.882135 (E_RNA)
where:
Base-Base interactions energy: -498.767
where: short stacking energy: -240.900
Base-Backbone interact. energy: -0.310
local terms energy: -258.805245
where:
bonds (distance) C4'-P energy: -52.043
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -62.868
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -60.874
Dist. restrs. and SS energy: 0.000 (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: 283
Temperature: 1.250000
Total energy: -592.160392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.160392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.160392 (E_RNA)
where:
Base-Base interactions energy: -363.533
where: short stacking energy: -182.539
Base-Backbone interact. energy: -2.210
local terms energy: -226.417005
where:
bonds (distance) C4'-P energy: -64.143
bonds (distance) P-C4' energy: -51.145
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -558.875663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.875663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.875663 (E_RNA)
where:
Base-Base interactions energy: -337.017
where: short stacking energy: -136.824
Base-Backbone interact. energy: 0.687
local terms energy: -222.545622
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -35.152
tors. eta vs tors. theta energy: -22.965
Dist. restrs. and SS energy: 0.000 (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: 283
Temperature: 1.350000
Total energy: -589.455180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.455180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.455180 (E_RNA)
where:
Base-Base interactions energy: -373.246
where: short stacking energy: -161.409
Base-Backbone interact. energy: 0.538
local terms energy: -216.747446
where:
bonds (distance) C4'-P energy: -55.954
bonds (distance) P-C4' energy: -51.298
flat angles C4'-P-C4' energy: -42.751
flat angles P-C4'-P energy: -38.248
tors. eta vs tors. theta energy: -28.497
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: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1075.877546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.877546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.877546 (E_RNA)
where:
Base-Base interactions energy: -749.079
where: short stacking energy: -324.449
Base-Backbone interact. energy: -0.687
local terms energy: -326.111198
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -62.338
flat angles C4'-P-C4' energy: -67.918
flat angles P-C4'-P energy: -45.133
tors. eta vs tors. theta energy: -96.286
Dist. restrs. and SS energy: 0.000 (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: 284
Temperature: 0.950000
Total energy: -1054.742881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.742881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.742881 (E_RNA)
where:
Base-Base interactions energy: -728.824
where: short stacking energy: -323.952
Base-Backbone interact. energy: -1.797
local terms energy: -324.121980
where:
bonds (distance) C4'-P energy: -57.655
bonds (distance) P-C4' energy: -63.035
flat angles C4'-P-C4' energy: -65.639
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: -90.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1057.433306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.433306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.433306 (E_RNA)
where:
Base-Base interactions energy: -726.388
where: short stacking energy: -310.378
Base-Backbone interact. energy: -1.094
local terms energy: -329.951005
where:
bonds (distance) C4'-P energy: -59.840
bonds (distance) P-C4' energy: -63.189
flat angles C4'-P-C4' energy: -62.280
flat angles P-C4'-P energy: -52.465
tors. eta vs tors. theta energy: -92.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -925.171855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.171855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.171855 (E_RNA)
where:
Base-Base interactions energy: -628.960
where: short stacking energy: -278.634
Base-Backbone interact. energy: 0.223
local terms energy: -296.435274
where:
bonds (distance) C4'-P energy: -62.498
bonds (distance) P-C4' energy: -51.799
flat angles C4'-P-C4' energy: -70.128
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -71.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -911.746465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.746465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.746465 (E_RNA)
where:
Base-Base interactions energy: -644.586
where: short stacking energy: -267.481
Base-Backbone interact. energy: -1.014
local terms energy: -266.146145
where:
bonds (distance) C4'-P energy: -44.258
bonds (distance) P-C4' energy: -54.992
flat angles C4'-P-C4' energy: -65.756
flat angles P-C4'-P energy: -40.539
tors. eta vs tors. theta energy: -60.600
Dist. restrs. and SS energy: 0.000 (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: 284
Temperature: 1.150000
Total energy: -884.897999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.897999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.897999 (E_RNA)
where:
Base-Base interactions energy: -618.262
where: short stacking energy: -268.970
Base-Backbone interact. energy: -1.339
local terms energy: -265.297070
where:
bonds (distance) C4'-P energy: -67.819
bonds (distance) P-C4' energy: -47.607
flat angles C4'-P-C4' energy: -51.006
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: -70.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -778.307080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.307080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.307080 (E_RNA)
where:
Base-Base interactions energy: -519.519
where: short stacking energy: -214.212
Base-Backbone interact. energy: -0.039
local terms energy: -258.749690
where:
bonds (distance) C4'-P energy: -54.005
bonds (distance) P-C4' energy: -54.581
flat angles C4'-P-C4' energy: -51.792
flat angles P-C4'-P energy: -37.075
tors. eta vs tors. theta energy: -61.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -581.526868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.526868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.526868 (E_RNA)
where:
Base-Base interactions energy: -359.079
where: short stacking energy: -174.618
Base-Backbone interact. energy: -2.153
local terms energy: -220.294620
where:
bonds (distance) C4'-P energy: -58.435
bonds (distance) P-C4' energy: -39.668
flat angles C4'-P-C4' energy: -59.091
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -32.299
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: 9, replica: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -674.368591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.368591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.368591 (E_RNA)
where:
Base-Base interactions energy: -438.376
where: short stacking energy: -187.511
Base-Backbone interact. energy: 0.717
local terms energy: -236.709895
where:
bonds (distance) C4'-P energy: -40.596
bonds (distance) P-C4' energy: -57.786
flat angles C4'-P-C4' energy: -60.060
flat angles P-C4'-P energy: -34.359
tors. eta vs tors. theta energy: -43.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -531.738771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.738771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.738771 (E_RNA)
where:
Base-Base interactions energy: -330.987
where: short stacking energy: -155.085
Base-Backbone interact. energy: 1.140
local terms energy: -201.891151
where:
bonds (distance) C4'-P energy: -47.600
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -57.095
flat angles P-C4'-P energy: -29.948
tors. eta vs tors. theta energy: -22.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1076.001157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.001157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.001157 (E_RNA)
where:
Base-Base interactions energy: -734.373
where: short stacking energy: -331.432
Base-Backbone interact. energy: 2.673
local terms energy: -344.301775
where:
bonds (distance) C4'-P energy: -67.874
bonds (distance) P-C4' energy: -65.523
flat angles C4'-P-C4' energy: -74.674
flat angles P-C4'-P energy: -42.893
tors. eta vs tors. theta energy: -93.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1046.301293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.301293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.301293 (E_RNA)
where:
Base-Base interactions energy: -721.122
where: short stacking energy: -315.461
Base-Backbone interact. energy: -1.315
local terms energy: -323.863862
where:
bonds (distance) C4'-P energy: -63.267
bonds (distance) P-C4' energy: -60.374
flat angles C4'-P-C4' energy: -65.932
flat angles P-C4'-P energy: -43.415
tors. eta vs tors. theta energy: -90.876
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: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1030.098835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.098835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.098835 (E_RNA)
where:
Base-Base interactions energy: -713.758
where: short stacking energy: -308.099
Base-Backbone interact. energy: -1.416
local terms energy: -314.925201
where:
bonds (distance) C4'-P energy: -59.596
bonds (distance) P-C4' energy: -57.837
flat angles C4'-P-C4' energy: -63.589
flat angles P-C4'-P energy: -41.950
tors. eta vs tors. theta energy: -91.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -974.884117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.884117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.884117 (E_RNA)
where:
Base-Base interactions energy: -670.380
where: short stacking energy: -268.835
Base-Backbone interact. energy: -2.086
local terms energy: -302.418764
where:
bonds (distance) C4'-P energy: -57.588
bonds (distance) P-C4' energy: -53.855
flat angles C4'-P-C4' energy: -65.990
flat angles P-C4'-P energy: -51.873
tors. eta vs tors. theta energy: -73.113
Dist. restrs. and SS energy: 0.000 (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: 285
Temperature: 1.100000
Total energy: -894.228322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.228322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.228322 (E_RNA)
where:
Base-Base interactions energy: -610.569
where: short stacking energy: -260.754
Base-Backbone interact. energy: -0.459
local terms energy: -283.200178
where:
bonds (distance) C4'-P energy: -42.305
bonds (distance) P-C4' energy: -56.452
flat angles C4'-P-C4' energy: -63.263
flat angles P-C4'-P energy: -49.650
tors. eta vs tors. theta energy: -71.530
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: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -870.406544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.406544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.406544 (E_RNA)
where:
Base-Base interactions energy: -611.310
where: short stacking energy: -246.940
Base-Backbone interact. energy: -1.231
local terms energy: -257.865585
where:
bonds (distance) C4'-P energy: -40.499
bonds (distance) P-C4' energy: -58.742
flat angles C4'-P-C4' energy: -56.627
flat angles P-C4'-P energy: -39.788
tors. eta vs tors. theta energy: -62.211
Dist. restrs. and SS energy: 0.000 (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: 285
Temperature: 1.200000
Total energy: -756.360478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.360478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.360478 (E_RNA)
where:
Base-Base interactions energy: -499.848
where: short stacking energy: -222.796
Base-Backbone interact. energy: -0.768
local terms energy: -255.744154
where:
bonds (distance) C4'-P energy: -48.818
bonds (distance) P-C4' energy: -55.980
flat angles C4'-P-C4' energy: -54.003
flat angles P-C4'-P energy: -48.160
tors. eta vs tors. theta energy: -48.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -688.754708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.754708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.754708 (E_RNA)
where:
Base-Base interactions energy: -469.989
where: short stacking energy: -229.138
Base-Backbone interact. energy: 3.058
local terms energy: -221.823605
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -41.942
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -31.855
tors. eta vs tors. theta energy: -51.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -571.123223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.123223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.123223 (E_RNA)
where:
Base-Base interactions energy: -384.692
where: short stacking energy: -203.195
Base-Backbone interact. energy: 3.211
local terms energy: -189.641850
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -48.310
flat angles C4'-P-C4' energy: -43.580
flat angles P-C4'-P energy: -20.847
tors. eta vs tors. theta energy: -38.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -551.984265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.984265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.984265 (E_RNA)
where:
Base-Base interactions energy: -345.970
where: short stacking energy: -165.246
Base-Backbone interact. energy: -1.149
local terms energy: -204.865387
where:
bonds (distance) C4'-P energy: -47.954
bonds (distance) P-C4' energy: -53.265
flat angles C4'-P-C4' energy: -47.887
flat angles P-C4'-P energy: -28.872
tors. eta vs tors. theta energy: -26.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1074.456267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.456267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.456267 (E_RNA)
where:
Base-Base interactions energy: -755.289
where: short stacking energy: -322.355
Base-Backbone interact. energy: -1.189
local terms energy: -317.978837
where:
bonds (distance) C4'-P energy: -61.673
bonds (distance) P-C4' energy: -55.967
flat angles C4'-P-C4' energy: -68.555
flat angles P-C4'-P energy: -48.076
tors. eta vs tors. theta energy: -83.708
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: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1048.991930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.991930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.991930 (E_RNA)
where:
Base-Base interactions energy: -724.463
where: short stacking energy: -304.933
Base-Backbone interact. energy: -0.610
local terms energy: -323.918989
where:
bonds (distance) C4'-P energy: -54.171
bonds (distance) P-C4' energy: -53.405
flat angles C4'-P-C4' energy: -65.841
flat angles P-C4'-P energy: -56.865
tors. eta vs tors. theta energy: -93.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1035.957450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.957450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.957450 (E_RNA)
where:
Base-Base interactions energy: -718.276
where: short stacking energy: -320.050
Base-Backbone interact. energy: 1.430
local terms energy: -319.111908
where:
bonds (distance) C4'-P energy: -53.842
bonds (distance) P-C4' energy: -57.824
flat angles C4'-P-C4' energy: -69.706
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -94.991
Dist. restrs. and SS energy: 0.000 (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: 286
Temperature: 1.050000
Total energy: -981.811599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.811599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.811599 (E_RNA)
where:
Base-Base interactions energy: -692.040
where: short stacking energy: -289.470
Base-Backbone interact. energy: 0.132
local terms energy: -289.903457
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -45.944
flat angles C4'-P-C4' energy: -62.373
flat angles P-C4'-P energy: -48.825
tors. eta vs tors. theta energy: -82.438
Dist. restrs. and SS energy: 0.000 (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: 286
Temperature: 1.100000
Total energy: -916.987545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.987545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.987545 (E_RNA)
where:
Base-Base interactions energy: -645.411
where: short stacking energy: -290.654
Base-Backbone interact. energy: -1.057
local terms energy: -270.519592
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -53.503
flat angles P-C4'-P energy: -35.463
tors. eta vs tors. theta energy: -71.631
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: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -864.697156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.697156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.697156 (E_RNA)
where:
Base-Base interactions energy: -606.170
where: short stacking energy: -261.315
Base-Backbone interact. energy: 0.666
local terms energy: -259.192572
where:
bonds (distance) C4'-P energy: -43.539
bonds (distance) P-C4' energy: -48.582
flat angles C4'-P-C4' energy: -57.619
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -63.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -746.358607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.358607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.358607 (E_RNA)
where:
Base-Base interactions energy: -494.537
where: short stacking energy: -233.896
Base-Backbone interact. energy: 3.158
local terms energy: -254.979801
where:
bonds (distance) C4'-P energy: -50.978
bonds (distance) P-C4' energy: -57.585
flat angles C4'-P-C4' energy: -59.995
flat angles P-C4'-P energy: -26.894
tors. eta vs tors. theta energy: -59.528
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: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -683.074824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.074824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.074824 (E_RNA)
where:
Base-Base interactions energy: -467.283
where: short stacking energy: -206.594
Base-Backbone interact. energy: -1.824
local terms energy: -213.967642
where:
bonds (distance) C4'-P energy: -49.567
bonds (distance) P-C4' energy: -44.505
flat angles C4'-P-C4' energy: -53.075
flat angles P-C4'-P energy: -23.690
tors. eta vs tors. theta energy: -43.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -545.108688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.108688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.108688 (E_RNA)
where:
Base-Base interactions energy: -349.859
where: short stacking energy: -173.988
Base-Backbone interact. energy: -0.232
local terms energy: -195.017732
where:
bonds (distance) C4'-P energy: -39.371
bonds (distance) P-C4' energy: -49.496
flat angles C4'-P-C4' energy: -46.985
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -34.853
Dist. restrs. and SS energy: 0.000 (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: 286
Temperature: 1.350000
Total energy: -551.814091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.814091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.814091 (E_RNA)
where:
Base-Base interactions energy: -348.959
where: short stacking energy: -152.323
Base-Backbone interact. energy: -1.760
local terms energy: -201.095244
where:
bonds (distance) C4'-P energy: -53.632
bonds (distance) P-C4' energy: -43.949
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -33.508
tors. eta vs tors. theta energy: -21.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1079.899041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.899041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.899041 (E_RNA)
where:
Base-Base interactions energy: -755.993
where: short stacking energy: -337.895
Base-Backbone interact. energy: 0.829
local terms energy: -324.734897
where:
bonds (distance) C4'-P energy: -58.592
bonds (distance) P-C4' energy: -53.462
flat angles C4'-P-C4' energy: -62.835
flat angles P-C4'-P energy: -54.182
tors. eta vs tors. theta energy: -95.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1066.019973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.019973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.019973 (E_RNA)
where:
Base-Base interactions energy: -733.555
where: short stacking energy: -332.340
Base-Backbone interact. energy: -0.359
local terms energy: -332.105485
where:
bonds (distance) C4'-P energy: -60.921
bonds (distance) P-C4' energy: -54.908
flat angles C4'-P-C4' energy: -67.409
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -99.409
Dist. restrs. and SS energy: 0.000 (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: 287
Temperature: 1.000000
Total energy: -1005.004846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.004846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.004846 (E_RNA)
where:
Base-Base interactions energy: -702.466
where: short stacking energy: -305.642
Base-Backbone interact. energy: 0.720
local terms energy: -303.259217
where:
bonds (distance) C4'-P energy: -51.907
bonds (distance) P-C4' energy: -65.234
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -89.588
Dist. restrs. and SS energy: 0.000 (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: 287
Temperature: 1.050000
Total energy: -934.423887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.423887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.423887 (E_RNA)
where:
Base-Base interactions energy: -658.868
where: short stacking energy: -261.367
Base-Backbone interact. energy: -1.140
local terms energy: -274.416037
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -58.277
flat angles C4'-P-C4' energy: -62.093
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -65.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -923.664651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.664651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.664651 (E_RNA)
where:
Base-Base interactions energy: -668.866
where: short stacking energy: -262.534
Base-Backbone interact. energy: -0.877
local terms energy: -253.921576
where:
bonds (distance) C4'-P energy: -43.673
bonds (distance) P-C4' energy: -49.974
flat angles C4'-P-C4' energy: -56.079
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -68.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -872.942071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.942071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.942071 (E_RNA)
where:
Base-Base interactions energy: -607.989
where: short stacking energy: -263.885
Base-Backbone interact. energy: 0.273
local terms energy: -265.225561
where:
bonds (distance) C4'-P energy: -44.801
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -56.312
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: -71.767
Dist. restrs. and SS energy: 0.000 (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: 287
Temperature: 1.200000
Total energy: -753.892174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.892174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.892174 (E_RNA)
where:
Base-Base interactions energy: -493.874
where: short stacking energy: -217.302
Base-Backbone interact. energy: -0.359
local terms energy: -259.658988
where:
bonds (distance) C4'-P energy: -54.419
bonds (distance) P-C4' energy: -53.540
flat angles C4'-P-C4' energy: -58.816
flat angles P-C4'-P energy: -34.137
tors. eta vs tors. theta energy: -58.747
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: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -710.582891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.582891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.582891 (E_RNA)
where:
Base-Base interactions energy: -482.415
where: short stacking energy: -218.507
Base-Backbone interact. energy: 0.289
local terms energy: -228.456624
where:
bonds (distance) C4'-P energy: -39.548
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -35.885
tors. eta vs tors. theta energy: -42.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -552.929818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.929818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.929818 (E_RNA)
where:
Base-Base interactions energy: -347.315
where: short stacking energy: -176.557
Base-Backbone interact. energy: 0.484
local terms energy: -206.099246
where:
bonds (distance) C4'-P energy: -48.542
bonds (distance) P-C4' energy: -45.671
flat angles C4'-P-C4' energy: -53.988
flat angles P-C4'-P energy: -27.318
tors. eta vs tors. theta energy: -30.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -545.557984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.557984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.557984 (E_RNA)
where:
Base-Base interactions energy: -346.712
where: short stacking energy: -143.672
Base-Backbone interact. energy: 1.913
local terms energy: -200.759156
where:
bonds (distance) C4'-P energy: -47.362
bonds (distance) P-C4' energy: -51.541
flat angles C4'-P-C4' energy: -42.557
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -24.709
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: 1, replica: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1062.308967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.308967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.308967 (E_RNA)
where:
Base-Base interactions energy: -726.617
where: short stacking energy: -306.183
Base-Backbone interact. energy: -0.652
local terms energy: -335.039530
where:
bonds (distance) C4'-P energy: -59.572
bonds (distance) P-C4' energy: -58.180
flat angles C4'-P-C4' energy: -74.355
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -94.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1045.704370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.704370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.704370 (E_RNA)
where:
Base-Base interactions energy: -717.273
where: short stacking energy: -323.398
Base-Backbone interact. energy: -1.661
local terms energy: -326.771017
where:
bonds (distance) C4'-P energy: -60.945
bonds (distance) P-C4' energy: -65.729
flat angles C4'-P-C4' energy: -69.465
flat angles P-C4'-P energy: -39.625
tors. eta vs tors. theta energy: -91.006
Dist. restrs. and SS energy: 0.000 (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: 288
Temperature: 1.000000
Total energy: -1014.770007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.770007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.770007 (E_RNA)
where:
Base-Base interactions energy: -697.283
where: short stacking energy: -295.045
Base-Backbone interact. energy: -0.185
local terms energy: -317.302320
where:
bonds (distance) C4'-P energy: -60.719
bonds (distance) P-C4' energy: -56.859
flat angles C4'-P-C4' energy: -64.466
flat angles P-C4'-P energy: -43.129
tors. eta vs tors. theta energy: -92.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -928.604640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.604640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.604640 (E_RNA)
where:
Base-Base interactions energy: -632.089
where: short stacking energy: -276.689
Base-Backbone interact. energy: 0.205
local terms energy: -296.720601
where:
bonds (distance) C4'-P energy: -51.140
bonds (distance) P-C4' energy: -57.832
flat angles C4'-P-C4' energy: -67.604
flat angles P-C4'-P energy: -39.240
tors. eta vs tors. theta energy: -80.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -881.574558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.574558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.574558 (E_RNA)
where:
Base-Base interactions energy: -605.815
where: short stacking energy: -263.457
Base-Backbone interact. energy: 1.248
local terms energy: -277.008056
where:
bonds (distance) C4'-P energy: -56.185
bonds (distance) P-C4' energy: -55.823
flat angles C4'-P-C4' energy: -58.507
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -78.703
Dist. restrs. and SS energy: 0.000 (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: 288
Temperature: 1.150000
Total energy: -889.370178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.370178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.370178 (E_RNA)
where:
Base-Base interactions energy: -623.782
where: short stacking energy: -245.678
Base-Backbone interact. energy: -0.878
local terms energy: -264.709448
where:
bonds (distance) C4'-P energy: -54.654
bonds (distance) P-C4' energy: -58.184
flat angles C4'-P-C4' energy: -53.059
flat angles P-C4'-P energy: -33.860
tors. eta vs tors. theta energy: -64.953
Dist. restrs. and SS energy: 0.000 (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: 288
Temperature: 1.200000
Total energy: -731.424492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.424492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.424492 (E_RNA)
where:
Base-Base interactions energy: -487.562
where: short stacking energy: -226.113
Base-Backbone interact. energy: 1.152
local terms energy: -245.014932
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -56.444
flat angles C4'-P-C4' energy: -50.962
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -49.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -743.267231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.267231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.267231 (E_RNA)
where:
Base-Base interactions energy: -486.716
where: short stacking energy: -208.327
Base-Backbone interact. energy: -0.647
local terms energy: -255.904201
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -60.069
flat angles C4'-P-C4' energy: -56.918
flat angles P-C4'-P energy: -29.445
tors. eta vs tors. theta energy: -55.576
Dist. restrs. and SS energy: 0.000 (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: 288
Temperature: 1.300000
Total energy: -574.254445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.254445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.254445 (E_RNA)
where:
Base-Base interactions energy: -363.395
where: short stacking energy: -159.511
Base-Backbone interact. energy: -0.937
local terms energy: -209.922340
where:
bonds (distance) C4'-P energy: -48.556
bonds (distance) P-C4' energy: -44.226
flat angles C4'-P-C4' energy: -53.940
flat angles P-C4'-P energy: -38.038
tors. eta vs tors. theta energy: -25.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -585.679141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.679141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.679141 (E_RNA)
where:
Base-Base interactions energy: -371.459
where: short stacking energy: -191.302
Base-Backbone interact. energy: -0.148
local terms energy: -214.071969
where:
bonds (distance) C4'-P energy: -38.736
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -54.574
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -42.796
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: 1, replica: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1073.089490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.089490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.089490 (E_RNA)
where:
Base-Base interactions energy: -734.767
where: short stacking energy: -333.056
Base-Backbone interact. energy: -0.266
local terms energy: -338.056625
where:
bonds (distance) C4'-P energy: -64.997
bonds (distance) P-C4' energy: -65.175
flat angles C4'-P-C4' energy: -74.149
flat angles P-C4'-P energy: -41.624
tors. eta vs tors. theta energy: -92.112
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: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1050.670410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.670410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.670410 (E_RNA)
where:
Base-Base interactions energy: -723.754
where: short stacking energy: -317.167
Base-Backbone interact. energy: -0.128
local terms energy: -326.788362
where:
bonds (distance) C4'-P energy: -55.743
bonds (distance) P-C4' energy: -64.798
flat angles C4'-P-C4' energy: -60.713
flat angles P-C4'-P energy: -49.607
tors. eta vs tors. theta energy: -95.927
Dist. restrs. and SS energy: 0.000 (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: 289
Temperature: 1.000000
Total energy: -1006.755672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.755672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.755672 (E_RNA)
where:
Base-Base interactions energy: -711.241
where: short stacking energy: -301.082
Base-Backbone interact. energy: -1.048
local terms energy: -294.465851
where:
bonds (distance) C4'-P energy: -49.803
bonds (distance) P-C4' energy: -59.700
flat angles C4'-P-C4' energy: -67.259
flat angles P-C4'-P energy: -35.023
tors. eta vs tors. theta energy: -82.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -889.913819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.913819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.913819 (E_RNA)
where:
Base-Base interactions energy: -610.074
where: short stacking energy: -259.450
Base-Backbone interact. energy: -0.847
local terms energy: -278.992390
where:
bonds (distance) C4'-P energy: -53.754
bonds (distance) P-C4' energy: -55.582
flat angles C4'-P-C4' energy: -54.667
flat angles P-C4'-P energy: -45.154
tors. eta vs tors. theta energy: -69.836
Dist. restrs. and SS energy: 0.000 (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: 289
Temperature: 1.100000
Total energy: -895.014916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.014916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.014916 (E_RNA)
where:
Base-Base interactions energy: -609.881
where: short stacking energy: -263.246
Base-Backbone interact. energy: -0.143
local terms energy: -284.990251
where:
bonds (distance) C4'-P energy: -53.814
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -63.886
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -68.831
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: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -909.676500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.676500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.676500 (E_RNA)
where:
Base-Base interactions energy: -644.211
where: short stacking energy: -257.154
Base-Backbone interact. energy: -1.377
local terms energy: -264.089040
where:
bonds (distance) C4'-P energy: -49.191
bonds (distance) P-C4' energy: -61.701
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -30.127
tors. eta vs tors. theta energy: -69.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -742.646693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.646693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.646693 (E_RNA)
where:
Base-Base interactions energy: -500.921
where: short stacking energy: -218.659
Base-Backbone interact. energy: 0.113
local terms energy: -241.838258
where:
bonds (distance) C4'-P energy: -49.588
bonds (distance) P-C4' energy: -51.047
flat angles C4'-P-C4' energy: -55.963
flat angles P-C4'-P energy: -35.772
tors. eta vs tors. theta energy: -49.469
Dist. restrs. and SS energy: 0.000 (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: 289
Temperature: 1.250000
Total energy: -679.090229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.090229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.090229 (E_RNA)
where:
Base-Base interactions energy: -436.826
where: short stacking energy: -196.074
Base-Backbone interact. energy: 3.489
local terms energy: -245.753170
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -61.317
flat angles C4'-P-C4' energy: -48.276
flat angles P-C4'-P energy: -29.630
tors. eta vs tors. theta energy: -51.378
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: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -583.239025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.239025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.239025 (E_RNA)
where:
Base-Base interactions energy: -377.927
where: short stacking energy: -170.303
Base-Backbone interact. energy: -1.015
local terms energy: -204.297107
where:
bonds (distance) C4'-P energy: -47.140
bonds (distance) P-C4' energy: -49.876
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -23.334
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: 10, replica: 9
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -537.208494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.208494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.208494 (E_RNA)
where:
Base-Base interactions energy: -353.539
where: short stacking energy: -157.483
Base-Backbone interact. energy: -0.488
local terms energy: -183.181439
where:
bonds (distance) C4'-P energy: -45.445
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -36.559
flat angles P-C4'-P energy: -44.728
tors. eta vs tors. theta energy: -18.453
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: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1101.533066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.533066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.533066 (E_RNA)
where:
Base-Base interactions energy: -766.248
where: short stacking energy: -330.951
Base-Backbone interact. energy: -2.049
local terms energy: -333.236603
where:
bonds (distance) C4'-P energy: -61.312
bonds (distance) P-C4' energy: -60.705
flat angles C4'-P-C4' energy: -75.703
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -94.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1042.001292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.001292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.001292 (E_RNA)
where:
Base-Base interactions energy: -706.164
where: short stacking energy: -323.734
Base-Backbone interact. energy: -0.543
local terms energy: -335.293925
where:
bonds (distance) C4'-P energy: -64.051
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -44.426
tors. eta vs tors. theta energy: -101.425
Dist. restrs. and SS energy: 0.000 (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: 290
Temperature: 1.000000
Total energy: -1020.659226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.659226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.659226 (E_RNA)
where:
Base-Base interactions energy: -703.806
where: short stacking energy: -303.004
Base-Backbone interact. energy: 1.175
local terms energy: -318.028123
where:
bonds (distance) C4'-P energy: -55.439
bonds (distance) P-C4' energy: -64.564
flat angles C4'-P-C4' energy: -68.785
flat angles P-C4'-P energy: -44.822
tors. eta vs tors. theta energy: -84.418
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: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -899.673543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.673543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.673543 (E_RNA)
where:
Base-Base interactions energy: -614.186
where: short stacking energy: -274.807
Base-Backbone interact. energy: -2.034
local terms energy: -283.452869
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -59.196
flat angles C4'-P-C4' energy: -62.474
flat angles P-C4'-P energy: -38.396
tors. eta vs tors. theta energy: -73.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -931.548777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.548777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.548777 (E_RNA)
where:
Base-Base interactions energy: -652.668
where: short stacking energy: -261.223
Base-Backbone interact. energy: 0.611
local terms energy: -279.492261
where:
bonds (distance) C4'-P energy: -53.136
bonds (distance) P-C4' energy: -59.401
flat angles C4'-P-C4' energy: -62.481
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -66.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -883.236332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.236332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.236332 (E_RNA)
where:
Base-Base interactions energy: -610.598
where: short stacking energy: -248.247
Base-Backbone interact. energy: -1.806
local terms energy: -270.832121
where:
bonds (distance) C4'-P energy: -49.994
bonds (distance) P-C4' energy: -60.439
flat angles C4'-P-C4' energy: -61.136
flat angles P-C4'-P energy: -39.095
tors. eta vs tors. theta energy: -60.168
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: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -760.272923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.272923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.272923 (E_RNA)
where:
Base-Base interactions energy: -503.715
where: short stacking energy: -221.047
Base-Backbone interact. energy: 0.524
local terms energy: -257.081967
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -58.381
flat angles P-C4'-P energy: -37.189
tors. eta vs tors. theta energy: -57.183
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: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -651.672289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.672289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.672289 (E_RNA)
where:
Base-Base interactions energy: -405.563
where: short stacking energy: -196.097
Base-Backbone interact. energy: 6.115
local terms energy: -252.224272
where:
bonds (distance) C4'-P energy: -49.683
bonds (distance) P-C4' energy: -58.334
flat angles C4'-P-C4' energy: -55.865
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -47.546
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: 9
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -544.250240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.250240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.250240 (E_RNA)
where:
Base-Base interactions energy: -355.662
where: short stacking energy: -150.380
Base-Backbone interact. energy: -1.252
local terms energy: -187.336746
where:
bonds (distance) C4'-P energy: -41.686
bonds (distance) P-C4' energy: -49.666
flat angles C4'-P-C4' energy: -55.310
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -539.341176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.341176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.341176 (E_RNA)
where:
Base-Base interactions energy: -328.309
where: short stacking energy: -144.127
Base-Backbone interact. energy: -1.200
local terms energy: -209.832562
where:
bonds (distance) C4'-P energy: -56.694
bonds (distance) P-C4' energy: -39.743
flat angles C4'-P-C4' energy: -59.320
flat angles P-C4'-P energy: -31.835
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: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1065.577004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.577004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.577004 (E_RNA)
where:
Base-Base interactions energy: -736.299
where: short stacking energy: -310.544
Base-Backbone interact. energy: 0.291
local terms energy: -329.568410
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -62.754
flat angles C4'-P-C4' energy: -65.969
flat angles P-C4'-P energy: -52.779
tors. eta vs tors. theta energy: -91.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1045.193752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.193752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.193752 (E_RNA)
where:
Base-Base interactions energy: -705.234
where: short stacking energy: -323.723
Base-Backbone interact. energy: -0.560
local terms energy: -339.400206
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -65.059
flat angles C4'-P-C4' energy: -67.735
flat angles P-C4'-P energy: -51.594
tors. eta vs tors. theta energy: -96.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1021.361918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.361918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.361918 (E_RNA)
where:
Base-Base interactions energy: -720.234
where: short stacking energy: -308.175
Base-Backbone interact. energy: -0.403
local terms energy: -300.725404
where:
bonds (distance) C4'-P energy: -41.097
bonds (distance) P-C4' energy: -52.908
flat angles C4'-P-C4' energy: -68.373
flat angles P-C4'-P energy: -45.086
tors. eta vs tors. theta energy: -93.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -950.826960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.826960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.826960 (E_RNA)
where:
Base-Base interactions energy: -687.717
where: short stacking energy: -261.010
Base-Backbone interact. energy: -2.300
local terms energy: -260.810262
where:
bonds (distance) C4'-P energy: -53.370
bonds (distance) P-C4' energy: -52.877
flat angles C4'-P-C4' energy: -55.112
flat angles P-C4'-P energy: -36.382
tors. eta vs tors. theta energy: -63.070
Dist. restrs. and SS energy: 0.000 (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: 291
Temperature: 1.100000
Total energy: -867.548197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.548197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.548197 (E_RNA)
where:
Base-Base interactions energy: -595.905
where: short stacking energy: -239.967
Base-Backbone interact. energy: -1.670
local terms energy: -269.973956
where:
bonds (distance) C4'-P energy: -60.358
bonds (distance) P-C4' energy: -62.109
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -39.669
tors. eta vs tors. theta energy: -61.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -871.935917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.935917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.935917 (E_RNA)
where:
Base-Base interactions energy: -604.071
where: short stacking energy: -244.693
Base-Backbone interact. energy: -0.691
local terms energy: -267.174357
where:
bonds (distance) C4'-P energy: -54.185
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -64.800
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: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -730.052604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.052604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.052604 (E_RNA)
where:
Base-Base interactions energy: -490.494
where: short stacking energy: -214.733
Base-Backbone interact. energy: -0.762
local terms energy: -238.797475
where:
bonds (distance) C4'-P energy: -46.489
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -61.059
flat angles P-C4'-P energy: -29.448
tors. eta vs tors. theta energy: -53.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -608.237069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.237069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.237069 (E_RNA)
where:
Base-Base interactions energy: -384.395
where: short stacking energy: -184.210
Base-Backbone interact. energy: -0.599
local terms energy: -223.242934
where:
bonds (distance) C4'-P energy: -46.744
bonds (distance) P-C4' energy: -50.356
flat angles C4'-P-C4' energy: -53.208
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -37.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -485.363019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.363019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.363019 (E_RNA)
where:
Base-Base interactions energy: -298.932
where: short stacking energy: -131.053
Base-Backbone interact. energy: -1.084
local terms energy: -185.346869
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -53.616
flat angles C4'-P-C4' energy: -40.071
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (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: 291
Temperature: 1.350000
Total energy: -549.070842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.070842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.070842 (E_RNA)
where:
Base-Base interactions energy: -330.667
where: short stacking energy: -163.175
Base-Backbone interact. energy: -1.170
local terms energy: -217.233212
where:
bonds (distance) C4'-P energy: -46.005
bonds (distance) P-C4' energy: -57.465
flat angles C4'-P-C4' energy: -45.367
flat angles P-C4'-P energy: -37.644
tors. eta vs tors. theta energy: -30.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1077.473157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.473157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.473157 (E_RNA)
where:
Base-Base interactions energy: -727.566
where: short stacking energy: -317.452
Base-Backbone interact. energy: -0.730
local terms energy: -349.176792
where:
bonds (distance) C4'-P energy: -63.437
bonds (distance) P-C4' energy: -61.875
flat angles C4'-P-C4' energy: -72.914
flat angles P-C4'-P energy: -56.289
tors. eta vs tors. theta energy: -94.662
Dist. restrs. and SS energy: 0.000 (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: 292
Temperature: 0.950000
Total energy: -1036.795510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.795510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.795510 (E_RNA)
where:
Base-Base interactions energy: -706.488
where: short stacking energy: -318.983
Base-Backbone interact. energy: -0.537
local terms energy: -329.770996
where:
bonds (distance) C4'-P energy: -58.964
bonds (distance) P-C4' energy: -60.152
flat angles C4'-P-C4' energy: -69.482
flat angles P-C4'-P energy: -41.231
tors. eta vs tors. theta energy: -99.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1009.712412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.712412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.712412 (E_RNA)
where:
Base-Base interactions energy: -693.721
where: short stacking energy: -303.002
Base-Backbone interact. energy: -0.752
local terms energy: -315.239609
where:
bonds (distance) C4'-P energy: -54.592
bonds (distance) P-C4' energy: -58.195
flat angles C4'-P-C4' energy: -69.378
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: -87.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -972.542831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.542831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.542831 (E_RNA)
where:
Base-Base interactions energy: -702.702
where: short stacking energy: -278.448
Base-Backbone interact. energy: 0.163
local terms energy: -270.004143
where:
bonds (distance) C4'-P energy: -46.105
bonds (distance) P-C4' energy: -62.459
flat angles C4'-P-C4' energy: -62.811
flat angles P-C4'-P energy: -31.577
tors. eta vs tors. theta energy: -67.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -872.399297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.399297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.399297 (E_RNA)
where:
Base-Base interactions energy: -587.759
where: short stacking energy: -250.489
Base-Backbone interact. energy: -0.361
local terms energy: -284.279564
where:
bonds (distance) C4'-P energy: -60.146
bonds (distance) P-C4' energy: -52.046
flat angles C4'-P-C4' energy: -65.580
flat angles P-C4'-P energy: -46.530
tors. eta vs tors. theta energy: -59.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -829.176549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.176549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.176549 (E_RNA)
where:
Base-Base interactions energy: -549.140
where: short stacking energy: -260.369
Base-Backbone interact. energy: -0.819
local terms energy: -279.217450
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -60.056
flat angles C4'-P-C4' energy: -51.411
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: -61.794
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: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -724.666703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.666703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.666703 (E_RNA)
where:
Base-Base interactions energy: -469.530
where: short stacking energy: -206.965
Base-Backbone interact. energy: -1.603
local terms energy: -253.533734
where:
bonds (distance) C4'-P energy: -53.702
bonds (distance) P-C4' energy: -59.816
flat angles C4'-P-C4' energy: -50.122
flat angles P-C4'-P energy: -35.434
tors. eta vs tors. theta energy: -54.461
Dist. restrs. and SS energy: 0.000 (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: 292
Temperature: 1.250000
Total energy: -625.152743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.152743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.152743 (E_RNA)
where:
Base-Base interactions energy: -403.924
where: short stacking energy: -200.189
Base-Backbone interact. energy: 5.341
local terms energy: -226.569723
where:
bonds (distance) C4'-P energy: -50.391
bonds (distance) P-C4' energy: -47.198
flat angles C4'-P-C4' energy: -52.774
flat angles P-C4'-P energy: -39.590
tors. eta vs tors. theta energy: -36.617
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: 9, replica: 9
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -469.165527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.165527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.165527 (E_RNA)
where:
Base-Base interactions energy: -284.409
where: short stacking energy: -145.434
Base-Backbone interact. energy: 3.748
local terms energy: -188.504743
where:
bonds (distance) C4'-P energy: -58.451
bonds (distance) P-C4' energy: -48.409
flat angles C4'-P-C4' energy: -29.974
flat angles P-C4'-P energy: -38.448
tors. eta vs tors. theta energy: -13.222
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: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -537.345589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.345589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.345589 (E_RNA)
where:
Base-Base interactions energy: -339.376
where: short stacking energy: -152.897
Base-Backbone interact. energy: 0.675
local terms energy: -198.644103
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -53.015
flat angles C4'-P-C4' energy: -52.246
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1053.468934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.468934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.468934 (E_RNA)
where:
Base-Base interactions energy: -718.059
where: short stacking energy: -321.546
Base-Backbone interact. energy: -3.531
local terms energy: -331.879374
where:
bonds (distance) C4'-P energy: -58.984
bonds (distance) P-C4' energy: -63.074
flat angles C4'-P-C4' energy: -60.525
flat angles P-C4'-P energy: -55.131
tors. eta vs tors. theta energy: -94.166
Dist. restrs. and SS energy: 0.000 (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: 293
Temperature: 0.950000
Total energy: -1045.370461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.370461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.370461 (E_RNA)
where:
Base-Base interactions energy: -717.774
where: short stacking energy: -326.999
Base-Backbone interact. energy: -0.953
local terms energy: -326.643680
where:
bonds (distance) C4'-P energy: -62.020
bonds (distance) P-C4' energy: -61.622
flat angles C4'-P-C4' energy: -60.636
flat angles P-C4'-P energy: -45.419
tors. eta vs tors. theta energy: -96.947
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: 3, replica: 1
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1011.572166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.572166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.572166 (E_RNA)
where:
Base-Base interactions energy: -694.028
where: short stacking energy: -307.891
Base-Backbone interact. energy: -1.017
local terms energy: -316.527089
where:
bonds (distance) C4'-P energy: -58.367
bonds (distance) P-C4' energy: -59.848
flat angles C4'-P-C4' energy: -63.118
flat angles P-C4'-P energy: -46.260
tors. eta vs tors. theta energy: -88.936
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: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -957.456562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.456562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.456562 (E_RNA)
where:
Base-Base interactions energy: -686.956
where: short stacking energy: -270.176
Base-Backbone interact. energy: 1.617
local terms energy: -272.116863
where:
bonds (distance) C4'-P energy: -44.475
bonds (distance) P-C4' energy: -48.484
flat angles C4'-P-C4' energy: -60.096
flat angles P-C4'-P energy: -51.725
tors. eta vs tors. theta energy: -67.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -885.804343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.804343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.804343 (E_RNA)
where:
Base-Base interactions energy: -593.923
where: short stacking energy: -265.797
Base-Backbone interact. energy: -1.468
local terms energy: -290.413644
where:
bonds (distance) C4'-P energy: -59.405
bonds (distance) P-C4' energy: -64.510
flat angles C4'-P-C4' energy: -57.276
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -73.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -858.829400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.829400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.829400 (E_RNA)
where:
Base-Base interactions energy: -581.979
where: short stacking energy: -248.183
Base-Backbone interact. energy: 1.121
local terms energy: -277.971007
where:
bonds (distance) C4'-P energy: -53.078
bonds (distance) P-C4' energy: -60.462
flat angles C4'-P-C4' energy: -55.979
flat angles P-C4'-P energy: -40.584
tors. eta vs tors. theta energy: -67.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -734.205218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.205218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.205218 (E_RNA)
where:
Base-Base interactions energy: -492.112
where: short stacking energy: -221.924
Base-Backbone interact. energy: -0.984
local terms energy: -241.109098
where:
bonds (distance) C4'-P energy: -45.188
bonds (distance) P-C4' energy: -56.191
flat angles C4'-P-C4' energy: -52.478
flat angles P-C4'-P energy: -33.263
tors. eta vs tors. theta energy: -53.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -655.833166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.833166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.833166 (E_RNA)
where:
Base-Base interactions energy: -417.869
where: short stacking energy: -200.158
Base-Backbone interact. energy: 0.764
local terms energy: -238.728488
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -50.832
flat angles C4'-P-C4' energy: -53.047
flat angles P-C4'-P energy: -33.211
tors. eta vs tors. theta energy: -54.886
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: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -488.858613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.858613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.858613 (E_RNA)
where:
Base-Base interactions energy: -297.494
where: short stacking energy: -141.778
Base-Backbone interact. energy: -1.636
local terms energy: -189.728612
where:
bonds (distance) C4'-P energy: -45.904
bonds (distance) P-C4' energy: -47.723
flat angles C4'-P-C4' energy: -49.952
flat angles P-C4'-P energy: -25.220
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -538.318512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.318512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.318512 (E_RNA)
where:
Base-Base interactions energy: -337.286
where: short stacking energy: -153.593
Base-Backbone interact. energy: -2.095
local terms energy: -198.937400
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -50.471
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1061.158522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.158522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.158522 (E_RNA)
where:
Base-Base interactions energy: -717.790
where: short stacking energy: -308.781
Base-Backbone interact. energy: -1.998
local terms energy: -341.370248
where:
bonds (distance) C4'-P energy: -63.386
bonds (distance) P-C4' energy: -65.572
flat angles C4'-P-C4' energy: -67.985
flat angles P-C4'-P energy: -48.477
tors. eta vs tors. theta energy: -95.951
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: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1040.203413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.203413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.203413 (E_RNA)
where:
Base-Base interactions energy: -733.123
where: short stacking energy: -321.143
Base-Backbone interact. energy: -0.946
local terms energy: -306.133606
where:
bonds (distance) C4'-P energy: -42.492
bonds (distance) P-C4' energy: -57.509
flat angles C4'-P-C4' energy: -68.387
flat angles P-C4'-P energy: -46.323
tors. eta vs tors. theta energy: -91.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1017.144497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.144497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.144497 (E_RNA)
where:
Base-Base interactions energy: -701.976
where: short stacking energy: -311.008
Base-Backbone interact. energy: -0.895
local terms energy: -314.273454
where:
bonds (distance) C4'-P energy: -55.316
bonds (distance) P-C4' energy: -59.883
flat angles C4'-P-C4' energy: -65.124
flat angles P-C4'-P energy: -46.267
tors. eta vs tors. theta energy: -87.685
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: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -959.038520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.038520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.038520 (E_RNA)
where:
Base-Base interactions energy: -691.171
where: short stacking energy: -271.235
Base-Backbone interact. energy: -0.026
local terms energy: -267.841443
where:
bonds (distance) C4'-P energy: -54.868
bonds (distance) P-C4' energy: -57.917
flat angles C4'-P-C4' energy: -61.726
flat angles P-C4'-P energy: -28.339
tors. eta vs tors. theta energy: -64.990
Dist. restrs. and SS energy: 0.000 (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: 294
Temperature: 1.100000
Total energy: -916.560506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.560506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.560506 (E_RNA)
where:
Base-Base interactions energy: -632.614
where: short stacking energy: -280.275
Base-Backbone interact. energy: -0.640
local terms energy: -283.306377
where:
bonds (distance) C4'-P energy: -58.190
bonds (distance) P-C4' energy: -59.480
flat angles C4'-P-C4' energy: -57.896
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -78.672
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: 6, replica: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -863.752410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.752410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.752410 (E_RNA)
where:
Base-Base interactions energy: -596.320
where: short stacking energy: -249.993
Base-Backbone interact. energy: -1.170
local terms energy: -266.262094
where:
bonds (distance) C4'-P energy: -52.130
bonds (distance) P-C4' energy: -46.019
flat angles C4'-P-C4' energy: -61.535
flat angles P-C4'-P energy: -43.146
tors. eta vs tors. theta energy: -63.433
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: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -734.824393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.824393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.824393 (E_RNA)
where:
Base-Base interactions energy: -475.299
where: short stacking energy: -199.818
Base-Backbone interact. energy: -0.692
local terms energy: -258.833047
where:
bonds (distance) C4'-P energy: -55.480
bonds (distance) P-C4' energy: -53.115
flat angles C4'-P-C4' energy: -60.100
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -49.187
Dist. restrs. and SS energy: 0.000 (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: 294
Temperature: 1.250000
Total energy: -678.737464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.737464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.737464 (E_RNA)
where:
Base-Base interactions energy: -441.243
where: short stacking energy: -194.064
Base-Backbone interact. energy: -1.308
local terms energy: -236.185652
where:
bonds (distance) C4'-P energy: -53.478
bonds (distance) P-C4' energy: -60.993
flat angles C4'-P-C4' energy: -51.541
flat angles P-C4'-P energy: -30.291
tors. eta vs tors. theta energy: -39.883
Dist. restrs. and SS energy: 0.000 (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: 294
Temperature: 1.300000
Total energy: -559.058538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.058538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.058538 (E_RNA)
where:
Base-Base interactions energy: -343.840
where: short stacking energy: -152.283
Base-Backbone interact. energy: 0.271
local terms energy: -215.490055
where:
bonds (distance) C4'-P energy: -56.755
bonds (distance) P-C4' energy: -58.574
flat angles C4'-P-C4' energy: -45.062
flat angles P-C4'-P energy: -28.076
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (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: 294
Temperature: 1.350000
Total energy: -476.233653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.233653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.233653 (E_RNA)
where:
Base-Base interactions energy: -284.795
where: short stacking energy: -145.088
Base-Backbone interact. energy: -0.235
local terms energy: -191.203812
where:
bonds (distance) C4'-P energy: -50.806
bonds (distance) P-C4' energy: -49.719
flat angles C4'-P-C4' energy: -53.101
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -26.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1071.573720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.573720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.573720 (E_RNA)
where:
Base-Base interactions energy: -736.442
where: short stacking energy: -322.943
Base-Backbone interact. energy: -2.705
local terms energy: -332.426790
where:
bonds (distance) C4'-P energy: -55.906
bonds (distance) P-C4' energy: -68.602
flat angles C4'-P-C4' energy: -68.846
flat angles P-C4'-P energy: -53.382
tors. eta vs tors. theta energy: -85.692
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: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1023.071388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.071388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.071388 (E_RNA)
where:
Base-Base interactions energy: -714.485
where: short stacking energy: -311.563
Base-Backbone interact. energy: -0.580
local terms energy: -308.006618
where:
bonds (distance) C4'-P energy: -53.195
bonds (distance) P-C4' energy: -64.368
flat angles C4'-P-C4' energy: -64.556
flat angles P-C4'-P energy: -40.646
tors. eta vs tors. theta energy: -85.242
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: 3, replica: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1005.129239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.129239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.129239 (E_RNA)
where:
Base-Base interactions energy: -705.945
where: short stacking energy: -322.782
Base-Backbone interact. energy: -1.131
local terms energy: -298.052530
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -59.583
flat angles C4'-P-C4' energy: -70.111
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: 0.000 (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: 295
Temperature: 1.050000
Total energy: -978.335535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.335535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.335535 (E_RNA)
where:
Base-Base interactions energy: -684.000
where: short stacking energy: -282.394
Base-Backbone interact. energy: 0.478
local terms energy: -294.813997
where:
bonds (distance) C4'-P energy: -54.527
bonds (distance) P-C4' energy: -59.149
flat angles C4'-P-C4' energy: -59.409
flat angles P-C4'-P energy: -40.215
tors. eta vs tors. theta energy: -81.514
Dist. restrs. and SS energy: 0.000 (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: 295
Temperature: 1.100000
Total energy: -907.086331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.086331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.086331 (E_RNA)
where:
Base-Base interactions energy: -606.018
where: short stacking energy: -254.867
Base-Backbone interact. energy: -2.933
local terms energy: -298.135612
where:
bonds (distance) C4'-P energy: -57.160
bonds (distance) P-C4' energy: -66.125
flat angles C4'-P-C4' energy: -64.835
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -68.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -858.273471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.273471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.273471 (E_RNA)
where:
Base-Base interactions energy: -582.227
where: short stacking energy: -233.854
Base-Backbone interact. energy: 1.591
local terms energy: -277.637555
where:
bonds (distance) C4'-P energy: -53.448
bonds (distance) P-C4' energy: -61.243
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -66.427
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: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -717.095444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.095444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.095444 (E_RNA)
where:
Base-Base interactions energy: -469.487
where: short stacking energy: -217.218
Base-Backbone interact. energy: -1.407
local terms energy: -246.201324
where:
bonds (distance) C4'-P energy: -61.355
bonds (distance) P-C4' energy: -46.703
flat angles C4'-P-C4' energy: -49.010
flat angles P-C4'-P energy: -39.649
tors. eta vs tors. theta energy: -49.484
Dist. restrs. and SS energy: 0.000 (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: 295
Temperature: 1.250000
Total energy: -648.619845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.619845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.619845 (E_RNA)
where:
Base-Base interactions energy: -409.166
where: short stacking energy: -181.030
Base-Backbone interact. energy: -0.986
local terms energy: -238.467503
where:
bonds (distance) C4'-P energy: -47.509
bonds (distance) P-C4' energy: -56.617
flat angles C4'-P-C4' energy: -50.011
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -44.504
Dist. restrs. and SS energy: 0.000 (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: 295
Temperature: 1.300000
Total energy: -561.463708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.463708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.463708 (E_RNA)
where:
Base-Base interactions energy: -348.671
where: short stacking energy: -161.216
Base-Backbone interact. energy: 1.144
local terms energy: -213.937016
where:
bonds (distance) C4'-P energy: -54.961
bonds (distance) P-C4' energy: -55.387
flat angles C4'-P-C4' energy: -45.931
flat angles P-C4'-P energy: -28.667
tors. eta vs tors. theta energy: -28.991
Dist. restrs. and SS energy: 0.000 (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: 295
Temperature: 1.350000
Total energy: -470.191608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.191608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.191608 (E_RNA)
where:
Base-Base interactions energy: -270.677
where: short stacking energy: -123.949
Base-Backbone interact. energy: -0.159
local terms energy: -199.356218
where:
bonds (distance) C4'-P energy: -37.834
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -53.003
flat angles P-C4'-P energy: -31.775
tors. eta vs tors. theta energy: -23.839
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: 1, replica: 10
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1068.084856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.084856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.084856 (E_RNA)
where:
Base-Base interactions energy: -727.936
where: short stacking energy: -333.427
Base-Backbone interact. energy: -0.555
local terms energy: -339.594030
where:
bonds (distance) C4'-P energy: -61.912
bonds (distance) P-C4' energy: -56.345
flat angles C4'-P-C4' energy: -69.886
flat angles P-C4'-P energy: -52.341
tors. eta vs tors. theta energy: -99.111
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: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1038.394259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.394259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.394259 (E_RNA)
where:
Base-Base interactions energy: -720.857
where: short stacking energy: -311.625
Base-Backbone interact. energy: -2.258
local terms energy: -315.278811
where:
bonds (distance) C4'-P energy: -53.650
bonds (distance) P-C4' energy: -62.322
flat angles C4'-P-C4' energy: -61.892
flat angles P-C4'-P energy: -47.121
tors. eta vs tors. theta energy: -90.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1025.058192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.058192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.058192 (E_RNA)
where:
Base-Base interactions energy: -697.701
where: short stacking energy: -309.379
Base-Backbone interact. energy: -0.604
local terms energy: -326.753724
where:
bonds (distance) C4'-P energy: -54.584
bonds (distance) P-C4' energy: -56.681
flat angles C4'-P-C4' energy: -75.822
flat angles P-C4'-P energy: -48.509
tors. eta vs tors. theta energy: -91.158
Dist. restrs. and SS energy: 0.000 (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: 296
Temperature: 1.050000
Total energy: -966.654059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.654059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.654059 (E_RNA)
where:
Base-Base interactions energy: -674.167
where: short stacking energy: -283.953
Base-Backbone interact. energy: 0.860
local terms energy: -293.347260
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -55.387
flat angles C4'-P-C4' energy: -57.983
flat angles P-C4'-P energy: -48.268
tors. eta vs tors. theta energy: -78.831
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: 296
Temperature: 1.100000
Total energy: -901.925746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.925746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.925746 (E_RNA)
where:
Base-Base interactions energy: -636.249
where: short stacking energy: -281.420
Base-Backbone interact. energy: -0.697
local terms energy: -264.979541
where:
bonds (distance) C4'-P energy: -42.705
bonds (distance) P-C4' energy: -54.646
flat angles C4'-P-C4' energy: -63.741
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -71.439
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: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -881.607217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.607217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.607217 (E_RNA)
where:
Base-Base interactions energy: -605.951
where: short stacking energy: -251.981
Base-Backbone interact. energy: -2.032
local terms energy: -273.624277
where:
bonds (distance) C4'-P energy: -48.023
bonds (distance) P-C4' energy: -56.575
flat angles C4'-P-C4' energy: -66.907
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -61.750
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: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -739.060524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.060524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.060524 (E_RNA)
where:
Base-Base interactions energy: -506.288
where: short stacking energy: -236.034
Base-Backbone interact. energy: -1.229
local terms energy: -231.543520
where:
bonds (distance) C4'-P energy: -42.768
bonds (distance) P-C4' energy: -46.771
flat angles C4'-P-C4' energy: -56.573
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -51.140
Dist. restrs. and SS energy: 0.000 (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: 296
Temperature: 1.250000
Total energy: -631.172991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.172991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.172991 (E_RNA)
where:
Base-Base interactions energy: -392.674
where: short stacking energy: -177.503
Base-Backbone interact. energy: -1.028
local terms energy: -237.470682
where:
bonds (distance) C4'-P energy: -46.329
bonds (distance) P-C4' energy: -62.049
flat angles C4'-P-C4' energy: -53.219
flat angles P-C4'-P energy: -36.808
tors. eta vs tors. theta energy: -39.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -531.721451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.721451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.721451 (E_RNA)
where:
Base-Base interactions energy: -324.281
where: short stacking energy: -140.821
Base-Backbone interact. energy: -0.155
local terms energy: -207.284770
where:
bonds (distance) C4'-P energy: -62.290
bonds (distance) P-C4' energy: -43.800
flat angles C4'-P-C4' energy: -52.505
flat angles P-C4'-P energy: -24.472
tors. eta vs tors. theta energy: -24.217
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: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -445.277443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.277443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.277443 (E_RNA)
where:
Base-Base interactions energy: -254.734
where: short stacking energy: -113.507
Base-Backbone interact. energy: -2.355
local terms energy: -188.188417
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -52.010
flat angles C4'-P-C4' energy: -45.656
flat angles P-C4'-P energy: -32.333
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1072.602214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.602214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.602214 (E_RNA)
where:
Base-Base interactions energy: -744.524
where: short stacking energy: -324.313
Base-Backbone interact. energy: -0.920
local terms energy: -327.157777
where:
bonds (distance) C4'-P energy: -51.261
bonds (distance) P-C4' energy: -65.041
flat angles C4'-P-C4' energy: -66.960
flat angles P-C4'-P energy: -48.519
tors. eta vs tors. theta energy: -95.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1041.614433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.614433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.614433 (E_RNA)
where:
Base-Base interactions energy: -708.417
where: short stacking energy: -292.500
Base-Backbone interact. energy: -0.885
local terms energy: -332.312401
where:
bonds (distance) C4'-P energy: -68.475
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -71.990
flat angles P-C4'-P energy: -50.687
tors. eta vs tors. theta energy: -85.128
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: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -989.473283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.473283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.473283 (E_RNA)
where:
Base-Base interactions energy: -687.860
where: short stacking energy: -297.445
Base-Backbone interact. energy: -0.091
local terms energy: -301.522457
where:
bonds (distance) C4'-P energy: -52.457
bonds (distance) P-C4' energy: -46.777
flat angles C4'-P-C4' energy: -66.207
flat angles P-C4'-P energy: -48.295
tors. eta vs tors. theta energy: -87.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -950.075625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.075625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.075625 (E_RNA)
where:
Base-Base interactions energy: -665.017
where: short stacking energy: -261.511
Base-Backbone interact. energy: -0.879
local terms energy: -284.179144
where:
bonds (distance) C4'-P energy: -58.310
bonds (distance) P-C4' energy: -58.992
flat angles C4'-P-C4' energy: -57.739
flat angles P-C4'-P energy: -42.275
tors. eta vs tors. theta energy: -66.863
Dist. restrs. and SS energy: 0.000 (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: 297
Temperature: 1.100000
Total energy: -891.293173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.293173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.293173 (E_RNA)
where:
Base-Base interactions energy: -607.658
where: short stacking energy: -267.790
Base-Backbone interact. energy: -1.019
local terms energy: -282.616915
where:
bonds (distance) C4'-P energy: -51.355
bonds (distance) P-C4' energy: -57.851
flat angles C4'-P-C4' energy: -64.121
flat angles P-C4'-P energy: -44.022
tors. eta vs tors. theta energy: -65.267
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: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -839.025664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.025664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.025664 (E_RNA)
where:
Base-Base interactions energy: -593.416
where: short stacking energy: -230.886
Base-Backbone interact. energy: 2.890
local terms energy: -248.499173
where:
bonds (distance) C4'-P energy: -47.184
bonds (distance) P-C4' energy: -52.587
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -45.106
tors. eta vs tors. theta energy: -51.357
Dist. restrs. and SS energy: 0.000 (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: 297
Temperature: 1.200000
Total energy: -733.839918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.839918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.839918 (E_RNA)
where:
Base-Base interactions energy: -486.829
where: short stacking energy: -222.941
Base-Backbone interact. energy: -1.823
local terms energy: -245.187931
where:
bonds (distance) C4'-P energy: -48.648
bonds (distance) P-C4' energy: -50.659
flat angles C4'-P-C4' energy: -56.809
flat angles P-C4'-P energy: -33.472
tors. eta vs tors. theta energy: -55.600
Dist. restrs. and SS energy: 0.000 (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: 297
Temperature: 1.250000
Total energy: -652.023352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.023352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.023352 (E_RNA)
where:
Base-Base interactions energy: -412.759
where: short stacking energy: -205.112
Base-Backbone interact. energy: -0.665
local terms energy: -238.599359
where:
bonds (distance) C4'-P energy: -52.675
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -53.954
flat angles P-C4'-P energy: -34.878
tors. eta vs tors. theta energy: -52.174
Dist. restrs. and SS energy: 0.000 (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: 297
Temperature: 1.300000
Total energy: -546.390307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.390307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.390307 (E_RNA)
where:
Base-Base interactions energy: -349.986
where: short stacking energy: -171.141
Base-Backbone interact. energy: 0.750
local terms energy: -197.154585
where:
bonds (distance) C4'-P energy: -47.632
bonds (distance) P-C4' energy: -45.798
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -27.384
tors. eta vs tors. theta energy: -28.618
Dist. restrs. and SS energy: 0.000 (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: 297
Temperature: 1.350000
Total energy: -476.991616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.991616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.991616 (E_RNA)
where:
Base-Base interactions energy: -270.402
where: short stacking energy: -135.271
Base-Backbone interact. energy: -0.325
local terms energy: -206.263783
where:
bonds (distance) C4'-P energy: -58.585
bonds (distance) P-C4' energy: -60.472
flat angles C4'-P-C4' energy: -47.468
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -18.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1071.758563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.758563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.758563 (E_RNA)
where:
Base-Base interactions energy: -735.855
where: short stacking energy: -323.643
Base-Backbone interact. energy: -0.293
local terms energy: -335.610948
where:
bonds (distance) C4'-P energy: -60.569
bonds (distance) P-C4' energy: -65.622
flat angles C4'-P-C4' energy: -66.066
flat angles P-C4'-P energy: -46.359
tors. eta vs tors. theta energy: -96.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1063.365562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.365562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.365562 (E_RNA)
where:
Base-Base interactions energy: -738.709
where: short stacking energy: -321.106
Base-Backbone interact. energy: -0.079
local terms energy: -324.577196
where:
bonds (distance) C4'-P energy: -49.032
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -66.642
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: -98.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -974.531574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.531574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.531574 (E_RNA)
where:
Base-Base interactions energy: -671.717
where: short stacking energy: -273.249
Base-Backbone interact. energy: -3.181
local terms energy: -299.633460
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -61.520
flat angles C4'-P-C4' energy: -68.790
flat angles P-C4'-P energy: -45.887
tors. eta vs tors. theta energy: -68.045
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: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -990.589314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.589314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.589314 (E_RNA)
where:
Base-Base interactions energy: -680.450
where: short stacking energy: -311.252
Base-Backbone interact. energy: -2.008
local terms energy: -308.131068
where:
bonds (distance) C4'-P energy: -53.060
bonds (distance) P-C4' energy: -57.698
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -45.022
tors. eta vs tors. theta energy: -90.573
Dist. restrs. and SS energy: 0.000 (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: 298
Temperature: 1.100000
Total energy: -873.861641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.861641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.861641 (E_RNA)
where:
Base-Base interactions energy: -598.944
where: short stacking energy: -264.739
Base-Backbone interact. energy: -0.345
local terms energy: -274.572342
where:
bonds (distance) C4'-P energy: -61.748
bonds (distance) P-C4' energy: -54.098
flat angles C4'-P-C4' energy: -56.311
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -72.437
Dist. restrs. and SS energy: 0.000 (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: 298
Temperature: 1.150000
Total energy: -835.747725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.747725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.747725 (E_RNA)
where:
Base-Base interactions energy: -555.185
where: short stacking energy: -233.101
Base-Backbone interact. energy: -1.557
local terms energy: -279.004800
where:
bonds (distance) C4'-P energy: -49.385
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -62.556
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: -68.168
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: 7, replica: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -761.094422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.094422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.094422 (E_RNA)
where:
Base-Base interactions energy: -502.001
where: short stacking energy: -224.336
Base-Backbone interact. energy: -1.907
local terms energy: -257.186172
where:
bonds (distance) C4'-P energy: -53.216
bonds (distance) P-C4' energy: -56.509
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -52.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -637.320729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.320729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.320729 (E_RNA)
where:
Base-Base interactions energy: -400.840
where: short stacking energy: -193.984
Base-Backbone interact. energy: 0.123
local terms energy: -236.603850
where:
bonds (distance) C4'-P energy: -41.366
bonds (distance) P-C4' energy: -55.185
flat angles C4'-P-C4' energy: -59.584
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: -44.397
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: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -535.866880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.866880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.866880 (E_RNA)
where:
Base-Base interactions energy: -315.341
where: short stacking energy: -154.834
Base-Backbone interact. energy: -0.650
local terms energy: -219.876383
where:
bonds (distance) C4'-P energy: -47.389
bonds (distance) P-C4' energy: -52.824
flat angles C4'-P-C4' energy: -53.901
flat angles P-C4'-P energy: -38.169
tors. eta vs tors. theta energy: -27.594
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: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -452.496031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.496031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.496031 (E_RNA)
where:
Base-Base interactions energy: -269.076
where: short stacking energy: -142.612
Base-Backbone interact. energy: -0.712
local terms energy: -182.708141
where:
bonds (distance) C4'-P energy: -48.107
bonds (distance) P-C4' energy: -52.655
flat angles C4'-P-C4' energy: -40.663
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -13.128
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: 1, replica: 8
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1062.162427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.162427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.162427 (E_RNA)
where:
Base-Base interactions energy: -740.652
where: short stacking energy: -314.250
Base-Backbone interact. energy: -2.057
local terms energy: -319.453527
where:
bonds (distance) C4'-P energy: -59.744
bonds (distance) P-C4' energy: -60.598
flat angles C4'-P-C4' energy: -61.571
flat angles P-C4'-P energy: -39.542
tors. eta vs tors. theta energy: -97.998
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: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1050.994406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.994406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.994406 (E_RNA)
where:
Base-Base interactions energy: -733.431
where: short stacking energy: -315.302
Base-Backbone interact. energy: -1.474
local terms energy: -316.089032
where:
bonds (distance) C4'-P energy: -61.325
bonds (distance) P-C4' energy: -59.588
flat angles C4'-P-C4' energy: -61.663
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -90.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -996.714951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.714951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.714951 (E_RNA)
where:
Base-Base interactions energy: -698.119
where: short stacking energy: -277.264
Base-Backbone interact. energy: -1.867
local terms energy: -296.729234
where:
bonds (distance) C4'-P energy: -59.871
bonds (distance) P-C4' energy: -53.490
flat angles C4'-P-C4' energy: -64.341
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -77.481
Dist. restrs. and SS energy: 0.000 (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: 299
Temperature: 1.050000
Total energy: -989.294934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.294934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.294934 (E_RNA)
where:
Base-Base interactions energy: -674.677
where: short stacking energy: -293.080
Base-Backbone interact. energy: -1.208
local terms energy: -313.410316
where:
bonds (distance) C4'-P energy: -60.686
bonds (distance) P-C4' energy: -58.119
flat angles C4'-P-C4' energy: -66.871
flat angles P-C4'-P energy: -40.930
tors. eta vs tors. theta energy: -86.805
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: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -903.715179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.715179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.715179 (E_RNA)
where:
Base-Base interactions energy: -633.468
where: short stacking energy: -279.670
Base-Backbone interact. energy: -0.778
local terms energy: -269.469330
where:
bonds (distance) C4'-P energy: -46.654
bonds (distance) P-C4' energy: -52.973
flat angles C4'-P-C4' energy: -58.372
flat angles P-C4'-P energy: -39.783
tors. eta vs tors. theta energy: -71.686
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: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -826.945423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.945423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.945423 (E_RNA)
where:
Base-Base interactions energy: -556.155
where: short stacking energy: -226.688
Base-Backbone interact. energy: -1.670
local terms energy: -269.119682
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -56.591
flat angles C4'-P-C4' energy: -58.371
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -62.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -728.372808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.372808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.372808 (E_RNA)
where:
Base-Base interactions energy: -487.191
where: short stacking energy: -215.302
Base-Backbone interact. energy: -1.021
local terms energy: -240.160967
where:
bonds (distance) C4'-P energy: -52.158
bonds (distance) P-C4' energy: -52.642
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -27.547
tors. eta vs tors. theta energy: -51.357
Dist. restrs. and SS energy: 0.000 (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: 299
Temperature: 1.250000
Total energy: -649.574651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.574651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.574651 (E_RNA)
where:
Base-Base interactions energy: -412.872
where: short stacking energy: -185.241
Base-Backbone interact. energy: -0.754
local terms energy: -235.949210
where:
bonds (distance) C4'-P energy: -49.897
bonds (distance) P-C4' energy: -60.436
flat angles C4'-P-C4' energy: -49.910
flat angles P-C4'-P energy: -33.851
tors. eta vs tors. theta energy: -41.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -575.726940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.726940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.726940 (E_RNA)
where:
Base-Base interactions energy: -361.173
where: short stacking energy: -166.902
Base-Backbone interact. energy: -0.548
local terms energy: -214.005980
where:
bonds (distance) C4'-P energy: -36.066
bonds (distance) P-C4' energy: -61.256
flat angles C4'-P-C4' energy: -46.098
flat angles P-C4'-P energy: -33.420
tors. eta vs tors. theta energy: -37.166
Dist. restrs. and SS energy: 0.000 (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: 299
Temperature: 1.350000
Total energy: -489.958831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.958831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.958831 (E_RNA)
where:
Base-Base interactions energy: -299.843
where: short stacking energy: -157.164
Base-Backbone interact. energy: 1.082
local terms energy: -191.197804
where:
bonds (distance) C4'-P energy: -40.780
bonds (distance) P-C4' energy: -47.747
flat angles C4'-P-C4' energy: -39.644
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -33.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1070.998620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.998620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.998620 (E_RNA)
where:
Base-Base interactions energy: -742.729
where: short stacking energy: -313.203
Base-Backbone interact. energy: 1.084
local terms energy: -329.353524
where:
bonds (distance) C4'-P energy: -65.009
bonds (distance) P-C4' energy: -51.660
flat angles C4'-P-C4' energy: -72.304
flat angles P-C4'-P energy: -48.857
tors. eta vs tors. theta energy: -91.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1023.817980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.817980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.817980 (E_RNA)
where:
Base-Base interactions energy: -706.856
where: short stacking energy: -313.324
Base-Backbone interact. energy: -0.979
local terms energy: -315.982519
where:
bonds (distance) C4'-P energy: -58.237
bonds (distance) P-C4' energy: -56.182
flat angles C4'-P-C4' energy: -60.955
flat angles P-C4'-P energy: -47.625
tors. eta vs tors. theta energy: -92.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1007.403850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.403850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.403850 (E_RNA)
where:
Base-Base interactions energy: -709.798
where: short stacking energy: -286.264
Base-Backbone interact. energy: 2.183
local terms energy: -299.788489
where:
bonds (distance) C4'-P energy: -57.187
bonds (distance) P-C4' energy: -48.339
flat angles C4'-P-C4' energy: -67.362
flat angles P-C4'-P energy: -47.796
tors. eta vs tors. theta energy: -79.104
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: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -989.939126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.939126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.939126 (E_RNA)
where:
Base-Base interactions energy: -674.177
where: short stacking energy: -306.544
Base-Backbone interact. energy: -0.989
local terms energy: -314.772838
where:
bonds (distance) C4'-P energy: -50.803
bonds (distance) P-C4' energy: -62.356
flat angles C4'-P-C4' energy: -70.855
flat angles P-C4'-P energy: -39.522
tors. eta vs tors. theta energy: -91.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -906.638915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.638915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.638915 (E_RNA)
where:
Base-Base interactions energy: -621.865
where: short stacking energy: -262.016
Base-Backbone interact. energy: 1.658
local terms energy: -286.431190
where:
bonds (distance) C4'-P energy: -50.813
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -55.330
flat angles P-C4'-P energy: -50.450
tors. eta vs tors. theta energy: -75.004
Dist. restrs. and SS energy: 0.000 (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: 300
Temperature: 1.150000
Total energy: -818.730908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.730908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.730908 (E_RNA)
where:
Base-Base interactions energy: -559.133
where: short stacking energy: -242.482
Base-Backbone interact. energy: -0.814
local terms energy: -258.783702
where:
bonds (distance) C4'-P energy: -58.587
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -45.327
flat angles P-C4'-P energy: -42.372
tors. eta vs tors. theta energy: -58.161
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: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -718.563302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.563302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.563302 (E_RNA)
where:
Base-Base interactions energy: -472.161
where: short stacking energy: -201.925
Base-Backbone interact. energy: -0.331
local terms energy: -246.071147
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -55.599
flat angles C4'-P-C4' energy: -59.315
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -44.699
Dist. restrs. and SS energy: 0.000 (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: 300
Temperature: 1.250000
Total energy: -634.270609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.270609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.270609 (E_RNA)
where:
Base-Base interactions energy: -377.491
where: short stacking energy: -192.313
Base-Backbone interact. energy: -1.290
local terms energy: -255.489744
where:
bonds (distance) C4'-P energy: -56.676
bonds (distance) P-C4' energy: -59.836
flat angles C4'-P-C4' energy: -57.030
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -45.653
Dist. restrs. and SS energy: 0.000 (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: 300
Temperature: 1.300000
Total energy: -580.040479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.040479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.040479 (E_RNA)
where:
Base-Base interactions energy: -357.566
where: short stacking energy: -167.254
Base-Backbone interact. energy: -1.482
local terms energy: -220.992659
where:
bonds (distance) C4'-P energy: -47.858
bonds (distance) P-C4' energy: -47.044
flat angles C4'-P-C4' energy: -52.844
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -41.714
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: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -437.002246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.002246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.002246 (E_RNA)
where:
Base-Base interactions energy: -260.080
where: short stacking energy: -111.995
Base-Backbone interact. energy: -0.314
local terms energy: -176.608083
where:
bonds (distance) C4'-P energy: -40.411
bonds (distance) P-C4' energy: -53.589
flat angles C4'-P-C4' energy: -42.333
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -1.022
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: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1067.710265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.710265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.710265 (E_RNA)
where:
Base-Base interactions energy: -732.886
where: short stacking energy: -316.149
Base-Backbone interact. energy: -0.198
local terms energy: -334.626624
where:
bonds (distance) C4'-P energy: -60.526
bonds (distance) P-C4' energy: -64.878
flat angles C4'-P-C4' energy: -69.296
flat angles P-C4'-P energy: -55.726
tors. eta vs tors. theta energy: -84.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -994.251842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.251842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.251842 (E_RNA)
where:
Base-Base interactions energy: -675.204
where: short stacking energy: -298.857
Base-Backbone interact. energy: -1.705
local terms energy: -317.342114
where:
bonds (distance) C4'-P energy: -59.927
bonds (distance) P-C4' energy: -65.586
flat angles C4'-P-C4' energy: -68.278
flat angles P-C4'-P energy: -41.457
tors. eta vs tors. theta energy: -82.094
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: 3, replica: 2
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -987.318978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.318978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.318978 (E_RNA)
where:
Base-Base interactions energy: -693.864
where: short stacking energy: -267.901
Base-Backbone interact. energy: -1.032
local terms energy: -292.423209
where:
bonds (distance) C4'-P energy: -55.712
bonds (distance) P-C4' energy: -56.414
flat angles C4'-P-C4' energy: -65.306
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -69.327
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: 4, replica: 1
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -974.928023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.928023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.928023 (E_RNA)
where:
Base-Base interactions energy: -659.676
where: short stacking energy: -288.133
Base-Backbone interact. energy: 0.661
local terms energy: -315.912849
where:
bonds (distance) C4'-P energy: -54.241
bonds (distance) P-C4' energy: -60.608
flat angles C4'-P-C4' energy: -67.146
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -82.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -898.986350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.986350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.986350 (E_RNA)
where:
Base-Base interactions energy: -615.372
where: short stacking energy: -259.275
Base-Backbone interact. energy: -0.995
local terms energy: -282.618816
where:
bonds (distance) C4'-P energy: -52.951
bonds (distance) P-C4' energy: -50.685
flat angles C4'-P-C4' energy: -59.277
flat angles P-C4'-P energy: -53.197
tors. eta vs tors. theta energy: -66.510
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: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -836.901448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.901448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.901448 (E_RNA)
where:
Base-Base interactions energy: -558.778
where: short stacking energy: -237.239
Base-Backbone interact. energy: -1.153
local terms energy: -276.970756
where:
bonds (distance) C4'-P energy: -53.090
bonds (distance) P-C4' energy: -53.287
flat angles C4'-P-C4' energy: -64.545
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -65.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -714.233483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.233483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.233483 (E_RNA)
where:
Base-Base interactions energy: -480.496
where: short stacking energy: -200.531
Base-Backbone interact. energy: -2.202
local terms energy: -231.535792
where:
bonds (distance) C4'-P energy: -53.931
bonds (distance) P-C4' energy: -45.175
flat angles C4'-P-C4' energy: -52.111
flat angles P-C4'-P energy: -30.809
tors. eta vs tors. theta energy: -49.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -651.697949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.697949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.697949 (E_RNA)
where:
Base-Base interactions energy: -423.400
where: short stacking energy: -199.164
Base-Backbone interact. energy: -0.199
local terms energy: -228.098833
where:
bonds (distance) C4'-P energy: -49.923
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -54.867
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -44.655
Dist. restrs. and SS energy: 0.000 (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: 301
Temperature: 1.300000
Total energy: -586.564205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.564205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.564205 (E_RNA)
where:
Base-Base interactions energy: -372.902
where: short stacking energy: -186.075
Base-Backbone interact. energy: 2.555
local terms energy: -216.217000
where:
bonds (distance) C4'-P energy: -37.715
bonds (distance) P-C4' energy: -55.625
flat angles C4'-P-C4' energy: -54.258
flat angles P-C4'-P energy: -35.930
tors. eta vs tors. theta energy: -32.690
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: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -448.170388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.170388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.170388 (E_RNA)
where:
Base-Base interactions energy: -272.282
where: short stacking energy: -112.461
Base-Backbone interact. energy: 3.174
local terms energy: -179.063218
where:
bonds (distance) C4'-P energy: -50.592
bonds (distance) P-C4' energy: -41.829
flat angles C4'-P-C4' energy: -41.249
flat angles P-C4'-P energy: -32.441
tors. eta vs tors. theta energy: -12.952
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: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1069.008805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.008805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.008805 (E_RNA)
where:
Base-Base interactions energy: -744.746
where: short stacking energy: -313.173
Base-Backbone interact. energy: -1.364
local terms energy: -322.898207
where:
bonds (distance) C4'-P energy: -58.876
bonds (distance) P-C4' energy: -62.265
flat angles C4'-P-C4' energy: -64.189
flat angles P-C4'-P energy: -44.613
tors. eta vs tors. theta energy: -92.957
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: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1016.984888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.984888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.984888 (E_RNA)
where:
Base-Base interactions energy: -712.964
where: short stacking energy: -311.008
Base-Backbone interact. energy: -3.650
local terms energy: -300.371284
where:
bonds (distance) C4'-P energy: -43.347
bonds (distance) P-C4' energy: -60.119
flat angles C4'-P-C4' energy: -60.289
flat angles P-C4'-P energy: -49.635
tors. eta vs tors. theta energy: -86.982
Dist. restrs. and SS energy: 0.000 (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: 302
Temperature: 1.000000
Total energy: -1000.707697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.707697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.707697 (E_RNA)
where:
Base-Base interactions energy: -708.071
where: short stacking energy: -279.573
Base-Backbone interact. energy: -1.002
local terms energy: -291.634734
where:
bonds (distance) C4'-P energy: -49.129
bonds (distance) P-C4' energy: -56.540
flat angles C4'-P-C4' energy: -62.407
flat angles P-C4'-P energy: -49.736
tors. eta vs tors. theta energy: -73.823
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: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -970.129256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.129256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.129256 (E_RNA)
where:
Base-Base interactions energy: -665.302
where: short stacking energy: -289.327
Base-Backbone interact. energy: 0.554
local terms energy: -305.381123
where:
bonds (distance) C4'-P energy: -53.000
bonds (distance) P-C4' energy: -55.439
flat angles C4'-P-C4' energy: -61.980
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -92.013
Dist. restrs. and SS energy: 0.000 (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: 302
Temperature: 1.100000
Total energy: -902.939405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.939405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.939405 (E_RNA)
where:
Base-Base interactions energy: -634.141
where: short stacking energy: -269.999
Base-Backbone interact. energy: -2.184
local terms energy: -266.614857
where:
bonds (distance) C4'-P energy: -53.021
bonds (distance) P-C4' energy: -48.899
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -33.158
tors. eta vs tors. theta energy: -69.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -840.935559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.935559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.935559 (E_RNA)
where:
Base-Base interactions energy: -556.183
where: short stacking energy: -250.753
Base-Backbone interact. energy: 5.683
local terms energy: -290.435915
where:
bonds (distance) C4'-P energy: -67.590
bonds (distance) P-C4' energy: -53.839
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -43.952
tors. eta vs tors. theta energy: -64.168
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: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -731.142129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.142129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.142129 (E_RNA)
where:
Base-Base interactions energy: -467.499
where: short stacking energy: -228.570
Base-Backbone interact. energy: -0.624
local terms energy: -263.019656
where:
bonds (distance) C4'-P energy: -50.796
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -57.836
flat angles P-C4'-P energy: -39.466
tors. eta vs tors. theta energy: -61.315
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: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -644.302188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.302188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.302188 (E_RNA)
where:
Base-Base interactions energy: -415.368
where: short stacking energy: -186.385
Base-Backbone interact. energy: -0.438
local terms energy: -228.496231
where:
bonds (distance) C4'-P energy: -56.821
bonds (distance) P-C4' energy: -46.787
flat angles C4'-P-C4' energy: -51.594
flat angles P-C4'-P energy: -34.204
tors. eta vs tors. theta energy: -39.090
Dist. restrs. and SS energy: 0.000 (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: 302
Temperature: 1.300000
Total energy: -573.332625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.332625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.332625 (E_RNA)
where:
Base-Base interactions energy: -363.055
where: short stacking energy: -173.717
Base-Backbone interact. energy: -2.851
local terms energy: -207.426111
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -48.415
flat angles C4'-P-C4' energy: -40.261
flat angles P-C4'-P energy: -42.279
tors. eta vs tors. theta energy: -33.914
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: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -456.487930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.487930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.487930 (E_RNA)
where:
Base-Base interactions energy: -276.179
where: short stacking energy: -133.946
Base-Backbone interact. energy: -0.390
local terms energy: -179.919244
where:
bonds (distance) C4'-P energy: -42.152
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -37.093
flat angles P-C4'-P energy: -23.778
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1077.450825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.450825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.450825 (E_RNA)
where:
Base-Base interactions energy: -746.743
where: short stacking energy: -318.491
Base-Backbone interact. energy: -1.184
local terms energy: -329.523817
where:
bonds (distance) C4'-P energy: -58.411
bonds (distance) P-C4' energy: -59.841
flat angles C4'-P-C4' energy: -70.841
flat angles P-C4'-P energy: -46.457
tors. eta vs tors. theta energy: -93.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1048.527418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.527418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.527418 (E_RNA)
where:
Base-Base interactions energy: -733.258
where: short stacking energy: -291.014
Base-Backbone interact. energy: -1.378
local terms energy: -313.891489
where:
bonds (distance) C4'-P energy: -61.710
bonds (distance) P-C4' energy: -52.739
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -82.559
Dist. restrs. and SS energy: 0.000 (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: 303
Temperature: 1.000000
Total energy: -1001.295465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.295465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.295465 (E_RNA)
where:
Base-Base interactions energy: -694.788
where: short stacking energy: -292.373
Base-Backbone interact. energy: -0.518
local terms energy: -305.988620
where:
bonds (distance) C4'-P energy: -54.863
bonds (distance) P-C4' energy: -51.676
flat angles C4'-P-C4' energy: -71.258
flat angles P-C4'-P energy: -46.573
tors. eta vs tors. theta energy: -81.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -922.416052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.416052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.416052 (E_RNA)
where:
Base-Base interactions energy: -629.998
where: short stacking energy: -272.213
Base-Backbone interact. energy: -0.793
local terms energy: -291.624970
where:
bonds (distance) C4'-P energy: -48.920
bonds (distance) P-C4' energy: -60.004
flat angles C4'-P-C4' energy: -60.138
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: -79.418
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: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -962.961220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.961220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.961220 (E_RNA)
where:
Base-Base interactions energy: -658.275
where: short stacking energy: -294.102
Base-Backbone interact. energy: -0.444
local terms energy: -304.243042
where:
bonds (distance) C4'-P energy: -51.809
bonds (distance) P-C4' energy: -44.284
flat angles C4'-P-C4' energy: -70.462
flat angles P-C4'-P energy: -45.404
tors. eta vs tors. theta energy: -92.283
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: 6, replica: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -850.865904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.865904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.865904 (E_RNA)
where:
Base-Base interactions energy: -579.594
where: short stacking energy: -245.854
Base-Backbone interact. energy: -0.717
local terms energy: -270.555193
where:
bonds (distance) C4'-P energy: -48.736
bonds (distance) P-C4' energy: -47.312
flat angles C4'-P-C4' energy: -61.952
flat angles P-C4'-P energy: -44.570
tors. eta vs tors. theta energy: -67.985
Dist. restrs. and SS energy: 0.000 (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: 303
Temperature: 1.200000
Total energy: -731.172885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.172885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.172885 (E_RNA)
where:
Base-Base interactions energy: -466.029
where: short stacking energy: -220.847
Base-Backbone interact. energy: -1.546
local terms energy: -263.598485
where:
bonds (distance) C4'-P energy: -51.037
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -56.015
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -58.943
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: 8, replica: 7
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -564.346295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.346295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.346295 (E_RNA)
where:
Base-Base interactions energy: -348.248
where: short stacking energy: -159.297
Base-Backbone interact. energy: 2.377
local terms energy: -218.475489
where:
bonds (distance) C4'-P energy: -39.646
bonds (distance) P-C4' energy: -60.855
flat angles C4'-P-C4' energy: -53.632
flat angles P-C4'-P energy: -34.223
tors. eta vs tors. theta energy: -30.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -582.692575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.692575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.692575 (E_RNA)
where:
Base-Base interactions energy: -370.390
where: short stacking energy: -151.787
Base-Backbone interact. energy: -0.248
local terms energy: -212.054133
where:
bonds (distance) C4'-P energy: -49.160
bonds (distance) P-C4' energy: -48.848
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -36.221
tors. eta vs tors. theta energy: -33.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -451.952020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.952020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.952020 (E_RNA)
where:
Base-Base interactions energy: -267.047
where: short stacking energy: -128.038
Base-Backbone interact. energy: 0.372
local terms energy: -185.277066
where:
bonds (distance) C4'-P energy: -44.847
bonds (distance) P-C4' energy: -56.077
flat angles C4'-P-C4' energy: -49.089
flat angles P-C4'-P energy: -23.382
tors. eta vs tors. theta energy: -11.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1073.589684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.589684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.589684 (E_RNA)
where:
Base-Base interactions energy: -747.370
where: short stacking energy: -333.221
Base-Backbone interact. energy: 0.139
local terms energy: -326.359187
where:
bonds (distance) C4'-P energy: -56.052
bonds (distance) P-C4' energy: -59.877
flat angles C4'-P-C4' energy: -61.665
flat angles P-C4'-P energy: -51.106
tors. eta vs tors. theta energy: -97.659
Dist. restrs. and SS energy: 0.000 (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: 304
Temperature: 0.950000
Total energy: -1029.920341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.920341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.920341 (E_RNA)
where:
Base-Base interactions energy: -730.277
where: short stacking energy: -280.331
Base-Backbone interact. energy: -2.502
local terms energy: -297.142066
where:
bonds (distance) C4'-P energy: -59.687
bonds (distance) P-C4' energy: -54.906
flat angles C4'-P-C4' energy: -65.848
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: -80.715
Dist. restrs. and SS energy: 0.000 (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: 304
Temperature: 1.000000
Total energy: -995.510693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.510693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.510693 (E_RNA)
where:
Base-Base interactions energy: -680.256
where: short stacking energy: -312.154
Base-Backbone interact. energy: -2.773
local terms energy: -312.482068
where:
bonds (distance) C4'-P energy: -54.258
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -74.538
flat angles P-C4'-P energy: -48.014
tors. eta vs tors. theta energy: -88.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -897.978033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.978033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.978033 (E_RNA)
where:
Base-Base interactions energy: -609.531
where: short stacking energy: -262.299
Base-Backbone interact. energy: -0.918
local terms energy: -287.529525
where:
bonds (distance) C4'-P energy: -65.873
bonds (distance) P-C4' energy: -63.234
flat angles C4'-P-C4' energy: -54.477
flat angles P-C4'-P energy: -29.814
tors. eta vs tors. theta energy: -74.132
Dist. restrs. and SS energy: 0.000 (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: 304
Temperature: 1.100000
Total energy: -974.633746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.633746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.633746 (E_RNA)
where:
Base-Base interactions energy: -666.222
where: short stacking energy: -296.194
Base-Backbone interact. energy: -0.841
local terms energy: -307.571036
where:
bonds (distance) C4'-P energy: -57.153
bonds (distance) P-C4' energy: -48.423
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -39.818
tors. eta vs tors. theta energy: -92.591
Dist. restrs. and SS energy: 0.000 (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: 304
Temperature: 1.150000
Total energy: -825.266408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.266408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.266408 (E_RNA)
where:
Base-Base interactions energy: -564.326
where: short stacking energy: -237.086
Base-Backbone interact. energy: -1.421
local terms energy: -259.519083
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -44.682
flat angles C4'-P-C4' energy: -57.058
flat angles P-C4'-P energy: -40.750
tors. eta vs tors. theta energy: -61.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -718.982146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.982146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.982146 (E_RNA)
where:
Base-Base interactions energy: -482.940
where: short stacking energy: -213.147
Base-Backbone interact. energy: -1.840
local terms energy: -234.201514
where:
bonds (distance) C4'-P energy: -47.498
bonds (distance) P-C4' energy: -51.003
flat angles C4'-P-C4' energy: -64.010
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -46.067
Dist. restrs. and SS energy: 0.000 (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: 304
Temperature: 1.250000
Total energy: -597.885653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.885653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.885653 (E_RNA)
where:
Base-Base interactions energy: -394.205
where: short stacking energy: -175.140
Base-Backbone interact. energy: -2.627
local terms energy: -201.053476
where:
bonds (distance) C4'-P energy: -48.133
bonds (distance) P-C4' energy: -53.334
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -29.193
tors. eta vs tors. theta energy: -26.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -618.712986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.712986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.712986 (E_RNA)
where:
Base-Base interactions energy: -395.033
where: short stacking energy: -186.593
Base-Backbone interact. energy: -1.166
local terms energy: -222.514083
where:
bonds (distance) C4'-P energy: -54.427
bonds (distance) P-C4' energy: -59.223
flat angles C4'-P-C4' energy: -44.894
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -36.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -473.712050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.712050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.712050 (E_RNA)
where:
Base-Base interactions energy: -273.677
where: short stacking energy: -147.483
Base-Backbone interact. energy: -0.267
local terms energy: -199.768812
where:
bonds (distance) C4'-P energy: -58.423
bonds (distance) P-C4' energy: -49.881
flat angles C4'-P-C4' energy: -48.798
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -21.595
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: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1069.434570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.434570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.434570 (E_RNA)
where:
Base-Base interactions energy: -744.092
where: short stacking energy: -324.460
Base-Backbone interact. energy: -0.229
local terms energy: -325.113755
where:
bonds (distance) C4'-P energy: -64.184
bonds (distance) P-C4' energy: -58.017
flat angles C4'-P-C4' energy: -64.613
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -91.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1027.786913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.786913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.786913 (E_RNA)
where:
Base-Base interactions energy: -728.623
where: short stacking energy: -295.064
Base-Backbone interact. energy: -2.295
local terms energy: -296.868690
where:
bonds (distance) C4'-P energy: -52.913
bonds (distance) P-C4' energy: -61.357
flat angles C4'-P-C4' energy: -57.414
flat angles P-C4'-P energy: -41.204
tors. eta vs tors. theta energy: -83.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1015.429635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.429635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.429635 (E_RNA)
where:
Base-Base interactions energy: -697.901
where: short stacking energy: -322.007
Base-Backbone interact. energy: -1.190
local terms energy: -316.338512
where:
bonds (distance) C4'-P energy: -58.141
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -65.380
flat angles P-C4'-P energy: -52.714
tors. eta vs tors. theta energy: -84.413
Dist. restrs. and SS energy: 0.000 (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: 305
Temperature: 1.050000
Total energy: -968.792291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.792291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.792291 (E_RNA)
where:
Base-Base interactions energy: -654.980
where: short stacking energy: -306.611
Base-Backbone interact. energy: 2.292
local terms energy: -316.104485
where:
bonds (distance) C4'-P energy: -62.431
bonds (distance) P-C4' energy: -48.742
flat angles C4'-P-C4' energy: -68.046
flat angles P-C4'-P energy: -45.346
tors. eta vs tors. theta energy: -91.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -895.081954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.081954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.081954 (E_RNA)
where:
Base-Base interactions energy: -616.041
where: short stacking energy: -242.293
Base-Backbone interact. energy: 0.398
local terms energy: -279.439364
where:
bonds (distance) C4'-P energy: -49.668
bonds (distance) P-C4' energy: -53.651
flat angles C4'-P-C4' energy: -64.014
flat angles P-C4'-P energy: -48.234
tors. eta vs tors. theta energy: -63.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -853.954704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.954704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.954704 (E_RNA)
where:
Base-Base interactions energy: -593.224
where: short stacking energy: -255.747
Base-Backbone interact. energy: -1.036
local terms energy: -259.694891
where:
bonds (distance) C4'-P energy: -52.855
bonds (distance) P-C4' energy: -54.996
flat angles C4'-P-C4' energy: -56.128
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -61.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -704.041484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.041484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.041484 (E_RNA)
where:
Base-Base interactions energy: -459.207
where: short stacking energy: -200.701
Base-Backbone interact. energy: -0.337
local terms energy: -244.497559
where:
bonds (distance) C4'-P energy: -57.799
bonds (distance) P-C4' energy: -60.458
flat angles C4'-P-C4' energy: -50.085
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: -43.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -593.112788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.112788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.112788 (E_RNA)
where:
Base-Base interactions energy: -362.708
where: short stacking energy: -178.372
Base-Backbone interact. energy: -1.166
local terms energy: -229.238458
where:
bonds (distance) C4'-P energy: -58.599
bonds (distance) P-C4' energy: -50.779
flat angles C4'-P-C4' energy: -48.217
flat angles P-C4'-P energy: -37.557
tors. eta vs tors. theta energy: -34.086
Dist. restrs. and SS energy: 0.000 (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: 305
Temperature: 1.300000
Total energy: -584.028360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.028360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.028360 (E_RNA)
where:
Base-Base interactions energy: -362.965
where: short stacking energy: -158.288
Base-Backbone interact. energy: -0.554
local terms energy: -220.509249
where:
bonds (distance) C4'-P energy: -53.745
bonds (distance) P-C4' energy: -57.720
flat angles C4'-P-C4' energy: -51.958
flat angles P-C4'-P energy: -33.141
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (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: 305
Temperature: 1.350000
Total energy: -467.924367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.924367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.924367 (E_RNA)
where:
Base-Base interactions energy: -273.148
where: short stacking energy: -139.535
Base-Backbone interact. energy: 2.655
local terms energy: -197.431452
where:
bonds (distance) C4'-P energy: -39.376
bonds (distance) P-C4' energy: -59.140
flat angles C4'-P-C4' energy: -55.163
flat angles P-C4'-P energy: -31.239
tors. eta vs tors. theta energy: -12.513
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: 1, replica: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1079.668170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.668170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.668170 (E_RNA)
where:
Base-Base interactions energy: -747.389
where: short stacking energy: -323.066
Base-Backbone interact. energy: -0.408
local terms energy: -331.871423
where:
bonds (distance) C4'-P energy: -57.399
bonds (distance) P-C4' energy: -67.722
flat angles C4'-P-C4' energy: -68.173
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -92.347
Dist. restrs. and SS energy: 0.000 (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: 306
Temperature: 0.950000
Total energy: -1028.991566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.991566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.991566 (E_RNA)
where:
Base-Base interactions energy: -705.876
where: short stacking energy: -281.635
Base-Backbone interact. energy: -0.951
local terms energy: -322.163857
where:
bonds (distance) C4'-P energy: -60.354
bonds (distance) P-C4' energy: -62.868
flat angles C4'-P-C4' energy: -70.639
flat angles P-C4'-P energy: -52.318
tors. eta vs tors. theta energy: -75.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1027.250873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.250873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.250873 (E_RNA)
where:
Base-Base interactions energy: -705.878
where: short stacking energy: -311.095
Base-Backbone interact. energy: -2.022
local terms energy: -319.350597
where:
bonds (distance) C4'-P energy: -52.977
bonds (distance) P-C4' energy: -57.618
flat angles C4'-P-C4' energy: -66.669
flat angles P-C4'-P energy: -51.649
tors. eta vs tors. theta energy: -90.438
Dist. restrs. and SS energy: 0.000 (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: 306
Temperature: 1.050000
Total energy: -950.454581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.454581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.454581 (E_RNA)
where:
Base-Base interactions energy: -662.108
where: short stacking energy: -287.765
Base-Backbone interact. energy: -0.747
local terms energy: -287.599966
where:
bonds (distance) C4'-P energy: -52.756
bonds (distance) P-C4' energy: -46.834
flat angles C4'-P-C4' energy: -61.782
flat angles P-C4'-P energy: -45.468
tors. eta vs tors. theta energy: -80.760
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: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -885.927292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.927292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.927292 (E_RNA)
where:
Base-Base interactions energy: -606.709
where: short stacking energy: -276.808
Base-Backbone interact. energy: -0.887
local terms energy: -278.330949
where:
bonds (distance) C4'-P energy: -50.583
bonds (distance) P-C4' energy: -58.111
flat angles C4'-P-C4' energy: -60.114
flat angles P-C4'-P energy: -39.982
tors. eta vs tors. theta energy: -69.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -874.742619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.742619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.742619 (E_RNA)
where:
Base-Base interactions energy: -606.819
where: short stacking energy: -262.009
Base-Backbone interact. energy: -1.285
local terms energy: -266.638907
where:
bonds (distance) C4'-P energy: -50.098
bonds (distance) P-C4' energy: -46.029
flat angles C4'-P-C4' energy: -60.365
flat angles P-C4'-P energy: -39.751
tors. eta vs tors. theta energy: -70.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -712.746436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.746436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.746436 (E_RNA)
where:
Base-Base interactions energy: -467.765
where: short stacking energy: -209.652
Base-Backbone interact. energy: -0.211
local terms energy: -244.770075
where:
bonds (distance) C4'-P energy: -51.005
bonds (distance) P-C4' energy: -55.259
flat angles C4'-P-C4' energy: -57.201
flat angles P-C4'-P energy: -33.067
tors. eta vs tors. theta energy: -48.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -595.714881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.714881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.714881 (E_RNA)
where:
Base-Base interactions energy: -369.937
where: short stacking energy: -169.217
Base-Backbone interact. energy: -0.875
local terms energy: -224.902478
where:
bonds (distance) C4'-P energy: -53.442
bonds (distance) P-C4' energy: -42.344
flat angles C4'-P-C4' energy: -54.939
flat angles P-C4'-P energy: -38.716
tors. eta vs tors. theta energy: -35.461
Dist. restrs. and SS energy: 0.000 (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: 306
Temperature: 1.300000
Total energy: -506.609665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.609665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.609665 (E_RNA)
where:
Base-Base interactions energy: -305.052
where: short stacking energy: -161.769
Base-Backbone interact. energy: 0.717
local terms energy: -202.274201
where:
bonds (distance) C4'-P energy: -42.628
bonds (distance) P-C4' energy: -59.715
flat angles C4'-P-C4' energy: -47.505
flat angles P-C4'-P energy: -18.227
tors. eta vs tors. theta energy: -34.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -553.036564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.036564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.036564 (E_RNA)
where:
Base-Base interactions energy: -345.640
where: short stacking energy: -146.389
Base-Backbone interact. energy: -0.848
local terms energy: -206.548558
where:
bonds (distance) C4'-P energy: -56.104
bonds (distance) P-C4' energy: -55.507
flat angles C4'-P-C4' energy: -51.351
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (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: 307
Temperature: 0.900000
Total energy: -1104.104078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.104078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.104078 (E_RNA)
where:
Base-Base interactions energy: -767.688
where: short stacking energy: -334.859
Base-Backbone interact. energy: -0.996
local terms energy: -335.420659
where:
bonds (distance) C4'-P energy: -60.408
bonds (distance) P-C4' energy: -56.467
flat angles C4'-P-C4' energy: -65.820
flat angles P-C4'-P energy: -53.695
tors. eta vs tors. theta energy: -99.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1029.081988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.081988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.081988 (E_RNA)
where:
Base-Base interactions energy: -713.672
where: short stacking energy: -319.361
Base-Backbone interact. energy: -2.218
local terms energy: -313.192587
where:
bonds (distance) C4'-P energy: -61.988
bonds (distance) P-C4' energy: -57.327
flat angles C4'-P-C4' energy: -62.262
flat angles P-C4'-P energy: -40.933
tors. eta vs tors. theta energy: -90.682
Dist. restrs. and SS energy: 0.000 (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: 307
Temperature: 1.000000
Total energy: -1026.417942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.417942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.417942 (E_RNA)
where:
Base-Base interactions energy: -730.631
where: short stacking energy: -275.868
Base-Backbone interact. energy: -1.001
local terms energy: -294.785973
where:
bonds (distance) C4'-P energy: -56.281
bonds (distance) P-C4' energy: -52.923
flat angles C4'-P-C4' energy: -65.439
flat angles P-C4'-P energy: -44.680
tors. eta vs tors. theta energy: -75.463
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: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -952.706643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.706643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.706643 (E_RNA)
where:
Base-Base interactions energy: -675.126
where: short stacking energy: -291.267
Base-Backbone interact. energy: -0.361
local terms energy: -277.219874
where:
bonds (distance) C4'-P energy: -36.233
bonds (distance) P-C4' energy: -45.732
flat angles C4'-P-C4' energy: -67.092
flat angles P-C4'-P energy: -46.534
tors. eta vs tors. theta energy: -81.629
Dist. restrs. and SS energy: 0.000 (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: 307
Temperature: 1.100000
Total energy: -871.353509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.353509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.353509 (E_RNA)
where:
Base-Base interactions energy: -601.048
where: short stacking energy: -264.978
Base-Backbone interact. energy: 0.557
local terms energy: -270.862476
where:
bonds (distance) C4'-P energy: -51.689
bonds (distance) P-C4' energy: -53.808
flat angles C4'-P-C4' energy: -59.261
flat angles P-C4'-P energy: -35.951
tors. eta vs tors. theta energy: -70.154
Dist. restrs. and SS energy: 0.000 (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: -849.782671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.782671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.782671 (E_RNA)
where:
Base-Base interactions energy: -587.774
where: short stacking energy: -250.134
Base-Backbone interact. energy: -2.900
local terms energy: -259.109570
where:
bonds (distance) C4'-P energy: -41.621
bonds (distance) P-C4' energy: -56.803
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -70.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -730.346463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.346463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.346463 (E_RNA)
where:
Base-Base interactions energy: -481.523
where: short stacking energy: -220.732
Base-Backbone interact. energy: 1.951
local terms energy: -250.774038
where:
bonds (distance) C4'-P energy: -55.819
bonds (distance) P-C4' energy: -55.466
flat angles C4'-P-C4' energy: -61.316
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -44.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -616.490870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.490870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.490870 (E_RNA)
where:
Base-Base interactions energy: -393.114
where: short stacking energy: -181.804
Base-Backbone interact. energy: -0.797
local terms energy: -222.580166
where:
bonds (distance) C4'-P energy: -57.195
bonds (distance) P-C4' energy: -42.757
flat angles C4'-P-C4' energy: -57.406
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -42.044
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: 307
Temperature: 1.300000
Total energy: -475.814510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.814510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.814510 (E_RNA)
where:
Base-Base interactions energy: -251.217
where: short stacking energy: -132.561
Base-Backbone interact. energy: -1.953
local terms energy: -222.644103
where:
bonds (distance) C4'-P energy: -57.879
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -51.479
flat angles P-C4'-P energy: -37.473
tors. eta vs tors. theta energy: -22.092
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: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -571.630638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.630638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.630638 (E_RNA)
where:
Base-Base interactions energy: -356.398
where: short stacking energy: -168.673
Base-Backbone interact. energy: -1.314
local terms energy: -213.918723
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -45.954
flat angles C4'-P-C4' energy: -46.145
flat angles P-C4'-P energy: -29.297
tors. eta vs tors. theta energy: -43.926
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: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1093.392986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.392986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.392986 (E_RNA)
where:
Base-Base interactions energy: -760.561
where: short stacking energy: -338.239
Base-Backbone interact. energy: 0.563
local terms energy: -333.394973
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -49.969
flat angles C4'-P-C4' energy: -73.999
flat angles P-C4'-P energy: -56.018
tors. eta vs tors. theta energy: -99.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1042.745003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.745003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.745003 (E_RNA)
where:
Base-Base interactions energy: -718.325
where: short stacking energy: -317.480
Base-Backbone interact. energy: -1.666
local terms energy: -322.753277
where:
bonds (distance) C4'-P energy: -60.476
bonds (distance) P-C4' energy: -58.913
flat angles C4'-P-C4' energy: -65.887
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -91.970
Dist. restrs. and SS energy: 0.000 (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: 308
Temperature: 1.000000
Total energy: -966.117238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.117238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.117238 (E_RNA)
where:
Base-Base interactions energy: -681.728
where: short stacking energy: -307.993
Base-Backbone interact. energy: -0.687
local terms energy: -283.701607
where:
bonds (distance) C4'-P energy: -49.767
bonds (distance) P-C4' energy: -56.208
flat angles C4'-P-C4' energy: -57.287
flat angles P-C4'-P energy: -37.071
tors. eta vs tors. theta energy: -83.369
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: 4, replica: 2
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1004.847725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.847725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.847725 (E_RNA)
where:
Base-Base interactions energy: -707.215
where: short stacking energy: -269.692
Base-Backbone interact. energy: -1.479
local terms energy: -296.154362
where:
bonds (distance) C4'-P energy: -52.665
bonds (distance) P-C4' energy: -59.761
flat angles C4'-P-C4' energy: -66.552
flat angles P-C4'-P energy: -37.804
tors. eta vs tors. theta energy: -79.372
Dist. restrs. and SS energy: 0.000 (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: 308
Temperature: 1.100000
Total energy: -905.610351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.610351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.610351 (E_RNA)
where:
Base-Base interactions energy: -621.297
where: short stacking energy: -279.492
Base-Backbone interact. energy: -2.620
local terms energy: -281.693617
where:
bonds (distance) C4'-P energy: -50.602
bonds (distance) P-C4' energy: -56.692
flat angles C4'-P-C4' energy: -63.835
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -73.693
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: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -846.499674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.499674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.499674 (E_RNA)
where:
Base-Base interactions energy: -575.064
where: short stacking energy: -254.422
Base-Backbone interact. energy: -1.828
local terms energy: -269.608121
where:
bonds (distance) C4'-P energy: -53.520
bonds (distance) P-C4' energy: -53.962
flat angles C4'-P-C4' energy: -59.244
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: -67.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -739.780273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.780273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.780273 (E_RNA)
where:
Base-Base interactions energy: -502.548
where: short stacking energy: -221.792
Base-Backbone interact. energy: -2.644
local terms energy: -234.588731
where:
bonds (distance) C4'-P energy: -47.817
bonds (distance) P-C4' energy: -57.021
flat angles C4'-P-C4' energy: -56.232
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: -54.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -639.178303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.178303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.178303 (E_RNA)
where:
Base-Base interactions energy: -397.298
where: short stacking energy: -177.542
Base-Backbone interact. energy: -2.551
local terms energy: -239.329252
where:
bonds (distance) C4'-P energy: -50.859
bonds (distance) P-C4' energy: -54.325
flat angles C4'-P-C4' energy: -65.354
flat angles P-C4'-P energy: -35.748
tors. eta vs tors. theta energy: -33.043
Dist. restrs. and SS energy: 0.000 (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: 308
Temperature: 1.300000
Total energy: -565.843107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.843107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.843107 (E_RNA)
where:
Base-Base interactions energy: -352.760
where: short stacking energy: -163.368
Base-Backbone interact. energy: -0.369
local terms energy: -212.713376
where:
bonds (distance) C4'-P energy: -51.864
bonds (distance) P-C4' energy: -46.001
flat angles C4'-P-C4' energy: -49.317
flat angles P-C4'-P energy: -31.617
tors. eta vs tors. theta energy: -33.914
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: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -455.369774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.369774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.369774 (E_RNA)
where:
Base-Base interactions energy: -256.010
where: short stacking energy: -118.828
Base-Backbone interact. energy: -0.440
local terms energy: -198.920154
where:
bonds (distance) C4'-P energy: -46.771
bonds (distance) P-C4' energy: -49.518
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.000 (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: 309
Temperature: 0.900000
Total energy: -1103.414425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.414425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.414425 (E_RNA)
where:
Base-Base interactions energy: -766.464
where: short stacking energy: -343.311
Base-Backbone interact. energy: -0.280
local terms energy: -336.670593
where:
bonds (distance) C4'-P energy: -59.375
bonds (distance) P-C4' energy: -64.878
flat angles C4'-P-C4' energy: -67.796
flat angles P-C4'-P energy: -45.613
tors. eta vs tors. theta energy: -99.008
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: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1048.644239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.644239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.644239 (E_RNA)
where:
Base-Base interactions energy: -722.448
where: short stacking energy: -325.223
Base-Backbone interact. energy: -1.843
local terms energy: -324.352702
where:
bonds (distance) C4'-P energy: -53.586
bonds (distance) P-C4' energy: -62.276
flat angles C4'-P-C4' energy: -70.391
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -97.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -992.454884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.454884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.454884 (E_RNA)
where:
Base-Base interactions energy: -680.395
where: short stacking energy: -286.241
Base-Backbone interact. energy: -1.880
local terms energy: -310.180342
where:
bonds (distance) C4'-P energy: -62.973
bonds (distance) P-C4' energy: -62.040
flat angles C4'-P-C4' energy: -70.361
flat angles P-C4'-P energy: -42.252
tors. eta vs tors. theta energy: -72.555
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: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -913.758762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.758762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.758762 (E_RNA)
where:
Base-Base interactions energy: -620.016
where: short stacking energy: -285.764
Base-Backbone interact. energy: -2.123
local terms energy: -291.620070
where:
bonds (distance) C4'-P energy: -65.079
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -63.009
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -73.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -976.464861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.464861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.464861 (E_RNA)
where:
Base-Base interactions energy: -679.226
where: short stacking energy: -273.786
Base-Backbone interact. energy: -0.562
local terms energy: -296.677304
where:
bonds (distance) C4'-P energy: -61.998
bonds (distance) P-C4' energy: -51.825
flat angles C4'-P-C4' energy: -63.888
flat angles P-C4'-P energy: -47.783
tors. eta vs tors. theta energy: -71.184
Dist. restrs. and SS energy: 0.000 (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: 309
Temperature: 1.150000
Total energy: -847.107447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.107447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.107447 (E_RNA)
where:
Base-Base interactions energy: -558.857
where: short stacking energy: -243.856
Base-Backbone interact. energy: -2.079
local terms energy: -286.171311
where:
bonds (distance) C4'-P energy: -54.735
bonds (distance) P-C4' energy: -57.371
flat angles C4'-P-C4' energy: -65.302
flat angles P-C4'-P energy: -48.540
tors. eta vs tors. theta energy: -60.222
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -759.841005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.841005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.841005 (E_RNA)
where:
Base-Base interactions energy: -507.870
where: short stacking energy: -217.410
Base-Backbone interact. energy: -1.683
local terms energy: -250.288161
where:
bonds (distance) C4'-P energy: -55.469
bonds (distance) P-C4' energy: -53.008
flat angles C4'-P-C4' energy: -50.997
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -51.839
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: 8, replica: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -644.424554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.424554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.424554 (E_RNA)
where:
Base-Base interactions energy: -399.336
where: short stacking energy: -197.452
Base-Backbone interact. energy: -0.699
local terms energy: -244.389974
where:
bonds (distance) C4'-P energy: -49.693
bonds (distance) P-C4' energy: -58.089
flat angles C4'-P-C4' energy: -60.250
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -38.217
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -576.188538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.188538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.188538 (E_RNA)
where:
Base-Base interactions energy: -376.730
where: short stacking energy: -180.858
Base-Backbone interact. energy: 1.073
local terms energy: -200.532170
where:
bonds (distance) C4'-P energy: -42.606
bonds (distance) P-C4' energy: -47.165
flat angles C4'-P-C4' energy: -47.485
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -27.213
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: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -469.932468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.932468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.932468 (E_RNA)
where:
Base-Base interactions energy: -274.986
where: short stacking energy: -138.668
Base-Backbone interact. energy: -0.926
local terms energy: -194.020805
where:
bonds (distance) C4'-P energy: -60.762
bonds (distance) P-C4' energy: -43.717
flat angles C4'-P-C4' energy: -43.502
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -27.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1075.670051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.670051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.670051 (E_RNA)
where:
Base-Base interactions energy: -742.836
where: short stacking energy: -338.181
Base-Backbone interact. energy: -0.282
local terms energy: -332.551956
where:
bonds (distance) C4'-P energy: -48.922
bonds (distance) P-C4' energy: -64.090
flat angles C4'-P-C4' energy: -71.246
flat angles P-C4'-P energy: -51.911
tors. eta vs tors. theta energy: -96.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1058.737987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.737987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.737987 (E_RNA)
where:
Base-Base interactions energy: -730.005
where: short stacking energy: -322.727
Base-Backbone interact. energy: -1.424
local terms energy: -327.308863
where:
bonds (distance) C4'-P energy: -55.298
bonds (distance) P-C4' energy: -59.390
flat angles C4'-P-C4' energy: -62.649
flat angles P-C4'-P energy: -53.591
tors. eta vs tors. theta energy: -96.381
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: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1019.348819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.348819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.348819 (E_RNA)
where:
Base-Base interactions energy: -724.650
where: short stacking energy: -315.261
Base-Backbone interact. energy: -1.396
local terms energy: -293.302700
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -49.665
flat angles C4'-P-C4' energy: -59.249
flat angles P-C4'-P energy: -45.544
tors. eta vs tors. theta energy: -84.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -912.130318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.130318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.130318 (E_RNA)
where:
Base-Base interactions energy: -646.060
where: short stacking energy: -264.316
Base-Backbone interact. energy: -1.125
local terms energy: -264.945043
where:
bonds (distance) C4'-P energy: -53.880
bonds (distance) P-C4' energy: -46.659
flat angles C4'-P-C4' energy: -56.028
flat angles P-C4'-P energy: -42.240
tors. eta vs tors. theta energy: -66.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -950.972303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.972303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.972303 (E_RNA)
where:
Base-Base interactions energy: -683.405
where: short stacking energy: -268.009
Base-Backbone interact. energy: 0.438
local terms energy: -268.005599
where:
bonds (distance) C4'-P energy: -41.984
bonds (distance) P-C4' energy: -59.850
flat angles C4'-P-C4' energy: -58.060
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -68.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -875.444948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.444948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.444948 (E_RNA)
where:
Base-Base interactions energy: -602.774
where: short stacking energy: -258.269
Base-Backbone interact. energy: -1.695
local terms energy: -270.976208
where:
bonds (distance) C4'-P energy: -54.422
bonds (distance) P-C4' energy: -45.725
flat angles C4'-P-C4' energy: -60.109
flat angles P-C4'-P energy: -44.471
tors. eta vs tors. theta energy: -66.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -785.978980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.978980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.978980 (E_RNA)
where:
Base-Base interactions energy: -535.013
where: short stacking energy: -228.162
Base-Backbone interact. energy: 1.109
local terms energy: -252.075018
where:
bonds (distance) C4'-P energy: -53.505
bonds (distance) P-C4' energy: -47.483
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -57.245
Dist. restrs. and SS energy: 0.000 (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: 310
Temperature: 1.250000
Total energy: -634.261295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.261295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.261295 (E_RNA)
where:
Base-Base interactions energy: -417.191
where: short stacking energy: -186.774
Base-Backbone interact. energy: -0.367
local terms energy: -216.702891
where:
bonds (distance) C4'-P energy: -55.524
bonds (distance) P-C4' energy: -58.689
flat angles C4'-P-C4' energy: -49.987
flat angles P-C4'-P energy: -14.483
tors. eta vs tors. theta energy: -38.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -549.937768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.937768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.937768 (E_RNA)
where:
Base-Base interactions energy: -338.071
where: short stacking energy: -169.229
Base-Backbone interact. energy: -1.454
local terms energy: -210.413432
where:
bonds (distance) C4'-P energy: -52.591
bonds (distance) P-C4' energy: -43.627
flat angles C4'-P-C4' energy: -44.816
flat angles P-C4'-P energy: -34.103
tors. eta vs tors. theta energy: -35.276
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: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -451.708273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.708273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.708273 (E_RNA)
where:
Base-Base interactions energy: -265.057
where: short stacking energy: -125.670
Base-Backbone interact. energy: -1.018
local terms energy: -185.633548
where:
bonds (distance) C4'-P energy: -44.931
bonds (distance) P-C4' energy: -49.207
flat angles C4'-P-C4' energy: -50.300
flat angles P-C4'-P energy: -21.982
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1093.308324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.308324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.308324 (E_RNA)
where:
Base-Base interactions energy: -754.812
where: short stacking energy: -317.659
Base-Backbone interact. energy: -0.276
local terms energy: -338.219840
where:
bonds (distance) C4'-P energy: -61.993
bonds (distance) P-C4' energy: -67.616
flat angles C4'-P-C4' energy: -64.040
flat angles P-C4'-P energy: -51.130
tors. eta vs tors. theta energy: -93.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1057.730475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.730475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.730475 (E_RNA)
where:
Base-Base interactions energy: -731.505
where: short stacking energy: -312.432
Base-Backbone interact. energy: -0.539
local terms energy: -325.686523
where:
bonds (distance) C4'-P energy: -70.904
bonds (distance) P-C4' energy: -55.495
flat angles C4'-P-C4' energy: -66.253
flat angles P-C4'-P energy: -38.739
tors. eta vs tors. theta energy: -94.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1006.285400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.285400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.285400 (E_RNA)
where:
Base-Base interactions energy: -704.803
where: short stacking energy: -321.229
Base-Backbone interact. energy: 0.332
local terms energy: -301.814667
where:
bonds (distance) C4'-P energy: -53.281
bonds (distance) P-C4' energy: -59.600
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -40.187
tors. eta vs tors. theta energy: -86.670
Dist. restrs. and SS energy: 0.000 (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: 311
Temperature: 1.050000
Total energy: -934.409794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.409794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.409794 (E_RNA)
where:
Base-Base interactions energy: -641.335
where: short stacking energy: -259.069
Base-Backbone interact. energy: -1.963
local terms energy: -291.112146
where:
bonds (distance) C4'-P energy: -60.534
bonds (distance) P-C4' energy: -56.742
flat angles C4'-P-C4' energy: -65.616
flat angles P-C4'-P energy: -40.410
tors. eta vs tors. theta energy: -67.810
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: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -941.345298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.345298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.345298 (E_RNA)
where:
Base-Base interactions energy: -679.767
where: short stacking energy: -266.422
Base-Backbone interact. energy: -1.591
local terms energy: -259.986319
where:
bonds (distance) C4'-P energy: -59.430
bonds (distance) P-C4' energy: -54.345
flat angles C4'-P-C4' energy: -55.101
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -65.937
Dist. restrs. and SS energy: 0.000 (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: 311
Temperature: 1.150000
Total energy: -868.276977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.276977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.276977 (E_RNA)
where:
Base-Base interactions energy: -602.712
where: short stacking energy: -245.295
Base-Backbone interact. energy: -2.684
local terms energy: -262.881164
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -55.224
flat angles C4'-P-C4' energy: -60.330
flat angles P-C4'-P energy: -38.277
tors. eta vs tors. theta energy: -56.854
Dist. restrs. and SS energy: 0.000 (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: 311
Temperature: 1.200000
Total energy: -758.215210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.215210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.215210 (E_RNA)
where:
Base-Base interactions energy: -503.549
where: short stacking energy: -243.781
Base-Backbone interact. energy: -0.008
local terms energy: -254.658202
where:
bonds (distance) C4'-P energy: -55.386
bonds (distance) P-C4' energy: -44.830
flat angles C4'-P-C4' energy: -60.361
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -59.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -673.575748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.575748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.575748 (E_RNA)
where:
Base-Base interactions energy: -428.707
where: short stacking energy: -189.508
Base-Backbone interact. energy: -0.142
local terms energy: -244.726911
where:
bonds (distance) C4'-P energy: -58.106
bonds (distance) P-C4' energy: -54.474
flat angles C4'-P-C4' energy: -49.030
flat angles P-C4'-P energy: -28.143
tors. eta vs tors. theta energy: -54.973
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: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -558.222928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.222928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.222928 (E_RNA)
where:
Base-Base interactions energy: -344.161
where: short stacking energy: -168.373
Base-Backbone interact. energy: -0.109
local terms energy: -213.953055
where:
bonds (distance) C4'-P energy: -53.970
bonds (distance) P-C4' energy: -49.638
flat angles C4'-P-C4' energy: -43.441
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -27.504
Dist. restrs. and SS energy: 0.000 (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: 311
Temperature: 1.350000
Total energy: -444.923473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.923473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.923473 (E_RNA)
where:
Base-Base interactions energy: -267.064
where: short stacking energy: -128.865
Base-Backbone interact. energy: 7.803
local terms energy: -185.661625
where:
bonds (distance) C4'-P energy: -45.753
bonds (distance) P-C4' energy: -59.972
flat angles C4'-P-C4' energy: -55.894
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -2.704
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: 1, replica: 10
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1084.669466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.669466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.669466 (E_RNA)
where:
Base-Base interactions energy: -756.377
where: short stacking energy: -321.801
Base-Backbone interact. energy: -1.006
local terms energy: -327.286702
where:
bonds (distance) C4'-P energy: -60.300
bonds (distance) P-C4' energy: -59.807
flat angles C4'-P-C4' energy: -66.801
flat angles P-C4'-P energy: -45.016
tors. eta vs tors. theta energy: -95.362
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: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1044.196085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.196085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.196085 (E_RNA)
where:
Base-Base interactions energy: -731.513
where: short stacking energy: -304.778
Base-Backbone interact. energy: 0.425
local terms energy: -313.107881
where:
bonds (distance) C4'-P energy: -60.208
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -66.939
flat angles P-C4'-P energy: -42.356
tors. eta vs tors. theta energy: -85.965
Dist. restrs. and SS energy: 0.000 (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: 312
Temperature: 1.000000
Total energy: -1012.175038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.175038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.175038 (E_RNA)
where:
Base-Base interactions energy: -685.831
where: short stacking energy: -317.678
Base-Backbone interact. energy: -2.418
local terms energy: -323.925999
where:
bonds (distance) C4'-P energy: -61.014
bonds (distance) P-C4' energy: -52.814
flat angles C4'-P-C4' energy: -70.973
flat angles P-C4'-P energy: -47.467
tors. eta vs tors. theta energy: -91.658
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: 4, replica: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -897.598095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.598095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.598095 (E_RNA)
where:
Base-Base interactions energy: -607.393
where: short stacking energy: -274.850
Base-Backbone interact. energy: -1.285
local terms energy: -288.920010
where:
bonds (distance) C4'-P energy: -49.144
bonds (distance) P-C4' energy: -54.763
flat angles C4'-P-C4' energy: -66.893
flat angles P-C4'-P energy: -49.099
tors. eta vs tors. theta energy: -69.021
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: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -895.561541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.561541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.561541 (E_RNA)
where:
Base-Base interactions energy: -620.202
where: short stacking energy: -266.437
Base-Backbone interact. energy: 3.660
local terms energy: -279.019527
where:
bonds (distance) C4'-P energy: -62.244
bonds (distance) P-C4' energy: -48.322
flat angles C4'-P-C4' energy: -63.534
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -66.460
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: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -915.512891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.512891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.512891 (E_RNA)
where:
Base-Base interactions energy: -630.431
where: short stacking energy: -264.080
Base-Backbone interact. energy: -0.815
local terms energy: -284.266855
where:
bonds (distance) C4'-P energy: -54.310
bonds (distance) P-C4' energy: -58.587
flat angles C4'-P-C4' energy: -64.007
flat angles P-C4'-P energy: -38.671
tors. eta vs tors. theta energy: -68.692
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: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -781.593995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.593995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.593995 (E_RNA)
where:
Base-Base interactions energy: -508.466
where: short stacking energy: -225.615
Base-Backbone interact. energy: -1.416
local terms energy: -271.711546
where:
bonds (distance) C4'-P energy: -55.974
bonds (distance) P-C4' energy: -57.514
flat angles C4'-P-C4' energy: -50.444
flat angles P-C4'-P energy: -48.494
tors. eta vs tors. theta energy: -59.285
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: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -700.865498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.865498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.865498 (E_RNA)
where:
Base-Base interactions energy: -460.392
where: short stacking energy: -216.731
Base-Backbone interact. energy: -0.600
local terms energy: -239.874051
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -51.614
flat angles C4'-P-C4' energy: -66.723
flat angles P-C4'-P energy: -32.424
tors. eta vs tors. theta energy: -48.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -584.479850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.479850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.479850 (E_RNA)
where:
Base-Base interactions energy: -370.729
where: short stacking energy: -171.899
Base-Backbone interact. energy: 0.580
local terms energy: -214.330999
where:
bonds (distance) C4'-P energy: -39.022
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -58.613
flat angles P-C4'-P energy: -23.279
tors. eta vs tors. theta energy: -35.617
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: 10, replica: 9
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -462.844716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.844716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.844716 (E_RNA)
where:
Base-Base interactions energy: -282.750
where: short stacking energy: -141.788
Base-Backbone interact. energy: -0.474
local terms energy: -179.620708
where:
bonds (distance) C4'-P energy: -39.699
bonds (distance) P-C4' energy: -40.747
flat angles C4'-P-C4' energy: -49.956
flat angles P-C4'-P energy: -30.530
tors. eta vs tors. theta energy: -18.689
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: 1, replica: 10
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1061.338994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.338994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.338994 (E_RNA)
where:
Base-Base interactions energy: -747.280
where: short stacking energy: -333.694
Base-Backbone interact. energy: -0.937
local terms energy: -313.121624
where:
bonds (distance) C4'-P energy: -53.057
bonds (distance) P-C4' energy: -57.279
flat angles C4'-P-C4' energy: -62.688
flat angles P-C4'-P energy: -51.575
tors. eta vs tors. theta energy: -88.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1038.968208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.968208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.968208 (E_RNA)
where:
Base-Base interactions energy: -711.831
where: short stacking energy: -316.671
Base-Backbone interact. energy: -0.304
local terms energy: -326.833989
where:
bonds (distance) C4'-P energy: -54.756
bonds (distance) P-C4' energy: -58.635
flat angles C4'-P-C4' energy: -71.783
flat angles P-C4'-P energy: -50.045
tors. eta vs tors. theta energy: -91.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1020.284729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.284729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.284729 (E_RNA)
where:
Base-Base interactions energy: -705.076
where: short stacking energy: -311.883
Base-Backbone interact. energy: -1.424
local terms energy: -313.784201
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -67.662
flat angles P-C4'-P energy: -52.623
tors. eta vs tors. theta energy: -93.135
Dist. restrs. and SS energy: 0.000 (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: 313
Temperature: 1.050000
Total energy: -918.583216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.583216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.583216 (E_RNA)
where:
Base-Base interactions energy: -626.874
where: short stacking energy: -290.632
Base-Backbone interact. energy: -2.211
local terms energy: -289.497933
where:
bonds (distance) C4'-P energy: -52.204
bonds (distance) P-C4' energy: -52.054
flat angles C4'-P-C4' energy: -67.202
flat angles P-C4'-P energy: -45.249
tors. eta vs tors. theta energy: -72.789
Dist. restrs. and SS energy: 0.000 (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: 313
Temperature: 1.100000
Total energy: -881.309769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.309769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.309769 (E_RNA)
where:
Base-Base interactions energy: -600.127
where: short stacking energy: -260.084
Base-Backbone interact. energy: -0.934
local terms energy: -280.248996
where:
bonds (distance) C4'-P energy: -48.920
bonds (distance) P-C4' energy: -58.104
flat angles C4'-P-C4' energy: -58.867
flat angles P-C4'-P energy: -42.271
tors. eta vs tors. theta energy: -72.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -902.334693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.334693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.334693 (E_RNA)
where:
Base-Base interactions energy: -639.788
where: short stacking energy: -242.204
Base-Backbone interact. energy: -1.562
local terms energy: -260.983852
where:
bonds (distance) C4'-P energy: -46.571
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -60.218
flat angles P-C4'-P energy: -45.637
tors. eta vs tors. theta energy: -60.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -734.599387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.599387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.599387 (E_RNA)
where:
Base-Base interactions energy: -494.578
where: short stacking energy: -227.895
Base-Backbone interact. energy: -0.360
local terms energy: -239.661196
where:
bonds (distance) C4'-P energy: -46.708
bonds (distance) P-C4' energy: -46.990
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -42.557
tors. eta vs tors. theta energy: -47.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -594.621456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.621456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.621456 (E_RNA)
where:
Base-Base interactions energy: -371.045
where: short stacking energy: -164.946
Base-Backbone interact. energy: -1.074
local terms energy: -222.503162
where:
bonds (distance) C4'-P energy: -46.019
bonds (distance) P-C4' energy: -48.211
flat angles C4'-P-C4' energy: -58.110
flat angles P-C4'-P energy: -40.100
tors. eta vs tors. theta energy: -30.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -649.249796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.249796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.249796 (E_RNA)
where:
Base-Base interactions energy: -431.135
where: short stacking energy: -179.866
Base-Backbone interact. energy: 0.095
local terms energy: -218.210146
where:
bonds (distance) C4'-P energy: -42.432
bonds (distance) P-C4' energy: -56.391
flat angles C4'-P-C4' energy: -44.706
flat angles P-C4'-P energy: -36.601
tors. eta vs tors. theta energy: -38.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -467.700596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.700596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.700596 (E_RNA)
where:
Base-Base interactions energy: -274.348
where: short stacking energy: -143.440
Base-Backbone interact. energy: -0.676
local terms energy: -192.676812
where:
bonds (distance) C4'-P energy: -44.828
bonds (distance) P-C4' energy: -41.667
flat angles C4'-P-C4' energy: -51.954
flat angles P-C4'-P energy: -38.392
tors. eta vs tors. theta energy: -15.836
Dist. restrs. and SS energy: 0.000 (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: 314
Temperature: 0.900000
Total energy: -1061.644559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.644559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.644559 (E_RNA)
where:
Base-Base interactions energy: -738.852
where: short stacking energy: -301.099
Base-Backbone interact. energy: -0.855
local terms energy: -321.937574
where:
bonds (distance) C4'-P energy: -58.481
bonds (distance) P-C4' energy: -71.289
flat angles C4'-P-C4' energy: -62.145
flat angles P-C4'-P energy: -43.485
tors. eta vs tors. theta energy: -86.536
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: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1053.589112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.589112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.589112 (E_RNA)
where:
Base-Base interactions energy: -728.538
where: short stacking energy: -332.583
Base-Backbone interact. energy: -0.705
local terms energy: -324.346564
where:
bonds (distance) C4'-P energy: -54.003
bonds (distance) P-C4' energy: -63.592
flat angles C4'-P-C4' energy: -70.791
flat angles P-C4'-P energy: -42.301
tors. eta vs tors. theta energy: -93.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1029.877726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.877726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.877726 (E_RNA)
where:
Base-Base interactions energy: -697.717
where: short stacking energy: -313.346
Base-Backbone interact. energy: -1.917
local terms energy: -330.243586
where:
bonds (distance) C4'-P energy: -60.300
bonds (distance) P-C4' energy: -58.832
flat angles C4'-P-C4' energy: -66.588
flat angles P-C4'-P energy: -47.865
tors. eta vs tors. theta energy: -96.659
Dist. restrs. and SS energy: 0.000 (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: 314
Temperature: 1.050000
Total energy: -925.136541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.136541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.136541 (E_RNA)
where:
Base-Base interactions energy: -637.561
where: short stacking energy: -258.847
Base-Backbone interact. energy: -1.673
local terms energy: -285.902481
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -53.091
flat angles C4'-P-C4' energy: -64.776
flat angles P-C4'-P energy: -44.883
tors. eta vs tors. theta energy: -69.622
Dist. restrs. and SS energy: 0.000 (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: 314
Temperature: 1.100000
Total energy: -872.985489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.985489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.985489 (E_RNA)
where:
Base-Base interactions energy: -598.727
where: short stacking energy: -259.186
Base-Backbone interact. energy: -0.660
local terms energy: -273.599003
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -46.040
flat angles C4'-P-C4' energy: -61.559
flat angles P-C4'-P energy: -36.311
tors. eta vs tors. theta energy: -76.372
Dist. restrs. and SS energy: 0.000 (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: 314
Temperature: 1.150000
Total energy: -894.259089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.259089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.259089 (E_RNA)
where:
Base-Base interactions energy: -629.791
where: short stacking energy: -243.391
Base-Backbone interact. energy: -0.793
local terms energy: -263.675726
where:
bonds (distance) C4'-P energy: -52.805
bonds (distance) P-C4' energy: -53.777
flat angles C4'-P-C4' energy: -52.112
flat angles P-C4'-P energy: -38.252
tors. eta vs tors. theta energy: -66.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -752.126364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.126364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.126364 (E_RNA)
where:
Base-Base interactions energy: -517.367
where: short stacking energy: -223.173
Base-Backbone interact. energy: 1.350
local terms energy: -236.109358
where:
bonds (distance) C4'-P energy: -41.623
bonds (distance) P-C4' energy: -41.512
flat angles C4'-P-C4' energy: -71.239
flat angles P-C4'-P energy: -33.746
tors. eta vs tors. theta energy: -47.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -587.002489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.002489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.002489 (E_RNA)
where:
Base-Base interactions energy: -376.186
where: short stacking energy: -180.420
Base-Backbone interact. energy: 0.793
local terms energy: -211.610321
where:
bonds (distance) C4'-P energy: -42.854
bonds (distance) P-C4' energy: -40.402
flat angles C4'-P-C4' energy: -55.595
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -35.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -655.752012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.752012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.752012 (E_RNA)
where:
Base-Base interactions energy: -419.827
where: short stacking energy: -187.298
Base-Backbone interact. energy: -0.362
local terms energy: -235.563191
where:
bonds (distance) C4'-P energy: -47.964
bonds (distance) P-C4' energy: -61.822
flat angles C4'-P-C4' energy: -42.026
flat angles P-C4'-P energy: -35.975
tors. eta vs tors. theta energy: -47.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -442.630431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.630431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.630431 (E_RNA)
where:
Base-Base interactions energy: -250.283
where: short stacking energy: -127.884
Base-Backbone interact. energy: -0.704
local terms energy: -191.643360
where:
bonds (distance) C4'-P energy: -51.460
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -47.839
flat angles P-C4'-P energy: -28.972
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1059.009439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.009439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.009439 (E_RNA)
where:
Base-Base interactions energy: -746.335
where: short stacking energy: -300.441
Base-Backbone interact. energy: -2.278
local terms energy: -310.396481
where:
bonds (distance) C4'-P energy: -62.595
bonds (distance) P-C4' energy: -57.691
flat angles C4'-P-C4' energy: -64.714
flat angles P-C4'-P energy: -48.395
tors. eta vs tors. theta energy: -77.002
Dist. restrs. and SS energy: 0.000 (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: 315
Temperature: 0.950000
Total energy: -1070.290847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.290847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.290847 (E_RNA)
where:
Base-Base interactions energy: -738.482
where: short stacking energy: -322.404
Base-Backbone interact. energy: -0.589
local terms energy: -331.220144
where:
bonds (distance) C4'-P energy: -62.896
bonds (distance) P-C4' energy: -63.021
flat angles C4'-P-C4' energy: -69.475
flat angles P-C4'-P energy: -48.825
tors. eta vs tors. theta energy: -87.004
Dist. restrs. and SS energy: 0.000 (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: 315
Temperature: 1.000000
Total energy: -1011.134079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.134079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.134079 (E_RNA)
where:
Base-Base interactions energy: -711.388
where: short stacking energy: -294.677
Base-Backbone interact. energy: -0.364
local terms energy: -299.381875
where:
bonds (distance) C4'-P energy: -42.731
bonds (distance) P-C4' energy: -54.469
flat angles C4'-P-C4' energy: -72.342
flat angles P-C4'-P energy: -42.697
tors. eta vs tors. theta energy: -87.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -922.201442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.201442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.201442 (E_RNA)
where:
Base-Base interactions energy: -645.618
where: short stacking energy: -272.084
Base-Backbone interact. energy: 0.530
local terms energy: -277.113816
where:
bonds (distance) C4'-P energy: -42.054
bonds (distance) P-C4' energy: -62.081
flat angles C4'-P-C4' energy: -59.024
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -69.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -856.555686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.555686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.555686 (E_RNA)
where:
Base-Base interactions energy: -571.959
where: short stacking energy: -253.610
Base-Backbone interact. energy: -0.355
local terms energy: -284.242308
where:
bonds (distance) C4'-P energy: -53.701
bonds (distance) P-C4' energy: -55.693
flat angles C4'-P-C4' energy: -55.275
flat angles P-C4'-P energy: -48.628
tors. eta vs tors. theta energy: -70.946
Dist. restrs. and SS energy: 0.000 (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: 315
Temperature: 1.150000
Total energy: -864.920499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.920499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.920499 (E_RNA)
where:
Base-Base interactions energy: -590.099
where: short stacking energy: -263.007
Base-Backbone interact. energy: -1.071
local terms energy: -273.750498
where:
bonds (distance) C4'-P energy: -47.765
bonds (distance) P-C4' energy: -58.131
flat angles C4'-P-C4' energy: -56.802
flat angles P-C4'-P energy: -38.233
tors. eta vs tors. theta energy: -72.818
Dist. restrs. and SS energy: 0.000 (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: 315
Temperature: 1.200000
Total energy: -799.067447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.067447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.067447 (E_RNA)
where:
Base-Base interactions energy: -523.346
where: short stacking energy: -237.865
Base-Backbone interact. energy: -0.856
local terms energy: -274.866075
where:
bonds (distance) C4'-P energy: -53.105
bonds (distance) P-C4' energy: -46.034
flat angles C4'-P-C4' energy: -57.796
flat angles P-C4'-P energy: -50.285
tors. eta vs tors. theta energy: -67.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -708.464254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.464254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.464254 (E_RNA)
where:
Base-Base interactions energy: -445.696
where: short stacking energy: -204.135
Base-Backbone interact. energy: -1.462
local terms energy: -261.305959
where:
bonds (distance) C4'-P energy: -55.200
bonds (distance) P-C4' energy: -63.463
flat angles C4'-P-C4' energy: -61.398
flat angles P-C4'-P energy: -30.975
tors. eta vs tors. theta energy: -50.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -569.434970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.434970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.434970 (E_RNA)
where:
Base-Base interactions energy: -372.271
where: short stacking energy: -170.781
Base-Backbone interact. energy: 1.007
local terms energy: -198.170905
where:
bonds (distance) C4'-P energy: -54.490
bonds (distance) P-C4' energy: -57.594
flat angles C4'-P-C4' energy: -38.074
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -34.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -476.135990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.135990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.135990 (E_RNA)
where:
Base-Base interactions energy: -277.087
where: short stacking energy: -135.133
Base-Backbone interact. energy: -0.710
local terms energy: -198.339100
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -61.106
flat angles C4'-P-C4' energy: -40.689
flat angles P-C4'-P energy: -40.257
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: 1, replica: 10
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1084.158875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.158875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.158875 (E_RNA)
where:
Base-Base interactions energy: -747.730
where: short stacking energy: -319.977
Base-Backbone interact. energy: 0.025
local terms energy: -336.453117
where:
bonds (distance) C4'-P energy: -62.192
bonds (distance) P-C4' energy: -64.242
flat angles C4'-P-C4' energy: -65.040
flat angles P-C4'-P energy: -52.782
tors. eta vs tors. theta energy: -92.196
Dist. restrs. and SS energy: 0.000 (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: 316
Temperature: 0.950000
Total energy: -1039.607218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.607218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.607218 (E_RNA)
where:
Base-Base interactions energy: -719.063
where: short stacking energy: -307.112
Base-Backbone interact. energy: -0.777
local terms energy: -319.766952
where:
bonds (distance) C4'-P energy: -59.949
bonds (distance) P-C4' energy: -60.202
flat angles C4'-P-C4' energy: -68.786
flat angles P-C4'-P energy: -42.637
tors. eta vs tors. theta energy: -88.192
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: 3, replica: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1029.320793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.320793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.320793 (E_RNA)
where:
Base-Base interactions energy: -703.510
where: short stacking energy: -301.099
Base-Backbone interact. energy: -1.650
local terms energy: -324.160392
where:
bonds (distance) C4'-P energy: -54.596
bonds (distance) P-C4' energy: -56.657
flat angles C4'-P-C4' energy: -70.481
flat angles P-C4'-P energy: -50.051
tors. eta vs tors. theta energy: -92.376
Dist. restrs. and SS energy: 0.000 (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: 316
Temperature: 1.050000
Total energy: -910.027656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.027656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.027656 (E_RNA)
where:
Base-Base interactions energy: -625.274
where: short stacking energy: -264.353
Base-Backbone interact. energy: -0.909
local terms energy: -283.844775
where:
bonds (distance) C4'-P energy: -61.553
bonds (distance) P-C4' energy: -55.827
flat angles C4'-P-C4' energy: -54.748
flat angles P-C4'-P energy: -45.504
tors. eta vs tors. theta energy: -66.213
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -863.534730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.534730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.534730 (E_RNA)
where:
Base-Base interactions energy: -587.413
where: short stacking energy: -268.977
Base-Backbone interact. energy: -2.385
local terms energy: -273.736541
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -56.578
flat angles C4'-P-C4' energy: -60.470
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -69.918
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: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -895.510131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.510131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.510131 (E_RNA)
where:
Base-Base interactions energy: -616.763
where: short stacking energy: -271.947
Base-Backbone interact. energy: -1.340
local terms energy: -277.406774
where:
bonds (distance) C4'-P energy: -48.599
bonds (distance) P-C4' energy: -50.482
flat angles C4'-P-C4' energy: -62.115
flat angles P-C4'-P energy: -38.187
tors. eta vs tors. theta energy: -78.024
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: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -787.241372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.241372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.241372 (E_RNA)
where:
Base-Base interactions energy: -528.320
where: short stacking energy: -234.446
Base-Backbone interact. energy: -0.254
local terms energy: -258.667250
where:
bonds (distance) C4'-P energy: -54.160
bonds (distance) P-C4' energy: -50.486
flat angles C4'-P-C4' energy: -54.102
flat angles P-C4'-P energy: -36.256
tors. eta vs tors. theta energy: -63.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -689.459609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.459609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.459609 (E_RNA)
where:
Base-Base interactions energy: -451.429
where: short stacking energy: -209.589
Base-Backbone interact. energy: 0.479
local terms energy: -238.510531
where:
bonds (distance) C4'-P energy: -40.981
bonds (distance) P-C4' energy: -55.015
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -38.459
tors. eta vs tors. theta energy: -49.693
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: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -560.505877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.505877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.505877 (E_RNA)
where:
Base-Base interactions energy: -358.382
where: short stacking energy: -154.294
Base-Backbone interact. energy: -2.607
local terms energy: -199.517343
where:
bonds (distance) C4'-P energy: -45.823
bonds (distance) P-C4' energy: -43.905
flat angles C4'-P-C4' energy: -59.210
flat angles P-C4'-P energy: -25.155
tors. eta vs tors. theta energy: -25.424
Dist. restrs. and SS energy: 0.000 (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: 316
Temperature: 1.350000
Total energy: -484.569379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.569379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.569379 (E_RNA)
where:
Base-Base interactions energy: -286.443
where: short stacking energy: -149.367
Base-Backbone interact. energy: 5.063
local terms energy: -203.188905
where:
bonds (distance) C4'-P energy: -47.529
bonds (distance) P-C4' energy: -58.246
flat angles C4'-P-C4' energy: -40.050
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1078.684252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.684252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.684252 (E_RNA)
where:
Base-Base interactions energy: -735.552
where: short stacking energy: -318.526
Base-Backbone interact. energy: -0.511
local terms energy: -342.621025
where:
bonds (distance) C4'-P energy: -60.948
bonds (distance) P-C4' energy: -61.435
flat angles C4'-P-C4' energy: -78.170
flat angles P-C4'-P energy: -52.989
tors. eta vs tors. theta energy: -89.078
Dist. restrs. and SS energy: 0.000 (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: 317
Temperature: 0.950000
Total energy: -1043.708660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.708660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.708660 (E_RNA)
where:
Base-Base interactions energy: -725.899
where: short stacking energy: -300.811
Base-Backbone interact. energy: -0.395
local terms energy: -317.414897
where:
bonds (distance) C4'-P energy: -57.949
bonds (distance) P-C4' energy: -61.429
flat angles C4'-P-C4' energy: -69.499
flat angles P-C4'-P energy: -45.544
tors. eta vs tors. theta energy: -82.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1017.091233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.091233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.091233 (E_RNA)
where:
Base-Base interactions energy: -713.787
where: short stacking energy: -300.916
Base-Backbone interact. energy: -1.667
local terms energy: -301.637324
where:
bonds (distance) C4'-P energy: -60.784
bonds (distance) P-C4' energy: -56.020
flat angles C4'-P-C4' energy: -66.822
flat angles P-C4'-P energy: -35.219
tors. eta vs tors. theta energy: -82.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -921.901051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.901051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.901051 (E_RNA)
where:
Base-Base interactions energy: -607.446
where: short stacking energy: -267.592
Base-Backbone interact. energy: -1.840
local terms energy: -312.615418
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -64.474
flat angles C4'-P-C4' energy: -61.483
flat angles P-C4'-P energy: -56.995
tors. eta vs tors. theta energy: -75.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -904.455201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.455201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.455201 (E_RNA)
where:
Base-Base interactions energy: -633.024
where: short stacking energy: -272.709
Base-Backbone interact. energy: -1.234
local terms energy: -270.196759
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -60.447
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -68.437
Dist. restrs. and SS energy: 0.000 (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: 317
Temperature: 1.150000
Total energy: -860.416227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.416227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.416227 (E_RNA)
where:
Base-Base interactions energy: -600.928
where: short stacking energy: -265.631
Base-Backbone interact. energy: -0.099
local terms energy: -259.388940
where:
bonds (distance) C4'-P energy: -42.909
bonds (distance) P-C4' energy: -51.452
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -68.936
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: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -802.391297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.391297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.391297 (E_RNA)
where:
Base-Base interactions energy: -551.567
where: short stacking energy: -235.191
Base-Backbone interact. energy: -1.030
local terms energy: -249.794159
where:
bonds (distance) C4'-P energy: -39.933
bonds (distance) P-C4' energy: -53.715
flat angles C4'-P-C4' energy: -58.620
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -59.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -702.190246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.190246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.190246 (E_RNA)
where:
Base-Base interactions energy: -464.207
where: short stacking energy: -193.443
Base-Backbone interact. energy: -0.970
local terms energy: -237.012596
where:
bonds (distance) C4'-P energy: -48.309
bonds (distance) P-C4' energy: -53.130
flat angles C4'-P-C4' energy: -51.347
flat angles P-C4'-P energy: -32.529
tors. eta vs tors. theta energy: -51.697
Dist. restrs. and SS energy: 0.000 (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: 317
Temperature: 1.300000
Total energy: -592.446298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.446298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.446298 (E_RNA)
where:
Base-Base interactions energy: -360.191
where: short stacking energy: -170.939
Base-Backbone interact. energy: 0.435
local terms energy: -232.690053
where:
bonds (distance) C4'-P energy: -54.765
bonds (distance) P-C4' energy: -52.103
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -36.749
Dist. restrs. and SS energy: 0.000 (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: 317
Temperature: 1.350000
Total energy: -463.767404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.767404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.767404 (E_RNA)
where:
Base-Base interactions energy: -266.713
where: short stacking energy: -136.037
Base-Backbone interact. energy: -3.254
local terms energy: -193.800866
where:
bonds (distance) C4'-P energy: -61.884
bonds (distance) P-C4' energy: -51.469
flat angles C4'-P-C4' energy: -43.925
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (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: 318
Temperature: 0.900000
Total energy: -1070.839075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.839075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.839075 (E_RNA)
where:
Base-Base interactions energy: -725.997
where: short stacking energy: -327.424
Base-Backbone interact. energy: -0.210
local terms energy: -344.631944
where:
bonds (distance) C4'-P energy: -68.011
bonds (distance) P-C4' energy: -56.815
flat angles C4'-P-C4' energy: -67.754
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -99.642
Dist. restrs. and SS energy: 0.000 (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: 318
Temperature: 0.950000
Total energy: -1018.312368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.312368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.312368 (E_RNA)
where:
Base-Base interactions energy: -705.462
where: short stacking energy: -302.722
Base-Backbone interact. energy: -0.353
local terms energy: -312.497582
where:
bonds (distance) C4'-P energy: -57.266
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -72.599
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: -87.088
Dist. restrs. and SS energy: 0.000 (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: 318
Temperature: 1.000000
Total energy: -1022.047885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.047885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.047885 (E_RNA)
where:
Base-Base interactions energy: -712.638
where: short stacking energy: -305.093
Base-Backbone interact. energy: -0.099
local terms energy: -309.310469
where:
bonds (distance) C4'-P energy: -58.208
bonds (distance) P-C4' energy: -59.052
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -42.844
tors. eta vs tors. theta energy: -85.839
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: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -890.581275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.581275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.581275 (E_RNA)
where:
Base-Base interactions energy: -607.237
where: short stacking energy: -270.476
Base-Backbone interact. energy: -2.460
local terms energy: -280.884336
where:
bonds (distance) C4'-P energy: -54.617
bonds (distance) P-C4' energy: -55.296
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -43.569
tors. eta vs tors. theta energy: -64.352
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: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -915.799893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.799893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.799893 (E_RNA)
where:
Base-Base interactions energy: -638.819
where: short stacking energy: -277.000
Base-Backbone interact. energy: -0.134
local terms energy: -276.847560
where:
bonds (distance) C4'-P energy: -50.434
bonds (distance) P-C4' energy: -42.424
flat angles C4'-P-C4' energy: -68.142
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -71.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -857.475891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.475891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.475891 (E_RNA)
where:
Base-Base interactions energy: -598.567
where: short stacking energy: -260.083
Base-Backbone interact. energy: 1.309
local terms energy: -260.218176
where:
bonds (distance) C4'-P energy: -48.709
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -57.689
flat angles P-C4'-P energy: -36.585
tors. eta vs tors. theta energy: -69.291
Dist. restrs. and SS energy: 0.000 (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: 318
Temperature: 1.200000
Total energy: -760.382953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.382953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.382953 (E_RNA)
where:
Base-Base interactions energy: -516.067
where: short stacking energy: -230.498
Base-Backbone interact. energy: 1.856
local terms energy: -246.171698
where:
bonds (distance) C4'-P energy: -54.484
bonds (distance) P-C4' energy: -56.235
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -27.342
tors. eta vs tors. theta energy: -58.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -720.107523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.107523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.107523 (E_RNA)
where:
Base-Base interactions energy: -473.962
where: short stacking energy: -219.673
Base-Backbone interact. energy: -0.216
local terms energy: -245.929385
where:
bonds (distance) C4'-P energy: -46.892
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -65.037
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -52.175
Dist. restrs. and SS energy: 0.000 (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: 318
Temperature: 1.300000
Total energy: -567.773912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.773912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.773912 (E_RNA)
where:
Base-Base interactions energy: -355.876
where: short stacking energy: -161.464
Base-Backbone interact. energy: -2.042
local terms energy: -209.855168
where:
bonds (distance) C4'-P energy: -36.923
bonds (distance) P-C4' energy: -55.891
flat angles C4'-P-C4' energy: -55.314
flat angles P-C4'-P energy: -32.278
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -485.528486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.528486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.528486 (E_RNA)
where:
Base-Base interactions energy: -299.337
where: short stacking energy: -161.187
Base-Backbone interact. energy: 0.549
local terms energy: -186.741093
where:
bonds (distance) C4'-P energy: -44.135
bonds (distance) P-C4' energy: -40.382
flat angles C4'-P-C4' energy: -48.736
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -24.038
Dist. restrs. and SS energy: 0.000 (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: 319
Temperature: 0.900000
Total energy: -1074.259276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.259276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.259276 (E_RNA)
where:
Base-Base interactions energy: -748.496
where: short stacking energy: -329.717
Base-Backbone interact. energy: 0.279
local terms energy: -326.041868
where:
bonds (distance) C4'-P energy: -49.615
bonds (distance) P-C4' energy: -62.001
flat angles C4'-P-C4' energy: -67.516
flat angles P-C4'-P energy: -49.711
tors. eta vs tors. theta energy: -97.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1030.929846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.929846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.929846 (E_RNA)
where:
Base-Base interactions energy: -711.774
where: short stacking energy: -293.295
Base-Backbone interact. energy: -1.996
local terms energy: -317.159544
where:
bonds (distance) C4'-P energy: -60.107
bonds (distance) P-C4' energy: -63.023
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -91.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1005.488005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.488005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.488005 (E_RNA)
where:
Base-Base interactions energy: -708.088
where: short stacking energy: -308.229
Base-Backbone interact. energy: -0.981
local terms energy: -296.419486
where:
bonds (distance) C4'-P energy: -56.300
bonds (distance) P-C4' energy: -54.925
flat angles C4'-P-C4' energy: -68.001
flat angles P-C4'-P energy: -30.775
tors. eta vs tors. theta energy: -86.418
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -937.267435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.267435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.267435 (E_RNA)
where:
Base-Base interactions energy: -641.387
where: short stacking energy: -306.586
Base-Backbone interact. energy: -0.465
local terms energy: -295.414868
where:
bonds (distance) C4'-P energy: -48.669
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -66.310
flat angles P-C4'-P energy: -44.214
tors. eta vs tors. theta energy: -82.294
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: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -888.745846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.745846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.745846 (E_RNA)
where:
Base-Base interactions energy: -616.112
where: short stacking energy: -263.647
Base-Backbone interact. energy: -1.390
local terms energy: -271.243496
where:
bonds (distance) C4'-P energy: -49.982
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -64.102
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: -64.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -821.781468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.781468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.781468 (E_RNA)
where:
Base-Base interactions energy: -564.677
where: short stacking energy: -262.284
Base-Backbone interact. energy: 0.383
local terms energy: -257.487318
where:
bonds (distance) C4'-P energy: -53.249
bonds (distance) P-C4' energy: -43.051
flat angles C4'-P-C4' energy: -57.110
flat angles P-C4'-P energy: -38.044
tors. eta vs tors. theta energy: -66.032
Dist. restrs. and SS energy: 0.000 (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: 319
Temperature: 1.200000
Total energy: -837.937649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.937649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.937649 (E_RNA)
where:
Base-Base interactions energy: -571.811
where: short stacking energy: -238.334
Base-Backbone interact. energy: -0.476
local terms energy: -265.650305
where:
bonds (distance) C4'-P energy: -43.895
bonds (distance) P-C4' energy: -63.030
flat angles C4'-P-C4' energy: -67.816
flat angles P-C4'-P energy: -29.958
tors. eta vs tors. theta energy: -60.951
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: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -736.978646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.978646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.978646 (E_RNA)
where:
Base-Base interactions energy: -496.317
where: short stacking energy: -226.164
Base-Backbone interact. energy: -1.105
local terms energy: -239.556277
where:
bonds (distance) C4'-P energy: -44.799
bonds (distance) P-C4' energy: -48.754
flat angles C4'-P-C4' energy: -46.916
flat angles P-C4'-P energy: -36.296
tors. eta vs tors. theta energy: -62.791
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: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -580.513542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.513542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.513542 (E_RNA)
where:
Base-Base interactions energy: -363.254
where: short stacking energy: -177.499
Base-Backbone interact. energy: 1.513
local terms energy: -218.772345
where:
bonds (distance) C4'-P energy: -58.049
bonds (distance) P-C4' energy: -51.640
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -39.214
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: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -514.651852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.651852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.651852 (E_RNA)
where:
Base-Base interactions energy: -347.389
where: short stacking energy: -168.030
Base-Backbone interact. energy: 0.007
local terms energy: -167.269755
where:
bonds (distance) C4'-P energy: -34.223
bonds (distance) P-C4' energy: -37.330
flat angles C4'-P-C4' energy: -42.594
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -30.268
Dist. restrs. and SS energy: 0.000 (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: 320
Temperature: 0.900000
Total energy: -1079.317619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.317619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.317619 (E_RNA)
where:
Base-Base interactions energy: -741.239
where: short stacking energy: -331.195
Base-Backbone interact. energy: 1.489
local terms energy: -339.567662
where:
bonds (distance) C4'-P energy: -52.682
bonds (distance) P-C4' energy: -68.893
flat angles C4'-P-C4' energy: -70.310
flat angles P-C4'-P energy: -47.250
tors. eta vs tors. theta energy: -100.432
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: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1056.170049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.170049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.170049 (E_RNA)
where:
Base-Base interactions energy: -716.708
where: short stacking energy: -306.880
Base-Backbone interact. energy: -2.312
local terms energy: -337.150155
where:
bonds (distance) C4'-P energy: -67.941
bonds (distance) P-C4' energy: -60.992
flat angles C4'-P-C4' energy: -72.863
flat angles P-C4'-P energy: -44.217
tors. eta vs tors. theta energy: -91.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1015.634529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.634529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.634529 (E_RNA)
where:
Base-Base interactions energy: -707.012
where: short stacking energy: -293.528
Base-Backbone interact. energy: -0.295
local terms energy: -308.327525
where:
bonds (distance) C4'-P energy: -53.791
bonds (distance) P-C4' energy: -59.449
flat angles C4'-P-C4' energy: -58.740
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -92.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -902.635799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.635799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.635799 (E_RNA)
where:
Base-Base interactions energy: -606.234
where: short stacking energy: -279.379
Base-Backbone interact. energy: -0.247
local terms energy: -296.154689
where:
bonds (distance) C4'-P energy: -50.001
bonds (distance) P-C4' energy: -64.125
flat angles C4'-P-C4' energy: -57.337
flat angles P-C4'-P energy: -54.876
tors. eta vs tors. theta energy: -69.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -886.778962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.778962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.778962 (E_RNA)
where:
Base-Base interactions energy: -615.536
where: short stacking energy: -258.895
Base-Backbone interact. energy: -0.501
local terms energy: -270.742642
where:
bonds (distance) C4'-P energy: -43.119
bonds (distance) P-C4' energy: -55.497
flat angles C4'-P-C4' energy: -60.078
flat angles P-C4'-P energy: -41.206
tors. eta vs tors. theta energy: -70.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -801.114666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.114666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.114666 (E_RNA)
where:
Base-Base interactions energy: -533.916
where: short stacking energy: -236.930
Base-Backbone interact. energy: -0.894
local terms energy: -266.304481
where:
bonds (distance) C4'-P energy: -43.064
bonds (distance) P-C4' energy: -52.349
flat angles C4'-P-C4' energy: -68.918
flat angles P-C4'-P energy: -34.689
tors. eta vs tors. theta energy: -67.283
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: 7, replica: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -822.711818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.711818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.711818 (E_RNA)
where:
Base-Base interactions energy: -571.773
where: short stacking energy: -252.734
Base-Backbone interact. energy: -0.687
local terms energy: -250.251935
where:
bonds (distance) C4'-P energy: -47.943
bonds (distance) P-C4' energy: -48.539
flat angles C4'-P-C4' energy: -59.663
flat angles P-C4'-P energy: -26.844
tors. eta vs tors. theta energy: -67.264
Dist. restrs. and SS energy: 0.000 (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: 320
Temperature: 1.250000
Total energy: -690.598430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.598430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.598430 (E_RNA)
where:
Base-Base interactions energy: -473.948
where: short stacking energy: -213.001
Base-Backbone interact. energy: 1.512
local terms energy: -218.162236
where:
bonds (distance) C4'-P energy: -34.755
bonds (distance) P-C4' energy: -54.815
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -34.304
tors. eta vs tors. theta energy: -37.092
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: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -498.135733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.135733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.135733 (E_RNA)
where:
Base-Base interactions energy: -302.208
where: short stacking energy: -148.701
Base-Backbone interact. energy: -0.116
local terms energy: -195.811187
where:
bonds (distance) C4'-P energy: -53.768
bonds (distance) P-C4' energy: -39.629
flat angles C4'-P-C4' energy: -43.025
flat angles P-C4'-P energy: -36.111
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -533.370288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.370288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.370288 (E_RNA)
where:
Base-Base interactions energy: -327.518
where: short stacking energy: -141.414
Base-Backbone interact. energy: -1.367
local terms energy: -204.485819
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -58.688
flat angles P-C4'-P energy: -25.690
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (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: 321
Temperature: 0.900000
Total energy: -1063.948858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.948858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.948858 (E_RNA)
where:
Base-Base interactions energy: -735.563
where: short stacking energy: -337.244
Base-Backbone interact. energy: -1.049
local terms energy: -327.337042
where:
bonds (distance) C4'-P energy: -63.347
bonds (distance) P-C4' energy: -59.633
flat angles C4'-P-C4' energy: -67.554
flat angles P-C4'-P energy: -45.486
tors. eta vs tors. theta energy: -91.318
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: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1046.186830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.186830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.186830 (E_RNA)
where:
Base-Base interactions energy: -729.271
where: short stacking energy: -311.403
Base-Backbone interact. energy: -3.236
local terms energy: -313.679650
where:
bonds (distance) C4'-P energy: -52.976
bonds (distance) P-C4' energy: -65.931
flat angles C4'-P-C4' energy: -63.720
flat angles P-C4'-P energy: -44.853
tors. eta vs tors. theta energy: -86.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1029.772068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.772068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.772068 (E_RNA)
where:
Base-Base interactions energy: -716.961
where: short stacking energy: -292.397
Base-Backbone interact. energy: -1.275
local terms energy: -311.535954
where:
bonds (distance) C4'-P energy: -53.706
bonds (distance) P-C4' energy: -67.165
flat angles C4'-P-C4' energy: -61.683
flat angles P-C4'-P energy: -46.266
tors. eta vs tors. theta energy: -82.717
Dist. restrs. and SS energy: 0.000 (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: 321
Temperature: 1.050000
Total energy: -888.245039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.245039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.245039 (E_RNA)
where:
Base-Base interactions energy: -602.616
where: short stacking energy: -252.299
Base-Backbone interact. energy: -1.582
local terms energy: -284.047326
where:
bonds (distance) C4'-P energy: -51.175
bonds (distance) P-C4' energy: -60.240
flat angles C4'-P-C4' energy: -61.146
flat angles P-C4'-P energy: -45.553
tors. eta vs tors. theta energy: -65.934
Dist. restrs. and SS energy: 0.000 (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: 321
Temperature: 1.100000
Total energy: -878.957472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.957472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.957472 (E_RNA)
where:
Base-Base interactions energy: -596.630
where: short stacking energy: -246.510
Base-Backbone interact. energy: -2.212
local terms energy: -280.115398
where:
bonds (distance) C4'-P energy: -57.607
bonds (distance) P-C4' energy: -47.162
flat angles C4'-P-C4' energy: -63.348
flat angles P-C4'-P energy: -44.896
tors. eta vs tors. theta energy: -67.103
Dist. restrs. and SS energy: 0.000 (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: 321
Temperature: 1.150000
Total energy: -883.518495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.518495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.518495 (E_RNA)
where:
Base-Base interactions energy: -612.031
where: short stacking energy: -252.014
Base-Backbone interact. energy: 0.791
local terms energy: -272.278809
where:
bonds (distance) C4'-P energy: -52.010
bonds (distance) P-C4' energy: -52.204
flat angles C4'-P-C4' energy: -65.016
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -62.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -779.532134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.532134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.532134 (E_RNA)
where:
Base-Base interactions energy: -523.995
where: short stacking energy: -224.109
Base-Backbone interact. energy: 2.142
local terms energy: -257.678414
where:
bonds (distance) C4'-P energy: -47.167
bonds (distance) P-C4' energy: -53.394
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -35.340
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (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: 321
Temperature: 1.250000
Total energy: -666.648241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.648241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.648241 (E_RNA)
where:
Base-Base interactions energy: -425.867
where: short stacking energy: -202.404
Base-Backbone interact. energy: -1.059
local terms energy: -239.721870
where:
bonds (distance) C4'-P energy: -44.575
bonds (distance) P-C4' energy: -50.725
flat angles C4'-P-C4' energy: -61.563
flat angles P-C4'-P energy: -37.012
tors. eta vs tors. theta energy: -45.846
Dist. restrs. and SS energy: 0.000 (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: 321
Temperature: 1.300000
Total energy: -479.518460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.518460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.518460 (E_RNA)
where:
Base-Base interactions energy: -279.566
where: short stacking energy: -121.677
Base-Backbone interact. energy: -2.767
local terms energy: -197.185341
where:
bonds (distance) C4'-P energy: -53.170
bonds (distance) P-C4' energy: -56.856
flat angles C4'-P-C4' energy: -53.771
flat angles P-C4'-P energy: -22.396
tors. eta vs tors. theta energy: -10.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -520.596027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.596027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.596027 (E_RNA)
where:
Base-Base interactions energy: -318.586
where: short stacking energy: -145.618
Base-Backbone interact. energy: -1.670
local terms energy: -200.339782
where:
bonds (distance) C4'-P energy: -50.760
bonds (distance) P-C4' energy: -48.937
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -36.803
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 0.000 (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: 322
Temperature: 0.900000
Total energy: -1084.415926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.415926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.415926 (E_RNA)
where:
Base-Base interactions energy: -746.854
where: short stacking energy: -330.124
Base-Backbone interact. energy: -0.810
local terms energy: -336.752155
where:
bonds (distance) C4'-P energy: -63.204
bonds (distance) P-C4' energy: -57.316
flat angles C4'-P-C4' energy: -72.284
flat angles P-C4'-P energy: -47.720
tors. eta vs tors. theta energy: -96.228
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: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1047.646265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.646265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.646265 (E_RNA)
where:
Base-Base interactions energy: -733.500
where: short stacking energy: -331.672
Base-Backbone interact. energy: 0.444
local terms energy: -314.590309
where:
bonds (distance) C4'-P energy: -55.370
bonds (distance) P-C4' energy: -60.080
flat angles C4'-P-C4' energy: -58.756
flat angles P-C4'-P energy: -51.051
tors. eta vs tors. theta energy: -89.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1027.948329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.948329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.948329 (E_RNA)
where:
Base-Base interactions energy: -692.404
where: short stacking energy: -300.397
Base-Backbone interact. energy: -0.220
local terms energy: -335.323756
where:
bonds (distance) C4'-P energy: -60.554
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -68.943
flat angles P-C4'-P energy: -51.996
tors. eta vs tors. theta energy: -94.847
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: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -903.108668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.108668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.108668 (E_RNA)
where:
Base-Base interactions energy: -615.535
where: short stacking energy: -265.187
Base-Backbone interact. energy: 2.569
local terms energy: -290.142860
where:
bonds (distance) C4'-P energy: -49.658
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -61.200
flat angles P-C4'-P energy: -47.104
tors. eta vs tors. theta energy: -78.165
Dist. restrs. and SS energy: 0.000 (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: 322
Temperature: 1.100000
Total energy: -886.800755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.800755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.800755 (E_RNA)
where:
Base-Base interactions energy: -594.006
where: short stacking energy: -269.098
Base-Backbone interact. energy: -1.264
local terms energy: -291.531301
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -68.964
flat angles C4'-P-C4' energy: -64.323
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -78.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -839.580548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.580548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.580548 (E_RNA)
where:
Base-Base interactions energy: -587.306
where: short stacking energy: -245.279
Base-Backbone interact. energy: 0.411
local terms energy: -252.685122
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -33.181
tors. eta vs tors. theta energy: -64.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -764.973040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.973040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.973040 (E_RNA)
where:
Base-Base interactions energy: -518.181
where: short stacking energy: -229.418
Base-Backbone interact. energy: -1.527
local terms energy: -245.264821
where:
bonds (distance) C4'-P energy: -49.492
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -49.185
flat angles P-C4'-P energy: -44.494
tors. eta vs tors. theta energy: -52.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -698.830824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.830824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.830824 (E_RNA)
where:
Base-Base interactions energy: -442.526
where: short stacking energy: -209.340
Base-Backbone interact. energy: 0.141
local terms energy: -256.445925
where:
bonds (distance) C4'-P energy: -51.965
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -51.534
flat angles P-C4'-P energy: -43.983
tors. eta vs tors. theta energy: -61.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -579.657423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.657423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.657423 (E_RNA)
where:
Base-Base interactions energy: -366.808
where: short stacking energy: -198.723
Base-Backbone interact. energy: -0.760
local terms energy: -212.088800
where:
bonds (distance) C4'-P energy: -46.978
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -53.376
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -34.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -507.327570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.327570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.327570 (E_RNA)
where:
Base-Base interactions energy: -297.697
where: short stacking energy: -146.155
Base-Backbone interact. energy: -2.840
local terms energy: -206.790682
where:
bonds (distance) C4'-P energy: -52.471
bonds (distance) P-C4' energy: -54.355
flat angles C4'-P-C4' energy: -54.669
flat angles P-C4'-P energy: -30.015
tors. eta vs tors. theta energy: -15.280
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: 1, replica: 10
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1069.606026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.606026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.606026 (E_RNA)
where:
Base-Base interactions energy: -723.862
where: short stacking energy: -329.087
Base-Backbone interact. energy: -0.263
local terms energy: -345.480706
where:
bonds (distance) C4'-P energy: -75.276
bonds (distance) P-C4' energy: -62.078
flat angles C4'-P-C4' energy: -67.068
flat angles P-C4'-P energy: -41.312
tors. eta vs tors. theta energy: -99.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1074.326827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.326827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.326827 (E_RNA)
where:
Base-Base interactions energy: -742.105
where: short stacking energy: -332.773
Base-Backbone interact. energy: -0.934
local terms energy: -331.288136
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -55.214
flat angles C4'-P-C4' energy: -69.229
flat angles P-C4'-P energy: -51.566
tors. eta vs tors. theta energy: -95.060
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: 1
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1025.692682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.692682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.692682 (E_RNA)
where:
Base-Base interactions energy: -713.751
where: short stacking energy: -316.380
Base-Backbone interact. energy: -0.144
local terms energy: -311.797318
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -65.082
flat angles P-C4'-P energy: -52.765
tors. eta vs tors. theta energy: -92.271
Dist. restrs. and SS energy: 0.000 (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: 323
Temperature: 1.050000
Total energy: -919.039925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.039925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.039925 (E_RNA)
where:
Base-Base interactions energy: -611.751
where: short stacking energy: -277.495
Base-Backbone interact. energy: 0.738
local terms energy: -308.027059
where:
bonds (distance) C4'-P energy: -51.649
bonds (distance) P-C4' energy: -59.263
flat angles C4'-P-C4' energy: -69.491
flat angles P-C4'-P energy: -44.212
tors. eta vs tors. theta energy: -83.413
Dist. restrs. and SS energy: 0.000 (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: 323
Temperature: 1.100000
Total energy: -877.104722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.104722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.104722 (E_RNA)
where:
Base-Base interactions energy: -585.073
where: short stacking energy: -255.888
Base-Backbone interact. energy: -0.835
local terms energy: -291.196182
where:
bonds (distance) C4'-P energy: -60.611
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -65.445
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -59.722
Dist. restrs. and SS energy: 0.000 (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: 323
Temperature: 1.150000
Total energy: -870.891076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.891076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.891076 (E_RNA)
where:
Base-Base interactions energy: -588.825
where: short stacking energy: -241.964
Base-Backbone interact. energy: -0.351
local terms energy: -281.715118
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -59.776
flat angles C4'-P-C4' energy: -63.736
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -64.248
Dist. restrs. and SS energy: 0.000 (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: 323
Temperature: 1.200000
Total energy: -768.819014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.819014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.819014 (E_RNA)
where:
Base-Base interactions energy: -517.512
where: short stacking energy: -238.367
Base-Backbone interact. energy: -0.259
local terms energy: -251.048642
where:
bonds (distance) C4'-P energy: -46.280
bonds (distance) P-C4' energy: -52.722
flat angles C4'-P-C4' energy: -47.926
flat angles P-C4'-P energy: -45.192
tors. eta vs tors. theta energy: -58.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -714.760319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.760319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.760319 (E_RNA)
where:
Base-Base interactions energy: -460.612
where: short stacking energy: -218.993
Base-Backbone interact. energy: -0.582
local terms energy: -253.565532
where:
bonds (distance) C4'-P energy: -55.549
bonds (distance) P-C4' energy: -47.359
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -65.451
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: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -566.246048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.246048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.246048 (E_RNA)
where:
Base-Base interactions energy: -358.549
where: short stacking energy: -162.157
Base-Backbone interact. energy: -4.933
local terms energy: -202.763736
where:
bonds (distance) C4'-P energy: -55.900
bonds (distance) P-C4' energy: -41.831
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: -30.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -510.404782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.404782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.404782 (E_RNA)
where:
Base-Base interactions energy: -297.657
where: short stacking energy: -140.978
Base-Backbone interact. energy: -0.678
local terms energy: -212.069789
where:
bonds (distance) C4'-P energy: -55.147
bonds (distance) P-C4' energy: -45.752
flat angles C4'-P-C4' energy: -51.750
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -29.816
Dist. restrs. and SS energy: 0.000 (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: 324
Temperature: 0.900000
Total energy: -1068.387828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.387828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.387828 (E_RNA)
where:
Base-Base interactions energy: -733.782
where: short stacking energy: -329.272
Base-Backbone interact. energy: -0.706
local terms energy: -333.899599
where:
bonds (distance) C4'-P energy: -61.914
bonds (distance) P-C4' energy: -66.008
flat angles C4'-P-C4' energy: -63.148
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: -98.769
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: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1057.745123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.745123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.745123 (E_RNA)
where:
Base-Base interactions energy: -736.166
where: short stacking energy: -311.848
Base-Backbone interact. energy: -1.750
local terms energy: -319.828397
where:
bonds (distance) C4'-P energy: -58.367
bonds (distance) P-C4' energy: -54.832
flat angles C4'-P-C4' energy: -58.660
flat angles P-C4'-P energy: -55.695
tors. eta vs tors. theta energy: -92.276
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: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1032.342379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.342379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.342379 (E_RNA)
where:
Base-Base interactions energy: -710.690
where: short stacking energy: -315.454
Base-Backbone interact. energy: -0.824
local terms energy: -320.829181
where:
bonds (distance) C4'-P energy: -60.978
bonds (distance) P-C4' energy: -55.327
flat angles C4'-P-C4' energy: -62.081
flat angles P-C4'-P energy: -49.554
tors. eta vs tors. theta energy: -92.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -937.108684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.108684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.108684 (E_RNA)
where:
Base-Base interactions energy: -639.094
where: short stacking energy: -281.270
Base-Backbone interact. energy: -0.955
local terms energy: -297.059062
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -62.477
flat angles C4'-P-C4' energy: -62.962
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -84.022
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: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -866.450027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.450027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.450027 (E_RNA)
where:
Base-Base interactions energy: -585.552
where: short stacking energy: -261.726
Base-Backbone interact. energy: -0.487
local terms energy: -280.411452
where:
bonds (distance) C4'-P energy: -52.860
bonds (distance) P-C4' energy: -54.742
flat angles C4'-P-C4' energy: -56.303
flat angles P-C4'-P energy: -47.040
tors. eta vs tors. theta energy: -69.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -859.890661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.890661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.890661 (E_RNA)
where:
Base-Base interactions energy: -579.310
where: short stacking energy: -246.442
Base-Backbone interact. energy: -2.027
local terms energy: -278.554470
where:
bonds (distance) C4'-P energy: -49.481
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -68.990
flat angles P-C4'-P energy: -40.533
tors. eta vs tors. theta energy: -71.633
Dist. restrs. and SS energy: 0.000 (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: 324
Temperature: 1.200000
Total energy: -775.734676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.734676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.734676 (E_RNA)
where:
Base-Base interactions energy: -524.968
where: short stacking energy: -220.740
Base-Backbone interact. energy: -0.766
local terms energy: -250.000074
where:
bonds (distance) C4'-P energy: -44.173
bonds (distance) P-C4' energy: -54.726
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -37.113
tors. eta vs tors. theta energy: -59.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -708.185638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.185638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.185638 (E_RNA)
where:
Base-Base interactions energy: -459.382
where: short stacking energy: -208.580
Base-Backbone interact. energy: -1.037
local terms energy: -247.766695
where:
bonds (distance) C4'-P energy: -52.387
bonds (distance) P-C4' energy: -45.030
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -29.377
tors. eta vs tors. theta energy: -62.409
Dist. restrs. and SS energy: 0.000 (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: 324
Temperature: 1.300000
Total energy: -492.170230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.170230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.170230 (E_RNA)
where:
Base-Base interactions energy: -283.514
where: short stacking energy: -147.358
Base-Backbone interact. energy: -0.814
local terms energy: -207.842066
where:
bonds (distance) C4'-P energy: -53.938
bonds (distance) P-C4' energy: -57.732
flat angles C4'-P-C4' energy: -41.050
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -21.294
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: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -521.723899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.723899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.723899 (E_RNA)
where:
Base-Base interactions energy: -331.053
where: short stacking energy: -144.423
Base-Backbone interact. energy: -0.031
local terms energy: -190.639923
where:
bonds (distance) C4'-P energy: -43.491
bonds (distance) P-C4' energy: -47.081
flat angles C4'-P-C4' energy: -48.959
flat angles P-C4'-P energy: -31.356
tors. eta vs tors. theta energy: -19.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1070.825961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.825961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.825961 (E_RNA)
where:
Base-Base interactions energy: -736.027
where: short stacking energy: -337.118
Base-Backbone interact. energy: -0.256
local terms energy: -334.542874
where:
bonds (distance) C4'-P energy: -54.323
bonds (distance) P-C4' energy: -57.658
flat angles C4'-P-C4' energy: -72.394
flat angles P-C4'-P energy: -48.023
tors. eta vs tors. theta energy: -102.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1045.230940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.230940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.230940 (E_RNA)
where:
Base-Base interactions energy: -723.055
where: short stacking energy: -308.505
Base-Backbone interact. energy: 0.030
local terms energy: -322.206090
where:
bonds (distance) C4'-P energy: -60.595
bonds (distance) P-C4' energy: -65.134
flat angles C4'-P-C4' energy: -65.901
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -90.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1017.798973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.798973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.798973 (E_RNA)
where:
Base-Base interactions energy: -712.175
where: short stacking energy: -314.005
Base-Backbone interact. energy: -0.381
local terms energy: -305.243083
where:
bonds (distance) C4'-P energy: -44.688
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -66.073
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -95.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -914.972376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.972376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.972376 (E_RNA)
where:
Base-Base interactions energy: -629.536
where: short stacking energy: -274.667
Base-Backbone interact. energy: -0.711
local terms energy: -284.724946
where:
bonds (distance) C4'-P energy: -51.459
bonds (distance) P-C4' energy: -51.008
flat angles C4'-P-C4' energy: -56.680
flat angles P-C4'-P energy: -48.217
tors. eta vs tors. theta energy: -77.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -877.493137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.493137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.493137 (E_RNA)
where:
Base-Base interactions energy: -600.620
where: short stacking energy: -266.623
Base-Backbone interact. energy: -0.042
local terms energy: -276.830497
where:
bonds (distance) C4'-P energy: -53.275
bonds (distance) P-C4' energy: -53.375
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -39.003
tors. eta vs tors. theta energy: -74.642
Dist. restrs. and SS energy: 0.000 (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: 325
Temperature: 1.150000
Total energy: -807.382815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.382815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.382815 (E_RNA)
where:
Base-Base interactions energy: -560.697
where: short stacking energy: -235.985
Base-Backbone interact. energy: -2.022
local terms energy: -244.664134
where:
bonds (distance) C4'-P energy: -39.825
bonds (distance) P-C4' energy: -57.495
flat angles C4'-P-C4' energy: -58.118
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: -55.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -850.015763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.015763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.015763 (E_RNA)
where:
Base-Base interactions energy: -586.680
where: short stacking energy: -238.072
Base-Backbone interact. energy: -3.788
local terms energy: -259.547299
where:
bonds (distance) C4'-P energy: -47.875
bonds (distance) P-C4' energy: -48.109
flat angles C4'-P-C4' energy: -57.125
flat angles P-C4'-P energy: -45.139
tors. eta vs tors. theta energy: -61.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -685.684339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.684339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.684339 (E_RNA)
where:
Base-Base interactions energy: -448.533
where: short stacking energy: -198.471
Base-Backbone interact. energy: -0.180
local terms energy: -236.971854
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -48.931
flat angles C4'-P-C4' energy: -52.329
flat angles P-C4'-P energy: -34.160
tors. eta vs tors. theta energy: -53.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -504.285777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.285777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.285777 (E_RNA)
where:
Base-Base interactions energy: -311.855
where: short stacking energy: -134.608
Base-Backbone interact. energy: -0.150
local terms energy: -192.281454
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -54.423
flat angles C4'-P-C4' energy: -47.084
flat angles P-C4'-P energy: -17.222
tors. eta vs tors. theta energy: -20.800
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: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -482.860942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.860942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.860942 (E_RNA)
where:
Base-Base interactions energy: -290.720
where: short stacking energy: -129.792
Base-Backbone interact. energy: 0.040
local terms energy: -192.181138
where:
bonds (distance) C4'-P energy: -54.469
bonds (distance) P-C4' energy: -60.218
flat angles C4'-P-C4' energy: -39.288
flat angles P-C4'-P energy: -26.416
tors. eta vs tors. theta energy: -11.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1072.278023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.278023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.278023 (E_RNA)
where:
Base-Base interactions energy: -740.984
where: short stacking energy: -342.527
Base-Backbone interact. energy: -0.511
local terms energy: -330.782585
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -58.322
flat angles C4'-P-C4' energy: -69.576
flat angles P-C4'-P energy: -43.692
tors. eta vs tors. theta energy: -95.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1059.580034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.580034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.580034 (E_RNA)
where:
Base-Base interactions energy: -734.419
where: short stacking energy: -311.276
Base-Backbone interact. energy: -1.186
local terms energy: -323.975245
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -62.662
flat angles C4'-P-C4' energy: -71.975
flat angles P-C4'-P energy: -51.561
tors. eta vs tors. theta energy: -86.919
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: 3, replica: 1
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1017.339773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.339773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.339773 (E_RNA)
where:
Base-Base interactions energy: -718.286
where: short stacking energy: -313.621
Base-Backbone interact. energy: -0.275
local terms energy: -298.778233
where:
bonds (distance) C4'-P energy: -49.663
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -63.587
flat angles P-C4'-P energy: -45.899
tors. eta vs tors. theta energy: -88.242
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: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -918.016347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.016347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.016347 (E_RNA)
where:
Base-Base interactions energy: -631.109
where: short stacking energy: -271.571
Base-Backbone interact. energy: -1.710
local terms energy: -285.197804
where:
bonds (distance) C4'-P energy: -56.461
bonds (distance) P-C4' energy: -60.611
flat angles C4'-P-C4' energy: -59.923
flat angles P-C4'-P energy: -34.374
tors. eta vs tors. theta energy: -73.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -864.965798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.965798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.965798 (E_RNA)
where:
Base-Base interactions energy: -570.185
where: short stacking energy: -266.058
Base-Backbone interact. energy: -0.672
local terms energy: -294.108210
where:
bonds (distance) C4'-P energy: -54.628
bonds (distance) P-C4' energy: -55.536
flat angles C4'-P-C4' energy: -70.260
flat angles P-C4'-P energy: -37.312
tors. eta vs tors. theta energy: -76.371
Dist. restrs. and SS energy: 0.000 (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: 326
Temperature: 1.150000
Total energy: -878.389764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.389764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.389764 (E_RNA)
where:
Base-Base interactions energy: -612.015
where: short stacking energy: -259.406
Base-Backbone interact. energy: -0.134
local terms energy: -266.241252
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -42.762
flat angles C4'-P-C4' energy: -61.613
flat angles P-C4'-P energy: -36.690
tors. eta vs tors. theta energy: -67.607
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: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -839.286594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.286594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.286594 (E_RNA)
where:
Base-Base interactions energy: -569.104
where: short stacking energy: -228.809
Base-Backbone interact. energy: -1.685
local terms energy: -268.497810
where:
bonds (distance) C4'-P energy: -58.600
bonds (distance) P-C4' energy: -51.222
flat angles C4'-P-C4' energy: -58.749
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -59.011
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: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -705.249278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.249278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.249278 (E_RNA)
where:
Base-Base interactions energy: -474.422
where: short stacking energy: -206.514
Base-Backbone interact. energy: 0.340
local terms energy: -231.167870
where:
bonds (distance) C4'-P energy: -46.187
bonds (distance) P-C4' energy: -55.027
flat angles C4'-P-C4' energy: -47.052
flat angles P-C4'-P energy: -28.165
tors. eta vs tors. theta energy: -54.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -546.170410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.170410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.170410 (E_RNA)
where:
Base-Base interactions energy: -317.421
where: short stacking energy: -129.583
Base-Backbone interact. energy: 0.824
local terms energy: -229.573580
where:
bonds (distance) C4'-P energy: -59.274
bonds (distance) P-C4' energy: -63.007
flat angles C4'-P-C4' energy: -57.979
flat angles P-C4'-P energy: -31.622
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (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: 326
Temperature: 1.350000
Total energy: -455.408719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.408719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.408719 (E_RNA)
where:
Base-Base interactions energy: -266.236
where: short stacking energy: -125.499
Base-Backbone interact. energy: -1.736
local terms energy: -187.436288
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -40.321
flat angles P-C4'-P energy: -28.388
tors. eta vs tors. theta energy: -18.996
Dist. restrs. and SS energy: 0.000 (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: 327
Temperature: 0.900000
Total energy: -1065.717188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.717188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.717188 (E_RNA)
where:
Base-Base interactions energy: -733.318
where: short stacking energy: -332.977
Base-Backbone interact. energy: 1.734
local terms energy: -334.132342
where:
bonds (distance) C4'-P energy: -58.520
bonds (distance) P-C4' energy: -68.613
flat angles C4'-P-C4' energy: -69.103
flat angles P-C4'-P energy: -42.661
tors. eta vs tors. theta energy: -95.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1063.497670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.497670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.497670 (E_RNA)
where:
Base-Base interactions energy: -747.730
where: short stacking energy: -315.464
Base-Backbone interact. energy: -0.427
local terms energy: -315.341025
where:
bonds (distance) C4'-P energy: -51.518
bonds (distance) P-C4' energy: -45.164
flat angles C4'-P-C4' energy: -72.475
flat angles P-C4'-P energy: -53.022
tors. eta vs tors. theta energy: -93.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1005.103293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.103293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.103293 (E_RNA)
where:
Base-Base interactions energy: -703.168
where: short stacking energy: -299.624
Base-Backbone interact. energy: -2.972
local terms energy: -298.963142
where:
bonds (distance) C4'-P energy: -53.850
bonds (distance) P-C4' energy: -54.606
flat angles C4'-P-C4' energy: -63.666
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: -87.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -952.055561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.055561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.055561 (E_RNA)
where:
Base-Base interactions energy: -649.010
where: short stacking energy: -284.572
Base-Backbone interact. energy: 0.347
local terms energy: -303.392939
where:
bonds (distance) C4'-P energy: -53.460
bonds (distance) P-C4' energy: -58.927
flat angles C4'-P-C4' energy: -63.390
flat angles P-C4'-P energy: -44.094
tors. eta vs tors. theta energy: -83.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -845.142364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.142364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.142364 (E_RNA)
where:
Base-Base interactions energy: -583.508
where: short stacking energy: -266.253
Base-Backbone interact. energy: 0.020
local terms energy: -261.654196
where:
bonds (distance) C4'-P energy: -45.911
bonds (distance) P-C4' energy: -43.025
flat angles C4'-P-C4' energy: -67.757
flat angles P-C4'-P energy: -34.286
tors. eta vs tors. theta energy: -70.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -848.959774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.959774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.959774 (E_RNA)
where:
Base-Base interactions energy: -586.037
where: short stacking energy: -261.877
Base-Backbone interact. energy: -1.528
local terms energy: -261.394735
where:
bonds (distance) C4'-P energy: -49.488
bonds (distance) P-C4' energy: -42.608
flat angles C4'-P-C4' energy: -65.108
flat angles P-C4'-P energy: -38.189
tors. eta vs tors. theta energy: -66.001
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: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -831.573156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.573156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.573156 (E_RNA)
where:
Base-Base interactions energy: -586.886
where: short stacking energy: -239.197
Base-Backbone interact. energy: 1.008
local terms energy: -245.694656
where:
bonds (distance) C4'-P energy: -50.146
bonds (distance) P-C4' energy: -49.706
flat angles C4'-P-C4' energy: -54.510
flat angles P-C4'-P energy: -30.932
tors. eta vs tors. theta energy: -60.400
Dist. restrs. and SS energy: 0.000 (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: 327
Temperature: 1.250000
Total energy: -738.710781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.710781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.710781 (E_RNA)
where:
Base-Base interactions energy: -490.353
where: short stacking energy: -212.489
Base-Backbone interact. energy: -0.127
local terms energy: -248.230119
where:
bonds (distance) C4'-P energy: -51.638
bonds (distance) P-C4' energy: -42.538
flat angles C4'-P-C4' energy: -61.620
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -63.922
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: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -575.786209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.786209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.786209 (E_RNA)
where:
Base-Base interactions energy: -367.586
where: short stacking energy: -174.017
Base-Backbone interact. energy: 2.466
local terms energy: -210.666207
where:
bonds (distance) C4'-P energy: -48.918
bonds (distance) P-C4' energy: -56.398
flat angles C4'-P-C4' energy: -51.643
flat angles P-C4'-P energy: -30.029
tors. eta vs tors. theta energy: -23.677
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: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -476.156416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.156416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.156416 (E_RNA)
where:
Base-Base interactions energy: -268.433
where: short stacking energy: -120.765
Base-Backbone interact. energy: -1.438
local terms energy: -206.285241
where:
bonds (distance) C4'-P energy: -57.141
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1073.355007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.355007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.355007 (E_RNA)
where:
Base-Base interactions energy: -724.644
where: short stacking energy: -341.958
Base-Backbone interact. energy: -0.269
local terms energy: -348.442347
where:
bonds (distance) C4'-P energy: -62.314
bonds (distance) P-C4' energy: -61.742
flat angles C4'-P-C4' energy: -75.006
flat angles P-C4'-P energy: -47.797
tors. eta vs tors. theta energy: -101.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1045.274829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.274829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.274829 (E_RNA)
where:
Base-Base interactions energy: -707.554
where: short stacking energy: -303.865
Base-Backbone interact. energy: -1.644
local terms energy: -336.077159
where:
bonds (distance) C4'-P energy: -61.371
bonds (distance) P-C4' energy: -68.002
flat angles C4'-P-C4' energy: -68.411
flat angles P-C4'-P energy: -45.984
tors. eta vs tors. theta energy: -92.310
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: 3, replica: 1
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1033.924245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.924245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.924245 (E_RNA)
where:
Base-Base interactions energy: -721.121
where: short stacking energy: -317.078
Base-Backbone interact. energy: 0.534
local terms energy: -313.337309
where:
bonds (distance) C4'-P energy: -56.795
bonds (distance) P-C4' energy: -56.284
flat angles C4'-P-C4' energy: -67.274
flat angles P-C4'-P energy: -44.630
tors. eta vs tors. theta energy: -88.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -950.518055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.518055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.518055 (E_RNA)
where:
Base-Base interactions energy: -665.799
where: short stacking energy: -285.887
Base-Backbone interact. energy: -0.208
local terms energy: -284.511135
where:
bonds (distance) C4'-P energy: -54.115
bonds (distance) P-C4' energy: -58.840
flat angles C4'-P-C4' energy: -58.866
flat angles P-C4'-P energy: -33.763
tors. eta vs tors. theta energy: -78.926
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: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -882.807299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.807299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.807299 (E_RNA)
where:
Base-Base interactions energy: -608.984
where: short stacking energy: -252.313
Base-Backbone interact. energy: -1.892
local terms energy: -271.931181
where:
bonds (distance) C4'-P energy: -46.981
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -52.208
flat angles P-C4'-P energy: -47.729
tors. eta vs tors. theta energy: -72.423
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: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -823.377694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.377694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.377694 (E_RNA)
where:
Base-Base interactions energy: -564.671
where: short stacking energy: -251.544
Base-Backbone interact. energy: -0.620
local terms energy: -258.086737
where:
bonds (distance) C4'-P energy: -46.308
bonds (distance) P-C4' energy: -45.535
flat angles C4'-P-C4' energy: -69.771
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -61.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -852.682305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.682305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.682305 (E_RNA)
where:
Base-Base interactions energy: -588.973
where: short stacking energy: -260.658
Base-Backbone interact. energy: 0.712
local terms energy: -264.421474
where:
bonds (distance) C4'-P energy: -56.404
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -55.822
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -66.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -710.214820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.214820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.214820 (E_RNA)
where:
Base-Base interactions energy: -476.306
where: short stacking energy: -212.542
Base-Backbone interact. energy: -0.947
local terms energy: -232.961675
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -50.592
flat angles C4'-P-C4' energy: -60.001
flat angles P-C4'-P energy: -31.978
tors. eta vs tors. theta energy: -39.327
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: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -580.970724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.970724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.970724 (E_RNA)
where:
Base-Base interactions energy: -368.869
where: short stacking energy: -180.635
Base-Backbone interact. energy: 0.926
local terms energy: -213.027731
where:
bonds (distance) C4'-P energy: -48.081
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -42.494
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -36.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -454.837410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.837410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.837410 (E_RNA)
where:
Base-Base interactions energy: -250.717
where: short stacking energy: -122.276
Base-Backbone interact. energy: -2.515
local terms energy: -201.605971
where:
bonds (distance) C4'-P energy: -43.216
bonds (distance) P-C4' energy: -61.513
flat angles C4'-P-C4' energy: -46.985
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (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: 329
Temperature: 0.900000
Total energy: -1085.671838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.671838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.671838 (E_RNA)
where:
Base-Base interactions energy: -744.873
where: short stacking energy: -330.939
Base-Backbone interact. energy: -0.310
local terms energy: -340.488242
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -68.586
flat angles C4'-P-C4' energy: -70.214
flat angles P-C4'-P energy: -40.120
tors. eta vs tors. theta energy: -101.810
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: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1064.293844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.293844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.293844 (E_RNA)
where:
Base-Base interactions energy: -735.389
where: short stacking energy: -323.717
Base-Backbone interact. energy: -1.326
local terms energy: -327.578753
where:
bonds (distance) C4'-P energy: -56.908
bonds (distance) P-C4' energy: -59.474
flat angles C4'-P-C4' energy: -67.913
flat angles P-C4'-P energy: -45.225
tors. eta vs tors. theta energy: -98.060
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: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1039.208441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.208441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.208441 (E_RNA)
where:
Base-Base interactions energy: -711.510
where: short stacking energy: -326.730
Base-Backbone interact. energy: -0.670
local terms energy: -327.029237
where:
bonds (distance) C4'-P energy: -55.835
bonds (distance) P-C4' energy: -59.491
flat angles C4'-P-C4' energy: -68.807
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -99.689
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: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -899.310683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.310683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.310683 (E_RNA)
where:
Base-Base interactions energy: -609.717
where: short stacking energy: -255.567
Base-Backbone interact. energy: -2.148
local terms energy: -287.446347
where:
bonds (distance) C4'-P energy: -56.969
bonds (distance) P-C4' energy: -58.187
flat angles C4'-P-C4' energy: -62.973
flat angles P-C4'-P energy: -39.130
tors. eta vs tors. theta energy: -70.187
Dist. restrs. and SS energy: 0.000 (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: 329
Temperature: 1.100000
Total energy: -889.050281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.050281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.050281 (E_RNA)
where:
Base-Base interactions energy: -614.065
where: short stacking energy: -274.474
Base-Backbone interact. energy: -1.086
local terms energy: -273.899091
where:
bonds (distance) C4'-P energy: -45.615
bonds (distance) P-C4' energy: -50.394
flat angles C4'-P-C4' energy: -56.843
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -74.298
Dist. restrs. and SS energy: 0.000 (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: 329
Temperature: 1.150000
Total energy: -864.694986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.694986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.694986 (E_RNA)
where:
Base-Base interactions energy: -592.869
where: short stacking energy: -240.320
Base-Backbone interact. energy: -1.587
local terms energy: -270.239642
where:
bonds (distance) C4'-P energy: -52.864
bonds (distance) P-C4' energy: -58.179
flat angles C4'-P-C4' energy: -60.395
flat angles P-C4'-P energy: -35.981
tors. eta vs tors. theta energy: -62.822
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: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -760.092749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.092749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.092749 (E_RNA)
where:
Base-Base interactions energy: -514.428
where: short stacking energy: -239.283
Base-Backbone interact. energy: -0.242
local terms energy: -245.422030
where:
bonds (distance) C4'-P energy: -45.707
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -44.944
flat angles P-C4'-P energy: -46.640
tors. eta vs tors. theta energy: -56.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -684.317760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.317760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.317760 (E_RNA)
where:
Base-Base interactions energy: -461.065
where: short stacking energy: -204.710
Base-Backbone interact. energy: 1.659
local terms energy: -224.911224
where:
bonds (distance) C4'-P energy: -34.460
bonds (distance) P-C4' energy: -53.828
flat angles C4'-P-C4' energy: -58.470
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: -47.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -559.419860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.419860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.419860 (E_RNA)
where:
Base-Base interactions energy: -352.762
where: short stacking energy: -174.494
Base-Backbone interact. energy: 2.085
local terms energy: -208.743436
where:
bonds (distance) C4'-P energy: -40.684
bonds (distance) P-C4' energy: -56.575
flat angles C4'-P-C4' energy: -53.338
flat angles P-C4'-P energy: -28.968
tors. eta vs tors. theta energy: -29.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -427.844356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.844356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.844356 (E_RNA)
where:
Base-Base interactions energy: -239.596
where: short stacking energy: -113.741
Base-Backbone interact. energy: 0.532
local terms energy: -188.780195
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -45.316
flat angles C4'-P-C4' energy: -56.576
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: 2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1075.858100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.858100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.858100 (E_RNA)
where:
Base-Base interactions energy: -744.456
where: short stacking energy: -329.809
Base-Backbone interact. energy: -0.535
local terms energy: -330.866828
where:
bonds (distance) C4'-P energy: -63.708
bonds (distance) P-C4' energy: -52.521
flat angles C4'-P-C4' energy: -68.902
flat angles P-C4'-P energy: -46.404
tors. eta vs tors. theta energy: -99.332
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: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1071.649581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.649581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.649581 (E_RNA)
where:
Base-Base interactions energy: -747.120
where: short stacking energy: -318.414
Base-Backbone interact. energy: -0.865
local terms energy: -323.664166
where:
bonds (distance) C4'-P energy: -55.430
bonds (distance) P-C4' energy: -62.795
flat angles C4'-P-C4' energy: -62.537
flat angles P-C4'-P energy: -48.203
tors. eta vs tors. theta energy: -94.699
Dist. restrs. and SS energy: 0.000 (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: 330
Temperature: 1.000000
Total energy: -1043.945857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.945857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.945857 (E_RNA)
where:
Base-Base interactions energy: -726.193
where: short stacking energy: -320.189
Base-Backbone interact. energy: -0.327
local terms energy: -317.425230
where:
bonds (distance) C4'-P energy: -61.217
bonds (distance) P-C4' energy: -56.901
flat angles C4'-P-C4' energy: -69.310
flat angles P-C4'-P energy: -37.967
tors. eta vs tors. theta energy: -92.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -910.691779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.691779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.691779 (E_RNA)
where:
Base-Base interactions energy: -609.447
where: short stacking energy: -263.598
Base-Backbone interact. energy: -2.631
local terms energy: -298.613428
where:
bonds (distance) C4'-P energy: -59.623
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -41.404
tors. eta vs tors. theta energy: -73.867
Dist. restrs. and SS energy: 0.000 (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: 330
Temperature: 1.100000
Total energy: -903.403796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.403796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.403796 (E_RNA)
where:
Base-Base interactions energy: -628.149
where: short stacking energy: -277.849
Base-Backbone interact. energy: -0.243
local terms energy: -275.011560
where:
bonds (distance) C4'-P energy: -40.579
bonds (distance) P-C4' energy: -58.522
flat angles C4'-P-C4' energy: -65.736
flat angles P-C4'-P energy: -42.202
tors. eta vs tors. theta energy: -67.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -850.610996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.610996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.610996 (E_RNA)
where:
Base-Base interactions energy: -577.948
where: short stacking energy: -258.122
Base-Backbone interact. energy: -2.000
local terms energy: -270.662723
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -38.127
flat angles C4'-P-C4' energy: -64.357
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -77.772
Dist. restrs. and SS energy: 0.000 (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: 330
Temperature: 1.200000
Total energy: -747.629391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.629391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.629391 (E_RNA)
where:
Base-Base interactions energy: -498.782
where: short stacking energy: -229.873
Base-Backbone interact. energy: -0.300
local terms energy: -248.547110
where:
bonds (distance) C4'-P energy: -46.219
bonds (distance) P-C4' energy: -42.106
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -40.980
tors. eta vs tors. theta energy: -56.372
Dist. restrs. and SS energy: 0.000 (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: 330
Temperature: 1.250000
Total energy: -712.688629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.688629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.688629 (E_RNA)
where:
Base-Base interactions energy: -467.396
where: short stacking energy: -213.583
Base-Backbone interact. energy: -0.699
local terms energy: -244.593460
where:
bonds (distance) C4'-P energy: -55.752
bonds (distance) P-C4' energy: -42.656
flat angles C4'-P-C4' energy: -52.020
flat angles P-C4'-P energy: -39.145
tors. eta vs tors. theta energy: -55.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -519.720789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.720789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.720789 (E_RNA)
where:
Base-Base interactions energy: -332.273
where: short stacking energy: -146.124
Base-Backbone interact. energy: -1.400
local terms energy: -186.047711
where:
bonds (distance) C4'-P energy: -40.781
bonds (distance) P-C4' energy: -54.694
flat angles C4'-P-C4' energy: -48.075
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (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: 330
Temperature: 1.350000
Total energy: -449.766554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.766554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.766554 (E_RNA)
where:
Base-Base interactions energy: -268.397
where: short stacking energy: -137.631
Base-Backbone interact. energy: 2.473
local terms energy: -183.841828
where:
bonds (distance) C4'-P energy: -49.155
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -45.002
flat angles P-C4'-P energy: -27.133
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (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: 331
Temperature: 0.900000
Total energy: -1081.829267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.829267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.829267 (E_RNA)
where:
Base-Base interactions energy: -745.824
where: short stacking energy: -344.422
Base-Backbone interact. energy: 0.128
local terms energy: -336.133187
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -60.478
flat angles C4'-P-C4' energy: -67.551
flat angles P-C4'-P energy: -55.055
tors. eta vs tors. theta energy: -101.892
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: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1068.508768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.508768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.508768 (E_RNA)
where:
Base-Base interactions energy: -730.207
where: short stacking energy: -320.215
Base-Backbone interact. energy: -1.948
local terms energy: -336.353510
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -61.674
flat angles C4'-P-C4' energy: -70.626
flat angles P-C4'-P energy: -50.079
tors. eta vs tors. theta energy: -99.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1018.602923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.602923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.602923 (E_RNA)
where:
Base-Base interactions energy: -732.880
where: short stacking energy: -336.055
Base-Backbone interact. energy: -0.146
local terms energy: -285.577224
where:
bonds (distance) C4'-P energy: -51.829
bonds (distance) P-C4' energy: -54.414
flat angles C4'-P-C4' energy: -60.984
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -91.181
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: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -923.218672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.218672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.218672 (E_RNA)
where:
Base-Base interactions energy: -624.904
where: short stacking energy: -269.847
Base-Backbone interact. energy: -0.516
local terms energy: -297.798793
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -60.528
flat angles C4'-P-C4' energy: -62.718
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -77.798
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: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -885.438750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.438750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.438750 (E_RNA)
where:
Base-Base interactions energy: -600.946
where: short stacking energy: -268.729
Base-Backbone interact. energy: 0.289
local terms energy: -284.781814
where:
bonds (distance) C4'-P energy: -55.626
bonds (distance) P-C4' energy: -60.700
flat angles C4'-P-C4' energy: -60.150
flat angles P-C4'-P energy: -35.405
tors. eta vs tors. theta energy: -72.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -855.094552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.094552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.094552 (E_RNA)
where:
Base-Base interactions energy: -593.657
where: short stacking energy: -268.385
Base-Backbone interact. energy: -2.569
local terms energy: -258.868219
where:
bonds (distance) C4'-P energy: -36.144
bonds (distance) P-C4' energy: -47.447
flat angles C4'-P-C4' energy: -65.295
flat angles P-C4'-P energy: -35.615
tors. eta vs tors. theta energy: -74.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -755.430522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.430522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.430522 (E_RNA)
where:
Base-Base interactions energy: -512.104
where: short stacking energy: -221.141
Base-Backbone interact. energy: -1.498
local terms energy: -241.828190
where:
bonds (distance) C4'-P energy: -48.758
bonds (distance) P-C4' energy: -45.110
flat angles C4'-P-C4' energy: -53.611
flat angles P-C4'-P energy: -42.950
tors. eta vs tors. theta energy: -51.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -692.733522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.733522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.733522 (E_RNA)
where:
Base-Base interactions energy: -464.066
where: short stacking energy: -210.637
Base-Backbone interact. energy: 3.214
local terms energy: -231.881101
where:
bonds (distance) C4'-P energy: -45.728
bonds (distance) P-C4' energy: -48.078
flat angles C4'-P-C4' energy: -54.089
flat angles P-C4'-P energy: -32.497
tors. eta vs tors. theta energy: -51.489
Dist. restrs. and SS energy: 0.000 (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: 331
Temperature: 1.300000
Total energy: -535.430328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.430328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.430328 (E_RNA)
where:
Base-Base interactions energy: -342.102
where: short stacking energy: -164.293
Base-Backbone interact. energy: 0.637
local terms energy: -193.965843
where:
bonds (distance) C4'-P energy: -44.637
bonds (distance) P-C4' energy: -44.684
flat angles C4'-P-C4' energy: -43.673
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: -31.690
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: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -478.555210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.555210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.555210 (E_RNA)
where:
Base-Base interactions energy: -296.203
where: short stacking energy: -147.066
Base-Backbone interact. energy: 0.071
local terms energy: -182.422511
where:
bonds (distance) C4'-P energy: -35.239
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -43.809
flat angles P-C4'-P energy: -31.648
tors. eta vs tors. theta energy: -30.150
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: 1, replica: 10
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1071.110530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.110530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.110530 (E_RNA)
where:
Base-Base interactions energy: -730.937
where: short stacking energy: -341.796
Base-Backbone interact. energy: -0.810
local terms energy: -339.363079
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -65.195
flat angles C4'-P-C4' energy: -69.862
flat angles P-C4'-P energy: -44.178
tors. eta vs tors. theta energy: -98.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1054.162919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.162919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.162919 (E_RNA)
where:
Base-Base interactions energy: -711.790
where: short stacking energy: -322.017
Base-Backbone interact. energy: -4.324
local terms energy: -338.048962
where:
bonds (distance) C4'-P energy: -67.605
bonds (distance) P-C4' energy: -61.332
flat angles C4'-P-C4' energy: -65.399
flat angles P-C4'-P energy: -41.044
tors. eta vs tors. theta energy: -102.670
Dist. restrs. and SS energy: 0.000 (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: 332
Temperature: 1.000000
Total energy: -1027.336584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.336584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.336584 (E_RNA)
where:
Base-Base interactions energy: -715.250
where: short stacking energy: -302.246
Base-Backbone interact. energy: -0.516
local terms energy: -311.570424
where:
bonds (distance) C4'-P energy: -41.276
bonds (distance) P-C4' energy: -61.595
flat angles C4'-P-C4' energy: -63.589
flat angles P-C4'-P energy: -49.055
tors. eta vs tors. theta energy: -96.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -933.615868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.615868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.615868 (E_RNA)
where:
Base-Base interactions energy: -633.360
where: short stacking energy: -288.356
Base-Backbone interact. energy: -1.712
local terms energy: -298.544140
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -56.663
flat angles C4'-P-C4' energy: -66.855
flat angles P-C4'-P energy: -46.616
tors. eta vs tors. theta energy: -72.805
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: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -875.965928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.965928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.965928 (E_RNA)
where:
Base-Base interactions energy: -604.035
where: short stacking energy: -239.713
Base-Backbone interact. energy: -1.685
local terms energy: -270.245874
where:
bonds (distance) C4'-P energy: -48.450
bonds (distance) P-C4' energy: -50.779
flat angles C4'-P-C4' energy: -63.484
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -66.379
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: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -831.739632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.739632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.739632 (E_RNA)
where:
Base-Base interactions energy: -573.036
where: short stacking energy: -237.512
Base-Backbone interact. energy: 1.754
local terms energy: -260.458439
where:
bonds (distance) C4'-P energy: -60.607
bonds (distance) P-C4' energy: -58.950
flat angles C4'-P-C4' energy: -48.857
flat angles P-C4'-P energy: -31.813
tors. eta vs tors. theta energy: -60.232
Dist. restrs. and SS energy: 0.000 (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: 332
Temperature: 1.200000
Total energy: -764.967553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.967553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.967553 (E_RNA)
where:
Base-Base interactions energy: -514.957
where: short stacking energy: -214.098
Base-Backbone interact. energy: -0.652
local terms energy: -249.358541
where:
bonds (distance) C4'-P energy: -53.358
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -28.019
tors. eta vs tors. theta energy: -56.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -682.379915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.379915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.379915 (E_RNA)
where:
Base-Base interactions energy: -446.231
where: short stacking energy: -189.990
Base-Backbone interact. energy: 0.940
local terms energy: -237.088745
where:
bonds (distance) C4'-P energy: -43.630
bonds (distance) P-C4' energy: -61.807
flat angles C4'-P-C4' energy: -55.136
flat angles P-C4'-P energy: -30.169
tors. eta vs tors. theta energy: -46.347
Dist. restrs. and SS energy: 0.000 (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: 332
Temperature: 1.300000
Total energy: -551.945380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.945380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.945380 (E_RNA)
where:
Base-Base interactions energy: -363.286
where: short stacking energy: -170.588
Base-Backbone interact. energy: -0.846
local terms energy: -187.813758
where:
bonds (distance) C4'-P energy: -40.453
bonds (distance) P-C4' energy: -40.488
flat angles C4'-P-C4' energy: -52.874
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -29.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -464.612364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.612364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.612364 (E_RNA)
where:
Base-Base interactions energy: -288.308
where: short stacking energy: -133.411
Base-Backbone interact. energy: -0.192
local terms energy: -176.111870
where:
bonds (distance) C4'-P energy: -45.355
bonds (distance) P-C4' energy: -48.117
flat angles C4'-P-C4' energy: -43.413
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1073.317999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.317999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.317999 (E_RNA)
where:
Base-Base interactions energy: -740.915
where: short stacking energy: -326.861
Base-Backbone interact. energy: -1.307
local terms energy: -331.095264
where:
bonds (distance) C4'-P energy: -55.047
bonds (distance) P-C4' energy: -58.483
flat angles C4'-P-C4' energy: -70.697
flat angles P-C4'-P energy: -53.018
tors. eta vs tors. theta energy: -93.851
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: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1050.597837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.597837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.597837 (E_RNA)
where:
Base-Base interactions energy: -730.378
where: short stacking energy: -303.704
Base-Backbone interact. energy: -0.742
local terms energy: -319.477783
where:
bonds (distance) C4'-P energy: -55.484
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -97.111
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: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1033.561053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.561053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.561053 (E_RNA)
where:
Base-Base interactions energy: -719.094
where: short stacking energy: -314.132
Base-Backbone interact. energy: -0.300
local terms energy: -314.167252
where:
bonds (distance) C4'-P energy: -56.575
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -66.650
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -93.207
Dist. restrs. and SS energy: 0.000 (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: 333
Temperature: 1.050000
Total energy: -939.109925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.109925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.109925 (E_RNA)
where:
Base-Base interactions energy: -634.387
where: short stacking energy: -284.752
Base-Backbone interact. energy: -1.143
local terms energy: -303.579616
where:
bonds (distance) C4'-P energy: -61.978
bonds (distance) P-C4' energy: -58.100
flat angles C4'-P-C4' energy: -62.669
flat angles P-C4'-P energy: -48.082
tors. eta vs tors. theta energy: -72.750
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: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -928.402376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.402376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.402376 (E_RNA)
where:
Base-Base interactions energy: -640.917
where: short stacking energy: -266.926
Base-Backbone interact. energy: -3.248
local terms energy: -284.237452
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -49.128
flat angles C4'-P-C4' energy: -65.807
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -77.600
Dist. restrs. and SS energy: 0.000 (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: 333
Temperature: 1.150000
Total energy: -863.431895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.431895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.431895 (E_RNA)
where:
Base-Base interactions energy: -589.435
where: short stacking energy: -234.588
Base-Backbone interact. energy: 1.335
local terms energy: -275.331986
where:
bonds (distance) C4'-P energy: -55.340
bonds (distance) P-C4' energy: -57.736
flat angles C4'-P-C4' energy: -58.854
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -63.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -734.738994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.738994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.738994 (E_RNA)
where:
Base-Base interactions energy: -480.089
where: short stacking energy: -228.964
Base-Backbone interact. energy: -1.406
local terms energy: -253.243480
where:
bonds (distance) C4'-P energy: -53.868
bonds (distance) P-C4' energy: -57.734
flat angles C4'-P-C4' energy: -52.731
flat angles P-C4'-P energy: -36.230
tors. eta vs tors. theta energy: -52.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -696.582443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.582443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.582443 (E_RNA)
where:
Base-Base interactions energy: -458.772
where: short stacking energy: -187.784
Base-Backbone interact. energy: -0.983
local terms energy: -236.827122
where:
bonds (distance) C4'-P energy: -50.609
bonds (distance) P-C4' energy: -52.083
flat angles C4'-P-C4' energy: -60.701
flat angles P-C4'-P energy: -29.535
tors. eta vs tors. theta energy: -43.899
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: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -566.138755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.138755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.138755 (E_RNA)
where:
Base-Base interactions energy: -352.513
where: short stacking energy: -158.165
Base-Backbone interact. energy: -0.674
local terms energy: -212.951895
where:
bonds (distance) C4'-P energy: -55.822
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -48.897
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: -18.266
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: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -561.841938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.841938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.841938 (E_RNA)
where:
Base-Base interactions energy: -369.628
where: short stacking energy: -168.328
Base-Backbone interact. energy: 0.376
local terms energy: -192.590447
where:
bonds (distance) C4'-P energy: -46.764
bonds (distance) P-C4' energy: -43.703
flat angles C4'-P-C4' energy: -54.353
flat angles P-C4'-P energy: -25.064
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1075.929479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.929479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.929479 (E_RNA)
where:
Base-Base interactions energy: -769.591
where: short stacking energy: -329.924
Base-Backbone interact. energy: -3.053
local terms energy: -303.285606
where:
bonds (distance) C4'-P energy: -55.927
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -64.192
flat angles P-C4'-P energy: -37.757
tors. eta vs tors. theta energy: -90.656
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: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1069.752600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.752600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.752600 (E_RNA)
where:
Base-Base interactions energy: -728.870
where: short stacking energy: -341.945
Base-Backbone interact. energy: -1.602
local terms energy: -339.280682
where:
bonds (distance) C4'-P energy: -64.510
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -73.164
flat angles P-C4'-P energy: -51.549
tors. eta vs tors. theta energy: -101.591
Dist. restrs. and SS energy: 0.000 (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: 334
Temperature: 1.000000
Total energy: -1028.424655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.424655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.424655 (E_RNA)
where:
Base-Base interactions energy: -714.634
where: short stacking energy: -310.484
Base-Backbone interact. energy: -0.932
local terms energy: -312.858809
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -62.267
flat angles C4'-P-C4' energy: -66.060
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -94.363
Dist. restrs. and SS energy: 0.000 (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: 334
Temperature: 1.050000
Total energy: -913.692569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.692569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.692569 (E_RNA)
where:
Base-Base interactions energy: -631.742
where: short stacking energy: -261.605
Base-Backbone interact. energy: -2.165
local terms energy: -279.785222
where:
bonds (distance) C4'-P energy: -52.223
bonds (distance) P-C4' energy: -59.515
flat angles C4'-P-C4' energy: -66.595
flat angles P-C4'-P energy: -32.939
tors. eta vs tors. theta energy: -68.514
Dist. restrs. and SS energy: 0.000 (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: 334
Temperature: 1.100000
Total energy: -871.222686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.222686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.222686 (E_RNA)
where:
Base-Base interactions energy: -591.653
where: short stacking energy: -249.971
Base-Backbone interact. energy: 0.313
local terms energy: -279.882054
where:
bonds (distance) C4'-P energy: -49.468
bonds (distance) P-C4' energy: -58.003
flat angles C4'-P-C4' energy: -64.040
flat angles P-C4'-P energy: -36.284
tors. eta vs tors. theta energy: -72.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -821.095694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.095694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.095694 (E_RNA)
where:
Base-Base interactions energy: -555.845
where: short stacking energy: -249.686
Base-Backbone interact. energy: 0.048
local terms energy: -265.298786
where:
bonds (distance) C4'-P energy: -48.005
bonds (distance) P-C4' energy: -49.749
flat angles C4'-P-C4' energy: -63.434
flat angles P-C4'-P energy: -40.657
tors. eta vs tors. theta energy: -63.453
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: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -739.969639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.969639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.969639 (E_RNA)
where:
Base-Base interactions energy: -506.784
where: short stacking energy: -219.637
Base-Backbone interact. energy: -2.185
local terms energy: -231.000942
where:
bonds (distance) C4'-P energy: -48.770
bonds (distance) P-C4' energy: -53.148
flat angles C4'-P-C4' energy: -50.838
flat angles P-C4'-P energy: -36.542
tors. eta vs tors. theta energy: -41.703
Dist. restrs. and SS energy: 0.000 (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: 334
Temperature: 1.250000
Total energy: -698.132255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.132255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.132255 (E_RNA)
where:
Base-Base interactions energy: -463.690
where: short stacking energy: -209.316
Base-Backbone interact. energy: -1.499
local terms energy: -232.943274
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -34.478
tors. eta vs tors. theta energy: -56.251
Dist. restrs. and SS energy: 0.000 (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: 334
Temperature: 1.300000
Total energy: -571.328487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.328487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.328487 (E_RNA)
where:
Base-Base interactions energy: -378.767
where: short stacking energy: -189.513
Base-Backbone interact. energy: 5.475
local terms energy: -198.036612
where:
bonds (distance) C4'-P energy: -42.587
bonds (distance) P-C4' energy: -49.547
flat angles C4'-P-C4' energy: -44.502
flat angles P-C4'-P energy: -26.873
tors. eta vs tors. theta energy: -34.528
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: 10, replica: 9
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -551.860467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.860467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.860467 (E_RNA)
where:
Base-Base interactions energy: -345.152
where: short stacking energy: -144.533
Base-Backbone interact. energy: -2.053
local terms energy: -204.655476
where:
bonds (distance) C4'-P energy: -50.258
bonds (distance) P-C4' energy: -45.638
flat angles C4'-P-C4' energy: -40.215
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1090.546467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.546467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.546467 (E_RNA)
where:
Base-Base interactions energy: -759.054
where: short stacking energy: -335.009
Base-Backbone interact. energy: -1.961
local terms energy: -329.532175
where:
bonds (distance) C4'-P energy: -51.487
bonds (distance) P-C4' energy: -63.710
flat angles C4'-P-C4' energy: -67.691
flat angles P-C4'-P energy: -49.480
tors. eta vs tors. theta energy: -97.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1053.793238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.793238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.793238 (E_RNA)
where:
Base-Base interactions energy: -722.505
where: short stacking energy: -331.074
Base-Backbone interact. energy: 1.167
local terms energy: -332.455406
where:
bonds (distance) C4'-P energy: -52.977
bonds (distance) P-C4' energy: -58.069
flat angles C4'-P-C4' energy: -65.622
flat angles P-C4'-P energy: -54.604
tors. eta vs tors. theta energy: -101.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1026.401763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.401763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.401763 (E_RNA)
where:
Base-Base interactions energy: -708.079
where: short stacking energy: -311.750
Base-Backbone interact. energy: -0.325
local terms energy: -317.997849
where:
bonds (distance) C4'-P energy: -69.977
bonds (distance) P-C4' energy: -50.813
flat angles C4'-P-C4' energy: -63.560
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -90.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -896.206612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.206612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.206612 (E_RNA)
where:
Base-Base interactions energy: -633.674
where: short stacking energy: -254.032
Base-Backbone interact. energy: 0.816
local terms energy: -263.348425
where:
bonds (distance) C4'-P energy: -53.971
bonds (distance) P-C4' energy: -59.975
flat angles C4'-P-C4' energy: -60.480
flat angles P-C4'-P energy: -35.065
tors. eta vs tors. theta energy: -53.858
Dist. restrs. and SS energy: 0.000 (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: 335
Temperature: 1.100000
Total energy: -886.695008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.695008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.695008 (E_RNA)
where:
Base-Base interactions energy: -626.622
where: short stacking energy: -258.526
Base-Backbone interact. energy: 0.530
local terms energy: -260.603366
where:
bonds (distance) C4'-P energy: -52.478
bonds (distance) P-C4' energy: -56.805
flat angles C4'-P-C4' energy: -60.527
flat angles P-C4'-P energy: -27.322
tors. eta vs tors. theta energy: -63.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -758.352771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.352771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.352771 (E_RNA)
where:
Base-Base interactions energy: -515.930
where: short stacking energy: -214.267
Base-Backbone interact. energy: 2.363
local terms energy: -244.785505
where:
bonds (distance) C4'-P energy: -51.232
bonds (distance) P-C4' energy: -60.767
flat angles C4'-P-C4' energy: -51.025
flat angles P-C4'-P energy: -36.386
tors. eta vs tors. theta energy: -45.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -780.363109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.363109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.363109 (E_RNA)
where:
Base-Base interactions energy: -522.517
where: short stacking energy: -213.970
Base-Backbone interact. energy: -0.633
local terms energy: -257.212967
where:
bonds (distance) C4'-P energy: -54.137
bonds (distance) P-C4' energy: -57.605
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -38.373
tors. eta vs tors. theta energy: -60.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -705.073791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.073791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.073791 (E_RNA)
where:
Base-Base interactions energy: -448.189
where: short stacking energy: -210.442
Base-Backbone interact. energy: -0.482
local terms energy: -256.403232
where:
bonds (distance) C4'-P energy: -52.036
bonds (distance) P-C4' energy: -54.784
flat angles C4'-P-C4' energy: -53.618
flat angles P-C4'-P energy: -42.807
tors. eta vs tors. theta energy: -53.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -534.738240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.738240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.738240 (E_RNA)
where:
Base-Base interactions energy: -326.124
where: short stacking energy: -146.992
Base-Backbone interact. energy: 0.875
local terms energy: -209.490104
where:
bonds (distance) C4'-P energy: -63.253
bonds (distance) P-C4' energy: -45.518
flat angles C4'-P-C4' energy: -55.358
flat angles P-C4'-P energy: -28.395
tors. eta vs tors. theta energy: -16.966
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: 10, replica: 9
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -549.911998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.911998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.911998 (E_RNA)
where:
Base-Base interactions energy: -335.878
where: short stacking energy: -151.112
Base-Backbone interact. energy: -0.513
local terms energy: -213.521294
where:
bonds (distance) C4'-P energy: -51.725
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -41.549
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -38.054
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: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1092.602480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.602480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.602480 (E_RNA)
where:
Base-Base interactions energy: -750.745
where: short stacking energy: -323.952
Base-Backbone interact. energy: -0.537
local terms energy: -341.320314
where:
bonds (distance) C4'-P energy: -59.927
bonds (distance) P-C4' energy: -63.200
flat angles C4'-P-C4' energy: -75.068
flat angles P-C4'-P energy: -47.088
tors. eta vs tors. theta energy: -96.036
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: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1053.330664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.330664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.330664 (E_RNA)
where:
Base-Base interactions energy: -715.082
where: short stacking energy: -324.892
Base-Backbone interact. energy: -1.094
local terms energy: -337.154404
where:
bonds (distance) C4'-P energy: -50.228
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -72.832
flat angles P-C4'-P energy: -45.109
tors. eta vs tors. theta energy: -99.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1047.264971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.264971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.264971 (E_RNA)
where:
Base-Base interactions energy: -709.672
where: short stacking energy: -324.300
Base-Backbone interact. energy: -0.667
local terms energy: -336.925882
where:
bonds (distance) C4'-P energy: -63.688
bonds (distance) P-C4' energy: -60.189
flat angles C4'-P-C4' energy: -73.390
flat angles P-C4'-P energy: -42.724
tors. eta vs tors. theta energy: -96.934
Dist. restrs. and SS energy: 0.000 (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: 336
Temperature: 1.050000
Total energy: -902.929403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.929403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.929403 (E_RNA)
where:
Base-Base interactions energy: -610.518
where: short stacking energy: -274.135
Base-Backbone interact. energy: -0.657
local terms energy: -291.754663
where:
bonds (distance) C4'-P energy: -55.594
bonds (distance) P-C4' energy: -59.557
flat angles C4'-P-C4' energy: -67.923
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: -68.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -883.089548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.089548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.089548 (E_RNA)
where:
Base-Base interactions energy: -617.022
where: short stacking energy: -249.942
Base-Backbone interact. energy: -1.197
local terms energy: -264.870377
where:
bonds (distance) C4'-P energy: -52.944
bonds (distance) P-C4' energy: -48.933
flat angles C4'-P-C4' energy: -56.491
flat angles P-C4'-P energy: -46.784
tors. eta vs tors. theta energy: -59.719
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: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -796.823112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.823112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.823112 (E_RNA)
where:
Base-Base interactions energy: -540.737
where: short stacking energy: -253.366
Base-Backbone interact. energy: -0.821
local terms energy: -255.264841
where:
bonds (distance) C4'-P energy: -46.060
bonds (distance) P-C4' energy: -43.764
flat angles C4'-P-C4' energy: -60.037
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -69.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -754.720341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.720341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.720341 (E_RNA)
where:
Base-Base interactions energy: -496.112
where: short stacking energy: -224.622
Base-Backbone interact. energy: -2.149
local terms energy: -256.459440
where:
bonds (distance) C4'-P energy: -58.335
bonds (distance) P-C4' energy: -49.473
flat angles C4'-P-C4' energy: -61.968
flat angles P-C4'-P energy: -33.915
tors. eta vs tors. theta energy: -52.768
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: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -729.447314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.447314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.447314 (E_RNA)
where:
Base-Base interactions energy: -480.218
where: short stacking energy: -209.763
Base-Backbone interact. energy: -0.817
local terms energy: -248.412548
where:
bonds (distance) C4'-P energy: -51.687
bonds (distance) P-C4' energy: -55.168
flat angles C4'-P-C4' energy: -47.922
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: -57.196
Dist. restrs. and SS energy: 0.000 (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: 336
Temperature: 1.300000
Total energy: -593.814031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.814031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.814031 (E_RNA)
where:
Base-Base interactions energy: -378.604
where: short stacking energy: -190.780
Base-Backbone interact. energy: -0.503
local terms energy: -214.706580
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -58.702
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -17.507
tors. eta vs tors. theta energy: -46.423
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: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -484.352000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.352000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.352000 (E_RNA)
where:
Base-Base interactions energy: -307.769
where: short stacking energy: -138.372
Base-Backbone interact. energy: 2.453
local terms energy: -179.036106
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -45.250
flat angles C4'-P-C4' energy: -44.362
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1094.130912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.130912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.130912 (E_RNA)
where:
Base-Base interactions energy: -760.946
where: short stacking energy: -327.550
Base-Backbone interact. energy: -1.359
local terms energy: -331.825454
where:
bonds (distance) C4'-P energy: -60.785
bonds (distance) P-C4' energy: -61.789
flat angles C4'-P-C4' energy: -71.150
flat angles P-C4'-P energy: -40.561
tors. eta vs tors. theta energy: -97.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1060.620934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.620934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.620934 (E_RNA)
where:
Base-Base interactions energy: -723.160
where: short stacking energy: -331.838
Base-Backbone interact. energy: -0.191
local terms energy: -337.270257
where:
bonds (distance) C4'-P energy: -61.295
bonds (distance) P-C4' energy: -57.844
flat angles C4'-P-C4' energy: -70.552
flat angles P-C4'-P energy: -46.332
tors. eta vs tors. theta energy: -101.247
Dist. restrs. and SS energy: 0.000 (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: 337
Temperature: 1.000000
Total energy: -1022.674720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.674720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.674720 (E_RNA)
where:
Base-Base interactions energy: -705.816
where: short stacking energy: -311.640
Base-Backbone interact. energy: -0.378
local terms energy: -316.480154
where:
bonds (distance) C4'-P energy: -54.395
bonds (distance) P-C4' energy: -60.712
flat angles C4'-P-C4' energy: -64.168
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -94.795
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: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -923.024943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.024943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.024943 (E_RNA)
where:
Base-Base interactions energy: -643.456
where: short stacking energy: -269.249
Base-Backbone interact. energy: 0.114
local terms energy: -279.682069
where:
bonds (distance) C4'-P energy: -48.606
bonds (distance) P-C4' energy: -54.270
flat angles C4'-P-C4' energy: -66.068
flat angles P-C4'-P energy: -39.845
tors. eta vs tors. theta energy: -70.893
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: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -881.098628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.098628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.098628 (E_RNA)
where:
Base-Base interactions energy: -587.571
where: short stacking energy: -254.588
Base-Backbone interact. energy: -1.412
local terms energy: -292.115657
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -55.437
flat angles C4'-P-C4' energy: -67.297
flat angles P-C4'-P energy: -48.268
tors. eta vs tors. theta energy: -71.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -790.041010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.041010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.041010 (E_RNA)
where:
Base-Base interactions energy: -522.189
where: short stacking energy: -242.745
Base-Backbone interact. energy: -0.364
local terms energy: -267.487333
where:
bonds (distance) C4'-P energy: -55.840
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -60.033
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -58.267
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: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -793.556303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.556303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.556303 (E_RNA)
where:
Base-Base interactions energy: -538.683
where: short stacking energy: -243.099
Base-Backbone interact. energy: -0.345
local terms energy: -254.529043
where:
bonds (distance) C4'-P energy: -45.761
bonds (distance) P-C4' energy: -50.122
flat angles C4'-P-C4' energy: -54.171
flat angles P-C4'-P energy: -35.697
tors. eta vs tors. theta energy: -68.778
Dist. restrs. and SS energy: 0.000 (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: 337
Temperature: 1.250000
Total energy: -733.487626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.487626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.487626 (E_RNA)
where:
Base-Base interactions energy: -498.286
where: short stacking energy: -222.285
Base-Backbone interact. energy: -0.965
local terms energy: -234.236726
where:
bonds (distance) C4'-P energy: -43.808
bonds (distance) P-C4' energy: -49.200
flat angles C4'-P-C4' energy: -58.191
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -57.891
Dist. restrs. and SS energy: 0.000 (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: 337
Temperature: 1.300000
Total energy: -585.595432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.595432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.595432 (E_RNA)
where:
Base-Base interactions energy: -362.368
where: short stacking energy: -160.973
Base-Backbone interact. energy: -0.585
local terms energy: -222.642605
where:
bonds (distance) C4'-P energy: -56.951
bonds (distance) P-C4' energy: -60.591
flat angles C4'-P-C4' energy: -47.439
flat angles P-C4'-P energy: -33.945
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (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: 337
Temperature: 1.350000
Total energy: -559.357905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.357905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.357905 (E_RNA)
where:
Base-Base interactions energy: -340.161
where: short stacking energy: -162.514
Base-Backbone interact. energy: -0.020
local terms energy: -219.176290
where:
bonds (distance) C4'-P energy: -51.341
bonds (distance) P-C4' energy: -49.093
flat angles C4'-P-C4' energy: -57.032
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (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: 338
Temperature: 0.900000
Total energy: -1089.239123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.239123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.239123 (E_RNA)
where:
Base-Base interactions energy: -745.036
where: short stacking energy: -329.722
Base-Backbone interact. energy: -0.685
local terms energy: -343.518142
where:
bonds (distance) C4'-P energy: -65.628
bonds (distance) P-C4' energy: -58.491
flat angles C4'-P-C4' energy: -72.349
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: -98.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1053.014035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.014035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.014035 (E_RNA)
where:
Base-Base interactions energy: -720.245
where: short stacking energy: -296.892
Base-Backbone interact. energy: -0.765
local terms energy: -332.003930
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -67.705
flat angles C4'-P-C4' energy: -67.048
flat angles P-C4'-P energy: -45.076
tors. eta vs tors. theta energy: -91.804
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: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1025.012397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.012397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.012397 (E_RNA)
where:
Base-Base interactions energy: -704.254
where: short stacking energy: -314.899
Base-Backbone interact. energy: -0.607
local terms energy: -320.151604
where:
bonds (distance) C4'-P energy: -51.254
bonds (distance) P-C4' energy: -61.163
flat angles C4'-P-C4' energy: -71.036
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -90.378
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: 4, replica: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -932.051875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.051875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.051875 (E_RNA)
where:
Base-Base interactions energy: -638.729
where: short stacking energy: -281.207
Base-Backbone interact. energy: -0.544
local terms energy: -292.778239
where:
bonds (distance) C4'-P energy: -53.745
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -61.893
flat angles P-C4'-P energy: -33.461
tors. eta vs tors. theta energy: -78.751
Dist. restrs. and SS energy: 0.000 (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: 338
Temperature: 1.100000
Total energy: -867.071383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.071383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.071383 (E_RNA)
where:
Base-Base interactions energy: -589.740
where: short stacking energy: -268.195
Base-Backbone interact. energy: -0.459
local terms energy: -276.872360
where:
bonds (distance) C4'-P energy: -52.448
bonds (distance) P-C4' energy: -48.346
flat angles C4'-P-C4' energy: -60.686
flat angles P-C4'-P energy: -41.700
tors. eta vs tors. theta energy: -73.692
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: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -831.134263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.134263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.134263 (E_RNA)
where:
Base-Base interactions energy: -554.269
where: short stacking energy: -261.608
Base-Backbone interact. energy: -0.885
local terms energy: -275.979748
where:
bonds (distance) C4'-P energy: -49.835
bonds (distance) P-C4' energy: -58.415
flat angles C4'-P-C4' energy: -64.729
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -69.329
Dist. restrs. and SS energy: 0.000 (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: 338
Temperature: 1.200000
Total energy: -764.147436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.147436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.147436 (E_RNA)
where:
Base-Base interactions energy: -495.118
where: short stacking energy: -235.088
Base-Backbone interact. energy: -0.711
local terms energy: -268.318638
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -49.151
flat angles C4'-P-C4' energy: -56.866
flat angles P-C4'-P energy: -48.168
tors. eta vs tors. theta energy: -58.876
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: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -707.210767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.210767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.210767 (E_RNA)
where:
Base-Base interactions energy: -457.878
where: short stacking energy: -203.266
Base-Backbone interact. energy: 4.697
local terms energy: -254.029944
where:
bonds (distance) C4'-P energy: -45.212
bonds (distance) P-C4' energy: -56.194
flat angles C4'-P-C4' energy: -57.315
flat angles P-C4'-P energy: -40.474
tors. eta vs tors. theta energy: -54.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -605.651226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.651226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.651226 (E_RNA)
where:
Base-Base interactions energy: -378.254
where: short stacking energy: -186.861
Base-Backbone interact. energy: -0.695
local terms energy: -226.702254
where:
bonds (distance) C4'-P energy: -44.493
bonds (distance) P-C4' energy: -52.203
flat angles C4'-P-C4' energy: -61.387
flat angles P-C4'-P energy: -31.883
tors. eta vs tors. theta energy: -36.736
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: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -496.442302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.442302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.442302 (E_RNA)
where:
Base-Base interactions energy: -295.948
where: short stacking energy: -127.600
Base-Backbone interact. energy: -1.346
local terms energy: -199.148070
where:
bonds (distance) C4'-P energy: -48.047
bonds (distance) P-C4' energy: -48.744
flat angles C4'-P-C4' energy: -58.944
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -9.346
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: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1066.362984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.362984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.362984 (E_RNA)
where:
Base-Base interactions energy: -722.892
where: short stacking energy: -320.390
Base-Backbone interact. energy: -0.765
local terms energy: -342.705914
where:
bonds (distance) C4'-P energy: -61.041
bonds (distance) P-C4' energy: -66.278
flat angles C4'-P-C4' energy: -68.090
flat angles P-C4'-P energy: -50.310
tors. eta vs tors. theta energy: -96.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1062.932819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.932819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.932819 (E_RNA)
where:
Base-Base interactions energy: -727.813
where: short stacking energy: -325.435
Base-Backbone interact. energy: -0.435
local terms energy: -334.684739
where:
bonds (distance) C4'-P energy: -61.342
bonds (distance) P-C4' energy: -67.399
flat angles C4'-P-C4' energy: -73.490
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: -87.528
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: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1026.573881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.573881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.573881 (E_RNA)
where:
Base-Base interactions energy: -718.861
where: short stacking energy: -312.810
Base-Backbone interact. energy: -0.845
local terms energy: -306.868039
where:
bonds (distance) C4'-P energy: -56.883
bonds (distance) P-C4' energy: -51.002
flat angles C4'-P-C4' energy: -64.579
flat angles P-C4'-P energy: -42.439
tors. eta vs tors. theta energy: -91.965
Dist. restrs. and SS energy: 0.000 (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: 339
Temperature: 1.050000
Total energy: -936.954965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.954965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.954965 (E_RNA)
where:
Base-Base interactions energy: -629.447
where: short stacking energy: -279.893
Base-Backbone interact. energy: -1.071
local terms energy: -306.437761
where:
bonds (distance) C4'-P energy: -56.006
bonds (distance) P-C4' energy: -55.386
flat angles C4'-P-C4' energy: -63.343
flat angles P-C4'-P energy: -46.353
tors. eta vs tors. theta energy: -85.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -912.703124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.703124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.703124 (E_RNA)
where:
Base-Base interactions energy: -617.644
where: short stacking energy: -283.998
Base-Backbone interact. energy: 0.506
local terms energy: -295.564946
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -59.661
flat angles C4'-P-C4' energy: -60.963
flat angles P-C4'-P energy: -37.441
tors. eta vs tors. theta energy: -85.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -763.925317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.925317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.925317 (E_RNA)
where:
Base-Base interactions energy: -494.448
where: short stacking energy: -225.535
Base-Backbone interact. energy: -0.644
local terms energy: -268.832778
where:
bonds (distance) C4'-P energy: -56.045
bonds (distance) P-C4' energy: -56.942
flat angles C4'-P-C4' energy: -57.974
flat angles P-C4'-P energy: -46.995
tors. eta vs tors. theta energy: -50.875
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: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -810.316149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.316149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.316149 (E_RNA)
where:
Base-Base interactions energy: -559.016
where: short stacking energy: -252.572
Base-Backbone interact. energy: 0.997
local terms energy: -252.297240
where:
bonds (distance) C4'-P energy: -45.895
bonds (distance) P-C4' energy: -55.420
flat angles C4'-P-C4' energy: -51.251
flat angles P-C4'-P energy: -34.738
tors. eta vs tors. theta energy: -64.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -719.547700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.547700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.547700 (E_RNA)
where:
Base-Base interactions energy: -470.059
where: short stacking energy: -212.629
Base-Backbone interact. energy: -0.420
local terms energy: -249.069233
where:
bonds (distance) C4'-P energy: -47.829
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -50.372
flat angles P-C4'-P energy: -47.378
tors. eta vs tors. theta energy: -56.892
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: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -643.196489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.196489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.196489 (E_RNA)
where:
Base-Base interactions energy: -406.815
where: short stacking energy: -190.199
Base-Backbone interact. energy: -0.463
local terms energy: -235.917810
where:
bonds (distance) C4'-P energy: -52.713
bonds (distance) P-C4' energy: -62.083
flat angles C4'-P-C4' energy: -58.805
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -33.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -492.705986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.705986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.705986 (E_RNA)
where:
Base-Base interactions energy: -290.147
where: short stacking energy: -137.969
Base-Backbone interact. energy: 0.349
local terms energy: -202.908318
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -44.408
flat angles C4'-P-C4' energy: -59.571
flat angles P-C4'-P energy: -24.307
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1091.374120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.374120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.374120 (E_RNA)
where:
Base-Base interactions energy: -748.853
where: short stacking energy: -327.949
Base-Backbone interact. energy: -1.953
local terms energy: -340.568129
where:
bonds (distance) C4'-P energy: -61.693
bonds (distance) P-C4' energy: -60.322
flat angles C4'-P-C4' energy: -74.991
flat angles P-C4'-P energy: -45.712
tors. eta vs tors. theta energy: -97.851
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: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1044.171105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.171105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.171105 (E_RNA)
where:
Base-Base interactions energy: -707.717
where: short stacking energy: -316.344
Base-Backbone interact. energy: 0.593
local terms energy: -337.046589
where:
bonds (distance) C4'-P energy: -52.779
bonds (distance) P-C4' energy: -65.222
flat angles C4'-P-C4' energy: -72.262
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -96.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1022.721248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.721248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.721248 (E_RNA)
where:
Base-Base interactions energy: -721.260
where: short stacking energy: -327.446
Base-Backbone interact. energy: -0.627
local terms energy: -300.833680
where:
bonds (distance) C4'-P energy: -44.313
bonds (distance) P-C4' energy: -50.033
flat angles C4'-P-C4' energy: -70.427
flat angles P-C4'-P energy: -41.250
tors. eta vs tors. theta energy: -94.811
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: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -942.479643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.479643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.479643 (E_RNA)
where:
Base-Base interactions energy: -645.236
where: short stacking energy: -279.989
Base-Backbone interact. energy: -1.885
local terms energy: -295.358500
where:
bonds (distance) C4'-P energy: -56.620
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -61.870
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -71.088
Dist. restrs. and SS energy: 0.000 (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: 340
Temperature: 1.100000
Total energy: -904.573905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.573905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.573905 (E_RNA)
where:
Base-Base interactions energy: -608.763
where: short stacking energy: -280.168
Base-Backbone interact. energy: -1.165
local terms energy: -294.645926
where:
bonds (distance) C4'-P energy: -49.877
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -71.057
flat angles P-C4'-P energy: -45.210
tors. eta vs tors. theta energy: -76.883
Dist. restrs. and SS energy: 0.000 (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: 340
Temperature: 1.150000
Total energy: -783.823515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.823515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.823515 (E_RNA)
where:
Base-Base interactions energy: -529.185
where: short stacking energy: -229.511
Base-Backbone interact. energy: -0.326
local terms energy: -254.312547
where:
bonds (distance) C4'-P energy: -51.889
bonds (distance) P-C4' energy: -47.098
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -42.498
tors. eta vs tors. theta energy: -53.349
Dist. restrs. and SS energy: 0.000 (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: 340
Temperature: 1.200000
Total energy: -787.898026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.898026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.898026 (E_RNA)
where:
Base-Base interactions energy: -536.611
where: short stacking energy: -233.112
Base-Backbone interact. energy: -0.759
local terms energy: -250.528567
where:
bonds (distance) C4'-P energy: -51.083
bonds (distance) P-C4' energy: -51.230
flat angles C4'-P-C4' energy: -58.535
flat angles P-C4'-P energy: -39.294
tors. eta vs tors. theta energy: -50.386
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: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -684.362976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.362976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.362976 (E_RNA)
where:
Base-Base interactions energy: -459.365
where: short stacking energy: -207.771
Base-Backbone interact. energy: 0.612
local terms energy: -225.610112
where:
bonds (distance) C4'-P energy: -61.740
bonds (distance) P-C4' energy: -34.363
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -29.023
tors. eta vs tors. theta energy: -44.781
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: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -549.493342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.493342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.493342 (E_RNA)
where:
Base-Base interactions energy: -369.800
where: short stacking energy: -173.429
Base-Backbone interact. energy: 0.045
local terms energy: -179.738268
where:
bonds (distance) C4'-P energy: -48.848
bonds (distance) P-C4' energy: -50.400
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -26.254
Dist. restrs. and SS energy: 0.000 (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: 340
Temperature: 1.350000
Total energy: -586.450631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.450631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.450631 (E_RNA)
where:
Base-Base interactions energy: -380.983
where: short stacking energy: -159.741
Base-Backbone interact. energy: -0.239
local terms energy: -205.228911
where:
bonds (distance) C4'-P energy: -43.232
bonds (distance) P-C4' energy: -50.083
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: -24.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1072.971914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.971914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.971914 (E_RNA)
where:
Base-Base interactions energy: -731.770
where: short stacking energy: -318.794
Base-Backbone interact. energy: -1.759
local terms energy: -339.443035
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -59.280
flat angles C4'-P-C4' energy: -70.769
flat angles P-C4'-P energy: -52.827
tors. eta vs tors. theta energy: -91.726
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: 2, replica: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1041.916747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.916747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.916747 (E_RNA)
where:
Base-Base interactions energy: -710.201
where: short stacking energy: -332.356
Base-Backbone interact. energy: 0.114
local terms energy: -331.830450
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -56.117
flat angles C4'-P-C4' energy: -70.627
flat angles P-C4'-P energy: -45.367
tors. eta vs tors. theta energy: -101.555
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: 3, replica: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1026.021221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.021221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.021221 (E_RNA)
where:
Base-Base interactions energy: -710.235
where: short stacking energy: -314.411
Base-Backbone interact. energy: -1.510
local terms energy: -314.276463
where:
bonds (distance) C4'-P energy: -50.515
bonds (distance) P-C4' energy: -54.780
flat angles C4'-P-C4' energy: -68.889
flat angles P-C4'-P energy: -48.256
tors. eta vs tors. theta energy: -91.836
Dist. restrs. and SS energy: 0.000 (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: 341
Temperature: 1.050000
Total energy: -927.899787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.899787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.899787 (E_RNA)
where:
Base-Base interactions energy: -660.688
where: short stacking energy: -267.337
Base-Backbone interact. energy: -3.257
local terms energy: -263.953929
where:
bonds (distance) C4'-P energy: -44.494
bonds (distance) P-C4' energy: -53.053
flat angles C4'-P-C4' energy: -63.671
flat angles P-C4'-P energy: -35.880
tors. eta vs tors. theta energy: -66.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -882.285474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.285474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.285474 (E_RNA)
where:
Base-Base interactions energy: -597.320
where: short stacking energy: -258.459
Base-Backbone interact. energy: 0.250
local terms energy: -285.216090
where:
bonds (distance) C4'-P energy: -52.545
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -65.044
flat angles P-C4'-P energy: -38.859
tors. eta vs tors. theta energy: -72.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -824.928281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.928281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.928281 (E_RNA)
where:
Base-Base interactions energy: -560.663
where: short stacking energy: -234.429
Base-Backbone interact. energy: 0.327
local terms energy: -264.592784
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -61.246
flat angles C4'-P-C4' energy: -60.122
flat angles P-C4'-P energy: -37.750
tors. eta vs tors. theta energy: -59.150
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: 7, replica: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -763.674044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.674044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.674044 (E_RNA)
where:
Base-Base interactions energy: -515.646
where: short stacking energy: -213.795
Base-Backbone interact. energy: 0.599
local terms energy: -248.627111
where:
bonds (distance) C4'-P energy: -52.963
bonds (distance) P-C4' energy: -58.883
flat angles C4'-P-C4' energy: -57.380
flat angles P-C4'-P energy: -27.791
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (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: 341
Temperature: 1.250000
Total energy: -679.161495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.161495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.161495 (E_RNA)
where:
Base-Base interactions energy: -457.505
where: short stacking energy: -214.192
Base-Backbone interact. energy: -0.478
local terms energy: -221.178706
where:
bonds (distance) C4'-P energy: -43.800
bonds (distance) P-C4' energy: -55.307
flat angles C4'-P-C4' energy: -60.233
flat angles P-C4'-P energy: -24.821
tors. eta vs tors. theta energy: -37.018
Dist. restrs. and SS energy: 0.000 (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: 341
Temperature: 1.300000
Total energy: -577.406325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.406325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.406325 (E_RNA)
where:
Base-Base interactions energy: -348.696
where: short stacking energy: -166.573
Base-Backbone interact. energy: 4.290
local terms energy: -232.999851
where:
bonds (distance) C4'-P energy: -54.706
bonds (distance) P-C4' energy: -57.097
flat angles C4'-P-C4' energy: -57.043
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: -30.949
Dist. restrs. and SS energy: 0.000 (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: 341
Temperature: 1.350000
Total energy: -560.876154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.876154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.876154 (E_RNA)
where:
Base-Base interactions energy: -339.787
where: short stacking energy: -154.884
Base-Backbone interact. energy: -0.707
local terms energy: -220.382686
where:
bonds (distance) C4'-P energy: -61.452
bonds (distance) P-C4' energy: -61.726
flat angles C4'-P-C4' energy: -43.777
flat angles P-C4'-P energy: -24.998
tors. eta vs tors. theta energy: -28.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1067.493569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.493569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.493569 (E_RNA)
where:
Base-Base interactions energy: -730.654
where: short stacking energy: -330.786
Base-Backbone interact. energy: -0.119
local terms energy: -336.720298
where:
bonds (distance) C4'-P energy: -63.041
bonds (distance) P-C4' energy: -57.473
flat angles C4'-P-C4' energy: -67.110
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -97.490
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: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1057.303968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.303968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.303968 (E_RNA)
where:
Base-Base interactions energy: -732.657
where: short stacking energy: -320.726
Base-Backbone interact. energy: 0.317
local terms energy: -324.964060
where:
bonds (distance) C4'-P energy: -57.099
bonds (distance) P-C4' energy: -65.149
flat angles C4'-P-C4' energy: -65.232
flat angles P-C4'-P energy: -42.409
tors. eta vs tors. theta energy: -95.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1019.306993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.306993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.306993 (E_RNA)
where:
Base-Base interactions energy: -704.079
where: short stacking energy: -313.363
Base-Backbone interact. energy: -1.149
local terms energy: -314.079797
where:
bonds (distance) C4'-P energy: -52.046
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -72.828
flat angles P-C4'-P energy: -47.338
tors. eta vs tors. theta energy: -89.268
Dist. restrs. and SS energy: 0.000 (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: 342
Temperature: 1.050000
Total energy: -923.231098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.231098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.231098 (E_RNA)
where:
Base-Base interactions energy: -635.306
where: short stacking energy: -259.968
Base-Backbone interact. energy: -0.968
local terms energy: -286.956491
where:
bonds (distance) C4'-P energy: -56.326
bonds (distance) P-C4' energy: -58.484
flat angles C4'-P-C4' energy: -54.776
flat angles P-C4'-P energy: -39.772
tors. eta vs tors. theta energy: -77.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -924.474661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.474661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.474661 (E_RNA)
where:
Base-Base interactions energy: -628.956
where: short stacking energy: -279.832
Base-Backbone interact. energy: -0.373
local terms energy: -295.146263
where:
bonds (distance) C4'-P energy: -48.877
bonds (distance) P-C4' energy: -64.571
flat angles C4'-P-C4' energy: -60.780
flat angles P-C4'-P energy: -40.502
tors. eta vs tors. theta energy: -80.417
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: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -835.456089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.456089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.456089 (E_RNA)
where:
Base-Base interactions energy: -594.048
where: short stacking energy: -247.027
Base-Backbone interact. energy: -0.224
local terms energy: -241.184601
where:
bonds (distance) C4'-P energy: -47.237
bonds (distance) P-C4' energy: -48.117
flat angles C4'-P-C4' energy: -47.019
flat angles P-C4'-P energy: -30.423
tors. eta vs tors. theta energy: -68.389
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: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -771.697992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.697992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.697992 (E_RNA)
where:
Base-Base interactions energy: -510.931
where: short stacking energy: -223.675
Base-Backbone interact. energy: -0.777
local terms energy: -259.990504
where:
bonds (distance) C4'-P energy: -54.055
bonds (distance) P-C4' energy: -58.853
flat angles C4'-P-C4' energy: -58.300
flat angles P-C4'-P energy: -32.393
tors. eta vs tors. theta energy: -56.391
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: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -689.333895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.333895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.333895 (E_RNA)
where:
Base-Base interactions energy: -449.003
where: short stacking energy: -205.088
Base-Backbone interact. energy: 1.190
local terms energy: -241.521028
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -54.578
flat angles P-C4'-P energy: -24.334
tors. eta vs tors. theta energy: -53.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -557.430738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.430738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.430738 (E_RNA)
where:
Base-Base interactions energy: -341.424
where: short stacking energy: -151.025
Base-Backbone interact. energy: 0.103
local terms energy: -216.110447
where:
bonds (distance) C4'-P energy: -49.244
bonds (distance) P-C4' energy: -57.314
flat angles C4'-P-C4' energy: -56.683
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -29.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -590.966866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.966866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.966866 (E_RNA)
where:
Base-Base interactions energy: -379.436
where: short stacking energy: -176.840
Base-Backbone interact. energy: 0.560
local terms energy: -212.090691
where:
bonds (distance) C4'-P energy: -39.306
bonds (distance) P-C4' energy: -50.783
flat angles C4'-P-C4' energy: -49.929
flat angles P-C4'-P energy: -39.666
tors. eta vs tors. theta energy: -32.405
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: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1058.583124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.583124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.583124 (E_RNA)
where:
Base-Base interactions energy: -731.543
where: short stacking energy: -321.297
Base-Backbone interact. energy: 0.024
local terms energy: -327.064101
where:
bonds (distance) C4'-P energy: -67.655
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -63.277
flat angles P-C4'-P energy: -44.461
tors. eta vs tors. theta energy: -95.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1040.520424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.520424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.520424 (E_RNA)
where:
Base-Base interactions energy: -712.883
where: short stacking energy: -323.075
Base-Backbone interact. energy: -0.031
local terms energy: -327.606975
where:
bonds (distance) C4'-P energy: -62.294
bonds (distance) P-C4' energy: -54.716
flat angles C4'-P-C4' energy: -65.165
flat angles P-C4'-P energy: -45.967
tors. eta vs tors. theta energy: -99.465
Dist. restrs. and SS energy: 0.000 (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: 343
Temperature: 1.000000
Total energy: -1034.256228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.256228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.256228 (E_RNA)
where:
Base-Base interactions energy: -728.930
where: short stacking energy: -320.742
Base-Backbone interact. energy: 0.457
local terms energy: -305.783447
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -50.942
flat angles C4'-P-C4' energy: -67.355
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -91.538
Dist. restrs. and SS energy: 0.000 (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: 343
Temperature: 1.050000
Total energy: -942.600904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.600904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.600904 (E_RNA)
where:
Base-Base interactions energy: -636.812
where: short stacking energy: -259.962
Base-Backbone interact. energy: -1.415
local terms energy: -304.374190
where:
bonds (distance) C4'-P energy: -55.651
bonds (distance) P-C4' energy: -60.154
flat angles C4'-P-C4' energy: -69.005
flat angles P-C4'-P energy: -42.811
tors. eta vs tors. theta energy: -76.752
Dist. restrs. and SS energy: 0.000 (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: 343
Temperature: 1.100000
Total energy: -876.006298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.006298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.006298 (E_RNA)
where:
Base-Base interactions energy: -604.122
where: short stacking energy: -258.773
Base-Backbone interact. energy: -0.592
local terms energy: -271.292394
where:
bonds (distance) C4'-P energy: -52.990
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -61.343
flat angles P-C4'-P energy: -33.722
tors. eta vs tors. theta energy: -70.231
Dist. restrs. and SS energy: 0.000 (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: 343
Temperature: 1.150000
Total energy: -859.678039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.678039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.678039 (E_RNA)
where:
Base-Base interactions energy: -579.436
where: short stacking energy: -258.003
Base-Backbone interact. energy: -0.679
local terms energy: -279.562992
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -61.002
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -74.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -752.094421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.094421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.094421 (E_RNA)
where:
Base-Base interactions energy: -511.046
where: short stacking energy: -215.558
Base-Backbone interact. energy: -2.840
local terms energy: -238.208032
where:
bonds (distance) C4'-P energy: -48.825
bonds (distance) P-C4' energy: -50.713
flat angles C4'-P-C4' energy: -56.610
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -55.900
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: 8, replica: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -721.681477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.681477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.681477 (E_RNA)
where:
Base-Base interactions energy: -477.955
where: short stacking energy: -197.125
Base-Backbone interact. energy: -0.404
local terms energy: -243.322116
where:
bonds (distance) C4'-P energy: -66.584
bonds (distance) P-C4' energy: -47.440
flat angles C4'-P-C4' energy: -51.774
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -47.013
Dist. restrs. and SS energy: 0.000 (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: 343
Temperature: 1.300000
Total energy: -556.707065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.707065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.707065 (E_RNA)
where:
Base-Base interactions energy: -338.302
where: short stacking energy: -143.970
Base-Backbone interact. energy: -1.365
local terms energy: -217.040501
where:
bonds (distance) C4'-P energy: -53.491
bonds (distance) P-C4' energy: -61.264
flat angles C4'-P-C4' energy: -49.975
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -592.909652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.909652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.909652 (E_RNA)
where:
Base-Base interactions energy: -380.573
where: short stacking energy: -169.908
Base-Backbone interact. energy: -0.868
local terms energy: -211.468609
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -52.399
flat angles C4'-P-C4' energy: -50.228
flat angles P-C4'-P energy: -31.000
tors. eta vs tors. theta energy: -28.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1059.238016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.238016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.238016 (E_RNA)
where:
Base-Base interactions energy: -726.490
where: short stacking energy: -319.538
Base-Backbone interact. energy: -2.275
local terms energy: -330.473139
where:
bonds (distance) C4'-P energy: -54.136
bonds (distance) P-C4' energy: -60.321
flat angles C4'-P-C4' energy: -69.320
flat angles P-C4'-P energy: -49.100
tors. eta vs tors. theta energy: -97.596
Dist. restrs. and SS energy: 0.000 (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: 344
Temperature: 0.950000
Total energy: -1037.565102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.565102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.565102 (E_RNA)
where:
Base-Base interactions energy: -703.686
where: short stacking energy: -320.077
Base-Backbone interact. energy: -0.362
local terms energy: -333.516763
where:
bonds (distance) C4'-P energy: -59.884
bonds (distance) P-C4' energy: -63.300
flat angles C4'-P-C4' energy: -68.394
flat angles P-C4'-P energy: -52.682
tors. eta vs tors. theta energy: -89.257
Dist. restrs. and SS energy: 0.000 (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: 344
Temperature: 1.000000
Total energy: -1021.301913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.301913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.301913 (E_RNA)
where:
Base-Base interactions energy: -706.773
where: short stacking energy: -306.867
Base-Backbone interact. energy: -0.474
local terms energy: -314.054447
where:
bonds (distance) C4'-P energy: -61.843
bonds (distance) P-C4' energy: -56.547
flat angles C4'-P-C4' energy: -65.113
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: -87.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -919.152335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.152335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.152335 (E_RNA)
where:
Base-Base interactions energy: -648.009
where: short stacking energy: -283.813
Base-Backbone interact. energy: -1.541
local terms energy: -269.601681
where:
bonds (distance) C4'-P energy: -49.869
bonds (distance) P-C4' energy: -56.620
flat angles C4'-P-C4' energy: -55.242
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -74.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -868.947584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.947584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.947584 (E_RNA)
where:
Base-Base interactions energy: -602.976
where: short stacking energy: -268.193
Base-Backbone interact. energy: -0.242
local terms energy: -265.729526
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -56.033
flat angles C4'-P-C4' energy: -50.188
flat angles P-C4'-P energy: -35.010
tors. eta vs tors. theta energy: -72.046
Dist. restrs. and SS energy: 0.000 (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: 344
Temperature: 1.150000
Total energy: -828.288589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.288589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.288589 (E_RNA)
where:
Base-Base interactions energy: -574.996
where: short stacking energy: -263.389
Base-Backbone interact. energy: -2.710
local terms energy: -250.581926
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -48.187
flat angles C4'-P-C4' energy: -62.553
flat angles P-C4'-P energy: -31.394
tors. eta vs tors. theta energy: -62.622
Dist. restrs. and SS energy: 0.000 (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: 344
Temperature: 1.200000
Total energy: -743.411349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.411349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.411349 (E_RNA)
where:
Base-Base interactions energy: -506.132
where: short stacking energy: -228.407
Base-Backbone interact. energy: -0.220
local terms energy: -237.059311
where:
bonds (distance) C4'-P energy: -47.750
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -55.279
flat angles P-C4'-P energy: -30.534
tors. eta vs tors. theta energy: -53.801
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: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -746.418008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.418008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.418008 (E_RNA)
where:
Base-Base interactions energy: -496.363
where: short stacking energy: -212.964
Base-Backbone interact. energy: 0.521
local terms energy: -250.575988
where:
bonds (distance) C4'-P energy: -54.403
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -61.814
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -51.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -641.024777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.024777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.024777 (E_RNA)
where:
Base-Base interactions energy: -420.059
where: short stacking energy: -207.233
Base-Backbone interact. energy: 2.299
local terms energy: -223.265434
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -59.588
flat angles P-C4'-P energy: -32.574
tors. eta vs tors. theta energy: -38.779
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: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -543.291408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.291408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.291408 (E_RNA)
where:
Base-Base interactions energy: -356.237
where: short stacking energy: -165.685
Base-Backbone interact. energy: -1.093
local terms energy: -185.961792
where:
bonds (distance) C4'-P energy: -38.560
bonds (distance) P-C4' energy: -48.386
flat angles C4'-P-C4' energy: -42.916
flat angles P-C4'-P energy: -28.246
tors. eta vs tors. theta energy: -27.853
Dist. restrs. and SS energy: 0.000 (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: 345
Temperature: 0.900000
Total energy: -1065.607051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.607051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.607051 (E_RNA)
where:
Base-Base interactions energy: -720.776
where: short stacking energy: -325.142
Base-Backbone interact. energy: -1.758
local terms energy: -343.073323
where:
bonds (distance) C4'-P energy: -57.492
bonds (distance) P-C4' energy: -68.861
flat angles C4'-P-C4' energy: -71.612
flat angles P-C4'-P energy: -50.002
tors. eta vs tors. theta energy: -95.106
Dist. restrs. and SS energy: 0.000 (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: 345
Temperature: 0.950000
Total energy: -1041.968292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.968292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.968292 (E_RNA)
where:
Base-Base interactions energy: -706.712
where: short stacking energy: -316.867
Base-Backbone interact. energy: -1.125
local terms energy: -334.131229
where:
bonds (distance) C4'-P energy: -58.721
bonds (distance) P-C4' energy: -66.291
flat angles C4'-P-C4' energy: -65.016
flat angles P-C4'-P energy: -48.718
tors. eta vs tors. theta energy: -95.384
Dist. restrs. and SS energy: 0.000 (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: 345
Temperature: 1.000000
Total energy: -1014.718062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.718062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.718062 (E_RNA)
where:
Base-Base interactions energy: -702.067
where: short stacking energy: -316.023
Base-Backbone interact. energy: -0.716
local terms energy: -311.934637
where:
bonds (distance) C4'-P energy: -54.622
bonds (distance) P-C4' energy: -56.768
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -92.536
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: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -962.475999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.475999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.475999 (E_RNA)
where:
Base-Base interactions energy: -681.449
where: short stacking energy: -280.336
Base-Backbone interact. energy: -2.719
local terms energy: -278.307774
where:
bonds (distance) C4'-P energy: -49.261
bonds (distance) P-C4' energy: -49.790
flat angles C4'-P-C4' energy: -62.916
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -79.170
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: 5, replica: 6
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -838.079130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.079130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.079130 (E_RNA)
where:
Base-Base interactions energy: -568.017
where: short stacking energy: -245.390
Base-Backbone interact. energy: -0.573
local terms energy: -269.489258
where:
bonds (distance) C4'-P energy: -54.069
bonds (distance) P-C4' energy: -57.222
flat angles C4'-P-C4' energy: -59.469
flat angles P-C4'-P energy: -43.945
tors. eta vs tors. theta energy: -54.785
Dist. restrs. and SS energy: 0.000 (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: 345
Temperature: 1.150000
Total energy: -846.610208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.610208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.610208 (E_RNA)
where:
Base-Base interactions energy: -590.452
where: short stacking energy: -241.380
Base-Backbone interact. energy: -1.316
local terms energy: -254.842195
where:
bonds (distance) C4'-P energy: -52.921
bonds (distance) P-C4' energy: -56.077
flat angles C4'-P-C4' energy: -49.382
flat angles P-C4'-P energy: -38.862
tors. eta vs tors. theta energy: -57.599
Dist. restrs. and SS energy: 0.000 (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: 345
Temperature: 1.200000
Total energy: -745.596480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.596480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.596480 (E_RNA)
where:
Base-Base interactions energy: -493.366
where: short stacking energy: -228.863
Base-Backbone interact. energy: 0.492
local terms energy: -252.722008
where:
bonds (distance) C4'-P energy: -53.445
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -55.494
flat angles P-C4'-P energy: -33.540
tors. eta vs tors. theta energy: -58.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -752.085874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.085874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.085874 (E_RNA)
where:
Base-Base interactions energy: -520.603
where: short stacking energy: -218.114
Base-Backbone interact. energy: -0.521
local terms energy: -230.961961
where:
bonds (distance) C4'-P energy: -52.456
bonds (distance) P-C4' energy: -31.652
flat angles C4'-P-C4' energy: -60.390
flat angles P-C4'-P energy: -33.452
tors. eta vs tors. theta energy: -53.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -614.872256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.872256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.872256 (E_RNA)
where:
Base-Base interactions energy: -396.435
where: short stacking energy: -165.198
Base-Backbone interact. energy: -0.133
local terms energy: -218.304666
where:
bonds (distance) C4'-P energy: -51.510
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -49.365
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: -32.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -519.341770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.341770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.341770 (E_RNA)
where:
Base-Base interactions energy: -315.565
where: short stacking energy: -135.586
Base-Backbone interact. energy: -1.092
local terms energy: -202.684340
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -45.452
flat angles C4'-P-C4' energy: -51.154
flat angles P-C4'-P energy: -31.820
tors. eta vs tors. theta energy: -20.062
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: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1068.487493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.487493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.487493 (E_RNA)
where:
Base-Base interactions energy: -741.683
where: short stacking energy: -328.433
Base-Backbone interact. energy: -0.681
local terms energy: -326.123224
where:
bonds (distance) C4'-P energy: -65.849
bonds (distance) P-C4' energy: -48.905
flat angles C4'-P-C4' energy: -73.640
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -94.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1049.532229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.532229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.532229 (E_RNA)
where:
Base-Base interactions energy: -716.908
where: short stacking energy: -304.999
Base-Backbone interact. energy: -1.801
local terms energy: -330.822931
where:
bonds (distance) C4'-P energy: -68.023
bonds (distance) P-C4' energy: -57.648
flat angles C4'-P-C4' energy: -68.727
flat angles P-C4'-P energy: -40.243
tors. eta vs tors. theta energy: -96.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -987.184473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.184473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.184473 (E_RNA)
where:
Base-Base interactions energy: -701.392
where: short stacking energy: -291.195
Base-Backbone interact. energy: 5.961
local terms energy: -291.754192
where:
bonds (distance) C4'-P energy: -52.145
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -63.953
flat angles P-C4'-P energy: -36.404
tors. eta vs tors. theta energy: -83.515
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: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -983.677684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.677684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.677684 (E_RNA)
where:
Base-Base interactions energy: -678.783
where: short stacking energy: -292.504
Base-Backbone interact. energy: -2.209
local terms energy: -302.684925
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -48.808
flat angles C4'-P-C4' energy: -69.439
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -83.586
Dist. restrs. and SS energy: 0.000 (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: 346
Temperature: 1.100000
Total energy: -891.341562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.341562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.341562 (E_RNA)
where:
Base-Base interactions energy: -613.254
where: short stacking energy: -261.890
Base-Backbone interact. energy: -0.926
local terms energy: -277.161084
where:
bonds (distance) C4'-P energy: -50.226
bonds (distance) P-C4' energy: -64.347
flat angles C4'-P-C4' energy: -50.102
flat angles P-C4'-P energy: -48.426
tors. eta vs tors. theta energy: -64.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -834.842574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.842574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.842574 (E_RNA)
where:
Base-Base interactions energy: -562.850
where: short stacking energy: -253.970
Base-Backbone interact. energy: 1.590
local terms energy: -273.582608
where:
bonds (distance) C4'-P energy: -51.772
bonds (distance) P-C4' energy: -60.275
flat angles C4'-P-C4' energy: -54.037
flat angles P-C4'-P energy: -42.634
tors. eta vs tors. theta energy: -64.865
Dist. restrs. and SS energy: 0.000 (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: 346
Temperature: 1.200000
Total energy: -739.391425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.391425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.391425 (E_RNA)
where:
Base-Base interactions energy: -478.326
where: short stacking energy: -224.213
Base-Backbone interact. energy: -1.543
local terms energy: -259.522381
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -60.052
flat angles C4'-P-C4' energy: -61.895
flat angles P-C4'-P energy: -36.427
tors. eta vs tors. theta energy: -56.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -747.378965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.378965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.378965 (E_RNA)
where:
Base-Base interactions energy: -508.465
where: short stacking energy: -215.281
Base-Backbone interact. energy: -1.798
local terms energy: -237.116154
where:
bonds (distance) C4'-P energy: -54.255
bonds (distance) P-C4' energy: -53.979
flat angles C4'-P-C4' energy: -52.314
flat angles P-C4'-P energy: -34.035
tors. eta vs tors. theta energy: -42.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -641.818232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.818232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.818232 (E_RNA)
where:
Base-Base interactions energy: -423.176
where: short stacking energy: -193.190
Base-Backbone interact. energy: 2.471
local terms energy: -221.113521
where:
bonds (distance) C4'-P energy: -53.456
bonds (distance) P-C4' energy: -48.446
flat angles C4'-P-C4' energy: -50.008
flat angles P-C4'-P energy: -24.639
tors. eta vs tors. theta energy: -44.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -521.828755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.828755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.828755 (E_RNA)
where:
Base-Base interactions energy: -338.122
where: short stacking energy: -149.408
Base-Backbone interact. energy: 3.156
local terms energy: -186.863031
where:
bonds (distance) C4'-P energy: -43.469
bonds (distance) P-C4' energy: -48.042
flat angles C4'-P-C4' energy: -48.262
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (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: 347
Temperature: 0.900000
Total energy: -1088.811821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.811821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.811821 (E_RNA)
where:
Base-Base interactions energy: -740.556
where: short stacking energy: -339.555
Base-Backbone interact. energy: -0.887
local terms energy: -347.368075
where:
bonds (distance) C4'-P energy: -63.758
bonds (distance) P-C4' energy: -60.711
flat angles C4'-P-C4' energy: -68.446
flat angles P-C4'-P energy: -51.973
tors. eta vs tors. theta energy: -102.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1047.625436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.625436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.625436 (E_RNA)
where:
Base-Base interactions energy: -728.775
where: short stacking energy: -305.419
Base-Backbone interact. energy: -1.018
local terms energy: -317.832493
where:
bonds (distance) C4'-P energy: -55.931
bonds (distance) P-C4' energy: -60.678
flat angles C4'-P-C4' energy: -67.312
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -94.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -986.840582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.840582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.840582 (E_RNA)
where:
Base-Base interactions energy: -691.683
where: short stacking energy: -288.693
Base-Backbone interact. energy: -0.814
local terms energy: -294.343824
where:
bonds (distance) C4'-P energy: -55.643
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -60.861
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -80.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -998.352599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.352599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.352599 (E_RNA)
where:
Base-Base interactions energy: -691.620
where: short stacking energy: -302.233
Base-Backbone interact. energy: -0.709
local terms energy: -306.023675
where:
bonds (distance) C4'-P energy: -57.761
bonds (distance) P-C4' energy: -46.579
flat angles C4'-P-C4' energy: -69.799
flat angles P-C4'-P energy: -40.960
tors. eta vs tors. theta energy: -90.925
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: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -898.069123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.069123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.069123 (E_RNA)
where:
Base-Base interactions energy: -610.558
where: short stacking energy: -260.924
Base-Backbone interact. energy: -0.458
local terms energy: -287.053297
where:
bonds (distance) C4'-P energy: -53.826
bonds (distance) P-C4' energy: -62.840
flat angles C4'-P-C4' energy: -58.526
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: -70.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -833.703932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.703932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.703932 (E_RNA)
where:
Base-Base interactions energy: -557.943
where: short stacking energy: -244.060
Base-Backbone interact. energy: -0.987
local terms energy: -274.773906
where:
bonds (distance) C4'-P energy: -61.368
bonds (distance) P-C4' energy: -55.605
flat angles C4'-P-C4' energy: -59.289
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -63.283
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: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -696.096872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.096872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.096872 (E_RNA)
where:
Base-Base interactions energy: -467.945
where: short stacking energy: -211.535
Base-Backbone interact. energy: -1.463
local terms energy: -226.689621
where:
bonds (distance) C4'-P energy: -57.399
bonds (distance) P-C4' energy: -38.790
flat angles C4'-P-C4' energy: -55.025
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -52.006
Dist. restrs. and SS energy: 0.000 (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: 347
Temperature: 1.250000
Total energy: -735.055128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.055128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.055128 (E_RNA)
where:
Base-Base interactions energy: -506.365
where: short stacking energy: -218.936
Base-Backbone interact. energy: 0.531
local terms energy: -229.221673
where:
bonds (distance) C4'-P energy: -46.354
bonds (distance) P-C4' energy: -54.271
flat angles C4'-P-C4' energy: -45.738
flat angles P-C4'-P energy: -41.073
tors. eta vs tors. theta energy: -41.786
Dist. restrs. and SS energy: 0.000 (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: 347
Temperature: 1.300000
Total energy: -628.639380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.639380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.639380 (E_RNA)
where:
Base-Base interactions energy: -404.651
where: short stacking energy: -199.976
Base-Backbone interact. energy: -0.194
local terms energy: -223.794476
where:
bonds (distance) C4'-P energy: -46.535
bonds (distance) P-C4' energy: -52.970
flat angles C4'-P-C4' energy: -53.678
flat angles P-C4'-P energy: -32.104
tors. eta vs tors. theta energy: -38.508
Dist. restrs. and SS energy: 0.000 (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: 347
Temperature: 1.350000
Total energy: -537.906422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.906422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.906422 (E_RNA)
where:
Base-Base interactions energy: -344.331
where: short stacking energy: -150.617
Base-Backbone interact. energy: -1.283
local terms energy: -192.292325
where:
bonds (distance) C4'-P energy: -27.925
bonds (distance) P-C4' energy: -51.680
flat angles C4'-P-C4' energy: -50.359
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -31.561
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: 1, replica: 10
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1069.640086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.640086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.640086 (E_RNA)
where:
Base-Base interactions energy: -737.107
where: short stacking energy: -339.222
Base-Backbone interact. energy: -1.881
local terms energy: -330.652224
where:
bonds (distance) C4'-P energy: -57.100
bonds (distance) P-C4' energy: -56.243
flat angles C4'-P-C4' energy: -66.416
flat angles P-C4'-P energy: -48.081
tors. eta vs tors. theta energy: -102.812
Dist. restrs. and SS energy: 0.000 (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: 348
Temperature: 0.950000
Total energy: -1051.206281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.206281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.206281 (E_RNA)
where:
Base-Base interactions energy: -718.267
where: short stacking energy: -325.653
Base-Backbone interact. energy: -1.628
local terms energy: -331.310620
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -65.446
flat angles C4'-P-C4' energy: -66.848
flat angles P-C4'-P energy: -41.495
tors. eta vs tors. theta energy: -98.132
Dist. restrs. and SS energy: 0.000 (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: 348
Temperature: 1.000000
Total energy: -1008.901605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.901605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.901605 (E_RNA)
where:
Base-Base interactions energy: -691.373
where: short stacking energy: -318.992
Base-Backbone interact. energy: 1.356
local terms energy: -318.884097
where:
bonds (distance) C4'-P energy: -53.325
bonds (distance) P-C4' energy: -57.856
flat angles C4'-P-C4' energy: -72.112
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -91.846
Dist. restrs. and SS energy: 0.000 (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: 348
Temperature: 1.050000
Total energy: -961.398177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.398177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.398177 (E_RNA)
where:
Base-Base interactions energy: -685.001
where: short stacking energy: -265.163
Base-Backbone interact. energy: -2.636
local terms energy: -273.761517
where:
bonds (distance) C4'-P energy: -48.605
bonds (distance) P-C4' energy: -55.812
flat angles C4'-P-C4' energy: -57.141
flat angles P-C4'-P energy: -43.702
tors. eta vs tors. theta energy: -68.502
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: 5, replica: 2
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -889.507228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.507228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.507228 (E_RNA)
where:
Base-Base interactions energy: -636.219
where: short stacking energy: -261.264
Base-Backbone interact. energy: -0.697
local terms energy: -252.591231
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -59.172
flat angles C4'-P-C4' energy: -49.881
flat angles P-C4'-P energy: -34.581
tors. eta vs tors. theta energy: -71.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -843.616334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.616334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.616334 (E_RNA)
where:
Base-Base interactions energy: -571.633
where: short stacking energy: -237.380
Base-Backbone interact. energy: -1.362
local terms energy: -270.621567
where:
bonds (distance) C4'-P energy: -54.246
bonds (distance) P-C4' energy: -50.533
flat angles C4'-P-C4' energy: -56.803
flat angles P-C4'-P energy: -38.611
tors. eta vs tors. theta energy: -70.427
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: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -751.003797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.003797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.003797 (E_RNA)
where:
Base-Base interactions energy: -498.338
where: short stacking energy: -216.248
Base-Backbone interact. energy: -0.450
local terms energy: -252.215901
where:
bonds (distance) C4'-P energy: -53.758
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -62.271
flat angles P-C4'-P energy: -42.238
tors. eta vs tors. theta energy: -41.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -676.494751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.494751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.494751 (E_RNA)
where:
Base-Base interactions energy: -460.873
where: short stacking energy: -205.006
Base-Backbone interact. energy: -0.335
local terms energy: -215.286532
where:
bonds (distance) C4'-P energy: -48.279
bonds (distance) P-C4' energy: -41.252
flat angles C4'-P-C4' energy: -46.029
flat angles P-C4'-P energy: -34.460
tors. eta vs tors. theta energy: -45.267
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: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -625.703350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.703350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.703350 (E_RNA)
where:
Base-Base interactions energy: -398.498
where: short stacking energy: -185.438
Base-Backbone interact. energy: -1.409
local terms energy: -225.796155
where:
bonds (distance) C4'-P energy: -51.533
bonds (distance) P-C4' energy: -53.699
flat angles C4'-P-C4' energy: -52.662
flat angles P-C4'-P energy: -37.603
tors. eta vs tors. theta energy: -30.299
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: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -529.109004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.109004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.109004 (E_RNA)
where:
Base-Base interactions energy: -320.129
where: short stacking energy: -140.829
Base-Backbone interact. energy: -2.210
local terms energy: -206.769922
where:
bonds (distance) C4'-P energy: -51.323
bonds (distance) P-C4' energy: -65.224
flat angles C4'-P-C4' energy: -45.926
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -22.363
Dist. restrs. and SS energy: 0.000 (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: 349
Temperature: 0.900000
Total energy: -1061.203632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.203632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.203632 (E_RNA)
where:
Base-Base interactions energy: -735.753
where: short stacking energy: -337.147
Base-Backbone interact. energy: -0.161
local terms energy: -325.290162
where:
bonds (distance) C4'-P energy: -56.459
bonds (distance) P-C4' energy: -62.205
flat angles C4'-P-C4' energy: -65.219
flat angles P-C4'-P energy: -44.894
tors. eta vs tors. theta energy: -96.513
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: 2, replica: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1032.891553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.891553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.891553 (E_RNA)
where:
Base-Base interactions energy: -710.295
where: short stacking energy: -323.020
Base-Backbone interact. energy: -0.113
local terms energy: -322.483733
where:
bonds (distance) C4'-P energy: -51.706
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -69.987
flat angles P-C4'-P energy: -48.932
tors. eta vs tors. theta energy: -103.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1013.559725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.559725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.559725 (E_RNA)
where:
Base-Base interactions energy: -698.620
where: short stacking energy: -328.692
Base-Backbone interact. energy: -1.629
local terms energy: -313.310618
where:
bonds (distance) C4'-P energy: -59.252
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -58.780
flat angles P-C4'-P energy: -42.388
tors. eta vs tors. theta energy: -99.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -942.401987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.401987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.401987 (E_RNA)
where:
Base-Base interactions energy: -662.384
where: short stacking energy: -280.493
Base-Backbone interact. energy: 0.724
local terms energy: -280.741652
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -60.366
flat angles C4'-P-C4' energy: -64.964
flat angles P-C4'-P energy: -36.858
tors. eta vs tors. theta energy: -71.475
Dist. restrs. and SS energy: 0.000 (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: 349
Temperature: 1.100000
Total energy: -919.506836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.506836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.506836 (E_RNA)
where:
Base-Base interactions energy: -632.846
where: short stacking energy: -265.022
Base-Backbone interact. energy: 1.695
local terms energy: -288.356057
where:
bonds (distance) C4'-P energy: -62.690
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -56.184
flat angles P-C4'-P energy: -39.315
tors. eta vs tors. theta energy: -76.706
Dist. restrs. and SS energy: 0.000 (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: 349
Temperature: 1.150000
Total energy: -846.703482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.703482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.703482 (E_RNA)
where:
Base-Base interactions energy: -569.606
where: short stacking energy: -262.780
Base-Backbone interact. energy: -0.153
local terms energy: -276.945150
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -54.804
flat angles C4'-P-C4' energy: -58.950
flat angles P-C4'-P energy: -40.127
tors. eta vs tors. theta energy: -71.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -805.576237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.576237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.576237 (E_RNA)
where:
Base-Base interactions energy: -540.052
where: short stacking energy: -247.317
Base-Backbone interact. energy: -2.089
local terms energy: -263.435664
where:
bonds (distance) C4'-P energy: -47.449
bonds (distance) P-C4' energy: -58.068
flat angles C4'-P-C4' energy: -59.109
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -65.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -657.841648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.841648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.841648 (E_RNA)
where:
Base-Base interactions energy: -426.141
where: short stacking energy: -189.440
Base-Backbone interact. energy: -0.954
local terms energy: -230.746260
where:
bonds (distance) C4'-P energy: -52.183
bonds (distance) P-C4' energy: -47.171
flat angles C4'-P-C4' energy: -53.951
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -40.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -677.846317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.846317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.846317 (E_RNA)
where:
Base-Base interactions energy: -452.163
where: short stacking energy: -193.924
Base-Backbone interact. energy: -0.659
local terms energy: -225.023857
where:
bonds (distance) C4'-P energy: -48.229
bonds (distance) P-C4' energy: -45.226
flat angles C4'-P-C4' energy: -49.957
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -54.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -516.241203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.241203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.241203 (E_RNA)
where:
Base-Base interactions energy: -337.577
where: short stacking energy: -143.388
Base-Backbone interact. energy: -0.542
local terms energy: -178.121969
where:
bonds (distance) C4'-P energy: -44.243
bonds (distance) P-C4' energy: -49.807
flat angles C4'-P-C4' energy: -38.276
flat angles P-C4'-P energy: -34.612
tors. eta vs tors. theta energy: -11.185
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: 1, replica: 10
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1075.382719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.382719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.382719 (E_RNA)
where:
Base-Base interactions energy: -734.951
where: short stacking energy: -329.240
Base-Backbone interact. energy: -0.253
local terms energy: -340.178542
where:
bonds (distance) C4'-P energy: -59.806
bonds (distance) P-C4' energy: -64.215
flat angles C4'-P-C4' energy: -73.130
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: -95.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1025.360643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.360643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.360643 (E_RNA)
where:
Base-Base interactions energy: -716.616
where: short stacking energy: -320.804
Base-Backbone interact. energy: 0.445
local terms energy: -309.189945
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -54.362
flat angles C4'-P-C4' energy: -65.704
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -92.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -986.461386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.461386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.461386 (E_RNA)
where:
Base-Base interactions energy: -676.332
where: short stacking energy: -303.033
Base-Backbone interact. energy: -2.983
local terms energy: -307.146168
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -49.501
flat angles C4'-P-C4' energy: -62.713
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -94.823
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: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -982.012968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.012968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.012968 (E_RNA)
where:
Base-Base interactions energy: -686.610
where: short stacking energy: -292.063
Base-Backbone interact. energy: 2.042
local terms energy: -297.444782
where:
bonds (distance) C4'-P energy: -63.599
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -62.836
flat angles P-C4'-P energy: -43.836
tors. eta vs tors. theta energy: -78.095
Dist. restrs. and SS energy: 0.000 (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: 350
Temperature: 1.100000
Total energy: -938.174678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.174678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.174678 (E_RNA)
where:
Base-Base interactions energy: -667.373
where: short stacking energy: -273.471
Base-Backbone interact. energy: -2.205
local terms energy: -268.597358
where:
bonds (distance) C4'-P energy: -49.916
bonds (distance) P-C4' energy: -60.554
flat angles C4'-P-C4' energy: -55.187
flat angles P-C4'-P energy: -29.991
tors. eta vs tors. theta energy: -72.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -859.915736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.915736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.915736 (E_RNA)
where:
Base-Base interactions energy: -598.737
where: short stacking energy: -266.080
Base-Backbone interact. energy: -2.088
local terms energy: -259.091253
where:
bonds (distance) C4'-P energy: -48.175
bonds (distance) P-C4' energy: -48.335
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -69.389
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: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -651.504495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.504495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.504495 (E_RNA)
where:
Base-Base interactions energy: -425.987
where: short stacking energy: -187.537
Base-Backbone interact. energy: 0.558
local terms energy: -226.076001
where:
bonds (distance) C4'-P energy: -46.355
bonds (distance) P-C4' energy: -53.269
flat angles C4'-P-C4' energy: -58.668
flat angles P-C4'-P energy: -34.485
tors. eta vs tors. theta energy: -33.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -732.346305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.346305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.346305 (E_RNA)
where:
Base-Base interactions energy: -489.766
where: short stacking energy: -195.807
Base-Backbone interact. energy: -0.195
local terms energy: -242.385460
where:
bonds (distance) C4'-P energy: -45.165
bonds (distance) P-C4' energy: -56.296
flat angles C4'-P-C4' energy: -61.472
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -37.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -668.692866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.692866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.692866 (E_RNA)
where:
Base-Base interactions energy: -433.102
where: short stacking energy: -197.366
Base-Backbone interact. energy: -2.129
local terms energy: -233.461942
where:
bonds (distance) C4'-P energy: -46.347
bonds (distance) P-C4' energy: -46.495
flat angles C4'-P-C4' energy: -58.119
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -47.797
Dist. restrs. and SS energy: 0.000 (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: 350
Temperature: 1.350000
Total energy: -489.265824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.265824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.265824 (E_RNA)
where:
Base-Base interactions energy: -318.605
where: short stacking energy: -174.490
Base-Backbone interact. energy: -1.556
local terms energy: -169.104966
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -27.668
flat angles C4'-P-C4' energy: -52.330
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -19.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1065.918435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.918435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.918435 (E_RNA)
where:
Base-Base interactions energy: -731.165
where: short stacking energy: -324.001
Base-Backbone interact. energy: -0.904
local terms energy: -333.849238
where:
bonds (distance) C4'-P energy: -61.767
bonds (distance) P-C4' energy: -60.460
flat angles C4'-P-C4' energy: -70.212
flat angles P-C4'-P energy: -46.962
tors. eta vs tors. theta energy: -94.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1020.596789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.596789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.596789 (E_RNA)
where:
Base-Base interactions energy: -695.143
where: short stacking energy: -313.405
Base-Backbone interact. energy: 0.064
local terms energy: -325.517800
where:
bonds (distance) C4'-P energy: -61.356
bonds (distance) P-C4' energy: -57.275
flat angles C4'-P-C4' energy: -68.230
flat angles P-C4'-P energy: -46.626
tors. eta vs tors. theta energy: -92.031
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: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -992.205309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.205309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.205309 (E_RNA)
where:
Base-Base interactions energy: -672.592
where: short stacking energy: -290.306
Base-Backbone interact. energy: 0.263
local terms energy: -319.875721
where:
bonds (distance) C4'-P energy: -56.246
bonds (distance) P-C4' energy: -56.402
flat angles C4'-P-C4' energy: -66.048
flat angles P-C4'-P energy: -48.537
tors. eta vs tors. theta energy: -92.643
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: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -977.114782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.114782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.114782 (E_RNA)
where:
Base-Base interactions energy: -672.823
where: short stacking energy: -283.633
Base-Backbone interact. energy: -1.701
local terms energy: -302.591193
where:
bonds (distance) C4'-P energy: -58.556
bonds (distance) P-C4' energy: -54.677
flat angles C4'-P-C4' energy: -68.237
flat angles P-C4'-P energy: -41.425
tors. eta vs tors. theta energy: -79.697
Dist. restrs. and SS energy: 0.000 (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: 351
Temperature: 1.100000
Total energy: -947.186526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.186526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.186526 (E_RNA)
where:
Base-Base interactions energy: -677.932
where: short stacking energy: -293.925
Base-Backbone interact. energy: 2.096
local terms energy: -271.349861
where:
bonds (distance) C4'-P energy: -52.669
bonds (distance) P-C4' energy: -49.410
flat angles C4'-P-C4' energy: -61.263
flat angles P-C4'-P energy: -32.445
tors. eta vs tors. theta energy: -75.563
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: 6, replica: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -844.312341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.312341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.312341 (E_RNA)
where:
Base-Base interactions energy: -578.901
where: short stacking energy: -258.301
Base-Backbone interact. energy: 1.070
local terms energy: -266.480527
where:
bonds (distance) C4'-P energy: -38.648
bonds (distance) P-C4' energy: -65.661
flat angles C4'-P-C4' energy: -61.740
flat angles P-C4'-P energy: -38.564
tors. eta vs tors. theta energy: -61.867
Dist. restrs. and SS energy: 0.000 (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: 351
Temperature: 1.200000
Total energy: -682.429616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.429616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.429616 (E_RNA)
where:
Base-Base interactions energy: -450.018
where: short stacking energy: -178.693
Base-Backbone interact. energy: -0.243
local terms energy: -232.168832
where:
bonds (distance) C4'-P energy: -48.293
bonds (distance) P-C4' energy: -57.583
flat angles C4'-P-C4' energy: -55.029
flat angles P-C4'-P energy: -37.510
tors. eta vs tors. theta energy: -33.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -741.353429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.353429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.353429 (E_RNA)
where:
Base-Base interactions energy: -498.312
where: short stacking energy: -204.114
Base-Backbone interact. energy: 1.081
local terms energy: -244.122532
where:
bonds (distance) C4'-P energy: -47.702
bonds (distance) P-C4' energy: -49.243
flat angles C4'-P-C4' energy: -59.024
flat angles P-C4'-P energy: -35.671
tors. eta vs tors. theta energy: -52.483
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: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -685.089854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.089854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.089854 (E_RNA)
where:
Base-Base interactions energy: -462.082
where: short stacking energy: -196.102
Base-Backbone interact. energy: 1.759
local terms energy: -224.766228
where:
bonds (distance) C4'-P energy: -38.831
bonds (distance) P-C4' energy: -52.140
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -36.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -408.953183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.953183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.953183 (E_RNA)
where:
Base-Base interactions energy: -208.572
where: short stacking energy: -124.653
Base-Backbone interact. energy: -1.490
local terms energy: -198.891772
where:
bonds (distance) C4'-P energy: -51.169
bonds (distance) P-C4' energy: -56.381
flat angles C4'-P-C4' energy: -51.811
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (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: 352
Temperature: 0.900000
Total energy: -1043.937067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.937067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.937067 (E_RNA)
where:
Base-Base interactions energy: -711.956
where: short stacking energy: -327.068
Base-Backbone interact. energy: 0.362
local terms energy: -332.342854
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -61.053
flat angles C4'-P-C4' energy: -66.394
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: -96.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1061.738352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.738352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.738352 (E_RNA)
where:
Base-Base interactions energy: -731.942
where: short stacking energy: -312.304
Base-Backbone interact. energy: -0.530
local terms energy: -329.266220
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -67.469
flat angles C4'-P-C4' energy: -65.412
flat angles P-C4'-P energy: -48.208
tors. eta vs tors. theta energy: -93.864
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: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1016.872306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.872306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.872306 (E_RNA)
where:
Base-Base interactions energy: -698.151
where: short stacking energy: -307.057
Base-Backbone interact. energy: -0.292
local terms energy: -318.428889
where:
bonds (distance) C4'-P energy: -60.388
bonds (distance) P-C4' energy: -59.439
flat angles C4'-P-C4' energy: -63.423
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -92.854
Dist. restrs. and SS energy: 0.000 (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: 352
Temperature: 1.050000
Total energy: -967.619276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.619276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.619276 (E_RNA)
where:
Base-Base interactions energy: -663.266
where: short stacking energy: -280.661
Base-Backbone interact. energy: -2.290
local terms energy: -302.063044
where:
bonds (distance) C4'-P energy: -56.217
bonds (distance) P-C4' energy: -53.572
flat angles C4'-P-C4' energy: -57.986
flat angles P-C4'-P energy: -52.744
tors. eta vs tors. theta energy: -81.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -946.177977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.177977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.177977 (E_RNA)
where:
Base-Base interactions energy: -652.892
where: short stacking energy: -268.379
Base-Backbone interact. energy: 2.347
local terms energy: -295.633000
where:
bonds (distance) C4'-P energy: -52.413
bonds (distance) P-C4' energy: -57.681
flat angles C4'-P-C4' energy: -63.962
flat angles P-C4'-P energy: -46.468
tors. eta vs tors. theta energy: -75.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -834.646612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.646612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.646612 (E_RNA)
where:
Base-Base interactions energy: -562.342
where: short stacking energy: -235.392
Base-Backbone interact. energy: -2.698
local terms energy: -269.606794
where:
bonds (distance) C4'-P energy: -50.846
bonds (distance) P-C4' energy: -55.963
flat angles C4'-P-C4' energy: -56.946
flat angles P-C4'-P energy: -43.628
tors. eta vs tors. theta energy: -62.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -754.221461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.221461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.221461 (E_RNA)
where:
Base-Base interactions energy: -515.983
where: short stacking energy: -216.465
Base-Backbone interact. energy: -1.189
local terms energy: -237.048847
where:
bonds (distance) C4'-P energy: -56.034
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -56.806
flat angles P-C4'-P energy: -29.176
tors. eta vs tors. theta energy: -47.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -667.869141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.869141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.869141 (E_RNA)
where:
Base-Base interactions energy: -432.228
where: short stacking energy: -205.773
Base-Backbone interact. energy: 0.987
local terms energy: -236.628150
where:
bonds (distance) C4'-P energy: -47.072
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -42.397
flat angles P-C4'-P energy: -35.940
tors. eta vs tors. theta energy: -55.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -703.516562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.516562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.516562 (E_RNA)
where:
Base-Base interactions energy: -455.708
where: short stacking energy: -205.389
Base-Backbone interact. energy: -0.823
local terms energy: -246.986080
where:
bonds (distance) C4'-P energy: -53.770
bonds (distance) P-C4' energy: -46.050
flat angles C4'-P-C4' energy: -59.463
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -58.404
Dist. restrs. and SS energy: 0.000 (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: 352
Temperature: 1.350000
Total energy: -360.873257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.873257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.873257 (E_RNA)
where:
Base-Base interactions energy: -191.627
where: short stacking energy: -93.843
Base-Backbone interact. energy: -0.654
local terms energy: -168.591594
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -50.495
flat angles C4'-P-C4' energy: -44.643
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1068.845795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.845795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.845795 (E_RNA)
where:
Base-Base interactions energy: -724.025
where: short stacking energy: -313.060
Base-Backbone interact. energy: -0.275
local terms energy: -344.545811
where:
bonds (distance) C4'-P energy: -65.362
bonds (distance) P-C4' energy: -66.115
flat angles C4'-P-C4' energy: -77.465
flat angles P-C4'-P energy: -47.905
tors. eta vs tors. theta energy: -87.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1059.986054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.986054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.986054 (E_RNA)
where:
Base-Base interactions energy: -735.963
where: short stacking energy: -316.428
Base-Backbone interact. energy: 1.292
local terms energy: -325.315247
where:
bonds (distance) C4'-P energy: -62.191
bonds (distance) P-C4' energy: -58.716
flat angles C4'-P-C4' energy: -67.033
flat angles P-C4'-P energy: -46.026
tors. eta vs tors. theta energy: -91.349
Dist. restrs. and SS energy: 0.000 (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: 353
Temperature: 1.000000
Total energy: -1041.777843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.777843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.777843 (E_RNA)
where:
Base-Base interactions energy: -738.922
where: short stacking energy: -325.532
Base-Backbone interact. energy: 0.234
local terms energy: -303.090075
where:
bonds (distance) C4'-P energy: -50.920
bonds (distance) P-C4' energy: -39.180
flat angles C4'-P-C4' energy: -66.129
flat angles P-C4'-P energy: -49.808
tors. eta vs tors. theta energy: -97.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -975.142398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.142398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.142398 (E_RNA)
where:
Base-Base interactions energy: -671.780
where: short stacking energy: -286.174
Base-Backbone interact. energy: 1.389
local terms energy: -304.751705
where:
bonds (distance) C4'-P energy: -44.148
bonds (distance) P-C4' energy: -66.472
flat angles C4'-P-C4' energy: -69.638
flat angles P-C4'-P energy: -49.457
tors. eta vs tors. theta energy: -75.037
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: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -931.262387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.262387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.262387 (E_RNA)
where:
Base-Base interactions energy: -639.663
where: short stacking energy: -261.849
Base-Backbone interact. energy: -2.284
local terms energy: -289.315772
where:
bonds (distance) C4'-P energy: -46.317
bonds (distance) P-C4' energy: -56.785
flat angles C4'-P-C4' energy: -69.923
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -65.597
Dist. restrs. and SS energy: 0.000 (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: 353
Temperature: 1.150000
Total energy: -839.651388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.651388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.651388 (E_RNA)
where:
Base-Base interactions energy: -578.118
where: short stacking energy: -242.643
Base-Backbone interact. energy: -1.349
local terms energy: -260.184637
where:
bonds (distance) C4'-P energy: -43.895
bonds (distance) P-C4' energy: -63.165
flat angles C4'-P-C4' energy: -58.630
flat angles P-C4'-P energy: -40.515
tors. eta vs tors. theta energy: -53.979
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: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -721.655981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.655981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.655981 (E_RNA)
where:
Base-Base interactions energy: -480.213
where: short stacking energy: -220.175
Base-Backbone interact. energy: 1.038
local terms energy: -242.480264
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -46.524
flat angles C4'-P-C4' energy: -52.293
flat angles P-C4'-P energy: -43.516
tors. eta vs tors. theta energy: -47.113
Dist. restrs. and SS energy: 0.000 (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: 353
Temperature: 1.250000
Total energy: -739.147983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.147983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.147983 (E_RNA)
where:
Base-Base interactions energy: -495.713
where: short stacking energy: -232.678
Base-Backbone interact. energy: -2.030
local terms energy: -241.405300
where:
bonds (distance) C4'-P energy: -46.247
bonds (distance) P-C4' energy: -49.511
flat angles C4'-P-C4' energy: -58.856
flat angles P-C4'-P energy: -25.655
tors. eta vs tors. theta energy: -61.137
Dist. restrs. and SS energy: 0.000 (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: 353
Temperature: 1.300000
Total energy: -670.007763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.007763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.007763 (E_RNA)
where:
Base-Base interactions energy: -439.086
where: short stacking energy: -187.865
Base-Backbone interact. energy: -0.638
local terms energy: -230.284437
where:
bonds (distance) C4'-P energy: -45.572
bonds (distance) P-C4' energy: -46.940
flat angles C4'-P-C4' energy: -58.362
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -48.247
Dist. restrs. and SS energy: 0.000 (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: 353
Temperature: 1.350000
Total energy: -447.421217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.421217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.421217 (E_RNA)
where:
Base-Base interactions energy: -248.611
where: short stacking energy: -109.504
Base-Backbone interact. energy: 1.840
local terms energy: -200.650227
where:
bonds (distance) C4'-P energy: -57.168
bonds (distance) P-C4' energy: -61.947
flat angles C4'-P-C4' energy: -55.728
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: 2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1080.803294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.803294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.803294 (E_RNA)
where:
Base-Base interactions energy: -760.172
where: short stacking energy: -337.007
Base-Backbone interact. energy: -0.533
local terms energy: -320.098528
where:
bonds (distance) C4'-P energy: -57.429
bonds (distance) P-C4' energy: -62.207
flat angles C4'-P-C4' energy: -68.499
flat angles P-C4'-P energy: -38.742
tors. eta vs tors. theta energy: -93.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1048.415739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.415739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.415739 (E_RNA)
where:
Base-Base interactions energy: -724.050
where: short stacking energy: -327.530
Base-Backbone interact. energy: -0.664
local terms energy: -323.701479
where:
bonds (distance) C4'-P energy: -57.572
bonds (distance) P-C4' energy: -51.807
flat angles C4'-P-C4' energy: -65.753
flat angles P-C4'-P energy: -48.858
tors. eta vs tors. theta energy: -99.712
Dist. restrs. and SS energy: 0.000 (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: 354
Temperature: 1.000000
Total energy: -1035.679370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.679370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.679370 (E_RNA)
where:
Base-Base interactions energy: -718.681
where: short stacking energy: -324.193
Base-Backbone interact. energy: -0.801
local terms energy: -316.197972
where:
bonds (distance) C4'-P energy: -58.896
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -43.701
tors. eta vs tors. theta energy: -98.898
Dist. restrs. and SS energy: 0.000 (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: 354
Temperature: 1.050000
Total energy: -981.093100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.093100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.093100 (E_RNA)
where:
Base-Base interactions energy: -666.070
where: short stacking energy: -286.013
Base-Backbone interact. energy: -1.885
local terms energy: -313.138807
where:
bonds (distance) C4'-P energy: -51.933
bonds (distance) P-C4' energy: -65.604
flat angles C4'-P-C4' energy: -68.380
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -82.382
Dist. restrs. and SS energy: 0.000 (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: 354
Temperature: 1.100000
Total energy: -928.364372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.364372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.364372 (E_RNA)
where:
Base-Base interactions energy: -650.131
where: short stacking energy: -286.751
Base-Backbone interact. energy: -2.479
local terms energy: -275.754234
where:
bonds (distance) C4'-P energy: -42.746
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -60.894
flat angles P-C4'-P energy: -47.651
tors. eta vs tors. theta energy: -75.031
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: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -866.648277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.648277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.648277 (E_RNA)
where:
Base-Base interactions energy: -612.160
where: short stacking energy: -271.753
Base-Backbone interact. energy: -3.441
local terms energy: -251.046774
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -56.348
flat angles C4'-P-C4' energy: -58.151
flat angles P-C4'-P energy: -29.611
tors. eta vs tors. theta energy: -69.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -747.130275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.130275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.130275 (E_RNA)
where:
Base-Base interactions energy: -494.489
where: short stacking energy: -204.346
Base-Backbone interact. energy: -1.228
local terms energy: -251.412580
where:
bonds (distance) C4'-P energy: -55.554
bonds (distance) P-C4' energy: -57.348
flat angles C4'-P-C4' energy: -54.784
flat angles P-C4'-P energy: -38.557
tors. eta vs tors. theta energy: -45.170
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: 8, replica: 3
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -682.429079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.429079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.429079 (E_RNA)
where:
Base-Base interactions energy: -465.028
where: short stacking energy: -212.358
Base-Backbone interact. energy: 6.910
local terms energy: -224.310970
where:
bonds (distance) C4'-P energy: -44.930
bonds (distance) P-C4' energy: -54.556
flat angles C4'-P-C4' energy: -40.833
flat angles P-C4'-P energy: -31.206
tors. eta vs tors. theta energy: -52.785
Dist. restrs. and SS energy: 0.000 (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: 354
Temperature: 1.300000
Total energy: -633.754525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.754525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.754525 (E_RNA)
where:
Base-Base interactions energy: -425.079
where: short stacking energy: -195.657
Base-Backbone interact. energy: 1.458
local terms energy: -210.133744
where:
bonds (distance) C4'-P energy: -46.475
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -35.966
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -42.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -445.529328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.529328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.529328 (E_RNA)
where:
Base-Base interactions energy: -259.653
where: short stacking energy: -124.088
Base-Backbone interact. energy: -0.298
local terms energy: -185.577890
where:
bonds (distance) C4'-P energy: -49.667
bonds (distance) P-C4' energy: -60.444
flat angles C4'-P-C4' energy: -36.054
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -10.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1079.302741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.302741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.302741 (E_RNA)
where:
Base-Base interactions energy: -740.060
where: short stacking energy: -323.881
Base-Backbone interact. energy: -0.545
local terms energy: -338.698139
where:
bonds (distance) C4'-P energy: -55.647
bonds (distance) P-C4' energy: -67.612
flat angles C4'-P-C4' energy: -68.149
flat angles P-C4'-P energy: -51.681
tors. eta vs tors. theta energy: -95.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1048.692745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.692745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.692745 (E_RNA)
where:
Base-Base interactions energy: -717.060
where: short stacking energy: -314.097
Base-Backbone interact. energy: -0.731
local terms energy: -330.901013
where:
bonds (distance) C4'-P energy: -60.816
bonds (distance) P-C4' energy: -59.721
flat angles C4'-P-C4' energy: -68.158
flat angles P-C4'-P energy: -51.296
tors. eta vs tors. theta energy: -90.910
Dist. restrs. and SS energy: 0.000 (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: 355
Temperature: 1.000000
Total energy: -1050.101287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.101287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.101287 (E_RNA)
where:
Base-Base interactions energy: -720.971
where: short stacking energy: -334.360
Base-Backbone interact. energy: -0.006
local terms energy: -329.124234
where:
bonds (distance) C4'-P energy: -56.140
bonds (distance) P-C4' energy: -62.321
flat angles C4'-P-C4' energy: -68.974
flat angles P-C4'-P energy: -42.392
tors. eta vs tors. theta energy: -99.296
Dist. restrs. and SS energy: 0.000 (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: 355
Temperature: 1.050000
Total energy: -980.787401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.787401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.787401 (E_RNA)
where:
Base-Base interactions energy: -701.634
where: short stacking energy: -288.573
Base-Backbone interact. energy: 1.039
local terms energy: -280.192412
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -54.921
flat angles C4'-P-C4' energy: -56.645
flat angles P-C4'-P energy: -37.780
tors. eta vs tors. theta energy: -81.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -921.406130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.406130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.406130 (E_RNA)
where:
Base-Base interactions energy: -640.880
where: short stacking energy: -273.257
Base-Backbone interact. energy: -0.835
local terms energy: -279.690884
where:
bonds (distance) C4'-P energy: -49.768
bonds (distance) P-C4' energy: -47.164
flat angles C4'-P-C4' energy: -69.754
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -69.944
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: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -892.833240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.833240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.833240 (E_RNA)
where:
Base-Base interactions energy: -638.182
where: short stacking energy: -270.014
Base-Backbone interact. energy: -0.156
local terms energy: -254.494870
where:
bonds (distance) C4'-P energy: -44.186
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -51.258
flat angles P-C4'-P energy: -42.462
tors. eta vs tors. theta energy: -61.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -721.285408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.285408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.285408 (E_RNA)
where:
Base-Base interactions energy: -480.576
where: short stacking energy: -211.210
Base-Backbone interact. energy: 4.509
local terms energy: -245.218179
where:
bonds (distance) C4'-P energy: -55.080
bonds (distance) P-C4' energy: -62.586
flat angles C4'-P-C4' energy: -56.125
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -43.306
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: 8, replica: 3
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -700.011690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.011690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.011690 (E_RNA)
where:
Base-Base interactions energy: -459.762
where: short stacking energy: -198.016
Base-Backbone interact. energy: -0.336
local terms energy: -239.913488
where:
bonds (distance) C4'-P energy: -48.951
bonds (distance) P-C4' energy: -57.481
flat angles C4'-P-C4' energy: -53.319
flat angles P-C4'-P energy: -37.422
tors. eta vs tors. theta energy: -42.740
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: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -619.265239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.265239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.265239 (E_RNA)
where:
Base-Base interactions energy: -398.000
where: short stacking energy: -157.491
Base-Backbone interact. energy: -2.244
local terms energy: -219.020654
where:
bonds (distance) C4'-P energy: -48.335
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -55.427
flat angles P-C4'-P energy: -30.589
tors. eta vs tors. theta energy: -34.049
Dist. restrs. and SS energy: 0.000 (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: 355
Temperature: 1.350000
Total energy: -448.408558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.408558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.408558 (E_RNA)
where:
Base-Base interactions energy: -264.800
where: short stacking energy: -138.605
Base-Backbone interact. energy: 5.119
local terms energy: -188.727329
where:
bonds (distance) C4'-P energy: -44.808
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -46.514
flat angles P-C4'-P energy: -35.123
tors. eta vs tors. theta energy: -18.631
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: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1081.503927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.503927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.503927 (E_RNA)
where:
Base-Base interactions energy: -748.411
where: short stacking energy: -332.325
Base-Backbone interact. energy: -3.624
local terms energy: -329.468825
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -65.565
flat angles C4'-P-C4' energy: -63.411
flat angles P-C4'-P energy: -53.709
tors. eta vs tors. theta energy: -94.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1037.357409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.357409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.357409 (E_RNA)
where:
Base-Base interactions energy: -714.786
where: short stacking energy: -314.827
Base-Backbone interact. energy: -0.773
local terms energy: -321.798667
where:
bonds (distance) C4'-P energy: -55.151
bonds (distance) P-C4' energy: -54.192
flat angles C4'-P-C4' energy: -76.206
flat angles P-C4'-P energy: -46.469
tors. eta vs tors. theta energy: -89.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1012.053936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.053936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.053936 (E_RNA)
where:
Base-Base interactions energy: -694.699
where: short stacking energy: -313.698
Base-Backbone interact. energy: -0.526
local terms energy: -316.828568
where:
bonds (distance) C4'-P energy: -63.177
bonds (distance) P-C4' energy: -53.349
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -42.773
tors. eta vs tors. theta energy: -94.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -961.996113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.996113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.996113 (E_RNA)
where:
Base-Base interactions energy: -679.412
where: short stacking energy: -281.674
Base-Backbone interact. energy: -1.968
local terms energy: -280.615308
where:
bonds (distance) C4'-P energy: -57.072
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -56.377
flat angles P-C4'-P energy: -36.757
tors. eta vs tors. theta energy: -77.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -863.374585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.374585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.374585 (E_RNA)
where:
Base-Base interactions energy: -613.946
where: short stacking energy: -256.077
Base-Backbone interact. energy: -0.562
local terms energy: -248.867239
where:
bonds (distance) C4'-P energy: -52.415
bonds (distance) P-C4' energy: -44.203
flat angles C4'-P-C4' energy: -57.960
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -59.671
Dist. restrs. and SS energy: 0.000 (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: 356
Temperature: 1.150000
Total energy: -891.601569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.601569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.601569 (E_RNA)
where:
Base-Base interactions energy: -613.558
where: short stacking energy: -255.144
Base-Backbone interact. energy: 1.654
local terms energy: -279.697307
where:
bonds (distance) C4'-P energy: -43.324
bonds (distance) P-C4' energy: -54.661
flat angles C4'-P-C4' energy: -66.795
flat angles P-C4'-P energy: -42.330
tors. eta vs tors. theta energy: -72.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -700.987682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.987682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.987682 (E_RNA)
where:
Base-Base interactions energy: -458.101
where: short stacking energy: -215.327
Base-Backbone interact. energy: -0.964
local terms energy: -241.922831
where:
bonds (distance) C4'-P energy: -54.241
bonds (distance) P-C4' energy: -46.738
flat angles C4'-P-C4' energy: -52.523
flat angles P-C4'-P energy: -37.246
tors. eta vs tors. theta energy: -51.175
Dist. restrs. and SS energy: 0.000 (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: 356
Temperature: 1.250000
Total energy: -698.326422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.326422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.326422 (E_RNA)
where:
Base-Base interactions energy: -462.762
where: short stacking energy: -207.238
Base-Backbone interact. energy: -0.660
local terms energy: -234.904743
where:
bonds (distance) C4'-P energy: -52.557
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -62.146
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: -45.899
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: 9, replica: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -614.511858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.511858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.511858 (E_RNA)
where:
Base-Base interactions energy: -399.105
where: short stacking energy: -166.886
Base-Backbone interact. energy: -0.851
local terms energy: -214.555605
where:
bonds (distance) C4'-P energy: -44.649
bonds (distance) P-C4' energy: -55.837
flat angles C4'-P-C4' energy: -41.966
flat angles P-C4'-P energy: -34.334
tors. eta vs tors. theta energy: -37.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -428.737028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.737028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.737028 (E_RNA)
where:
Base-Base interactions energy: -252.417
where: short stacking energy: -113.461
Base-Backbone interact. energy: -1.922
local terms energy: -174.397872
where:
bonds (distance) C4'-P energy: -35.767
bonds (distance) P-C4' energy: -58.817
flat angles C4'-P-C4' energy: -48.514
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: 0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1087.908557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.908557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.908557 (E_RNA)
where:
Base-Base interactions energy: -741.784
where: short stacking energy: -334.183
Base-Backbone interact. energy: -1.817
local terms energy: -344.308054
where:
bonds (distance) C4'-P energy: -61.688
bonds (distance) P-C4' energy: -61.498
flat angles C4'-P-C4' energy: -70.230
flat angles P-C4'-P energy: -52.490
tors. eta vs tors. theta energy: -98.402
Dist. restrs. and SS energy: 0.000 (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: 357
Temperature: 0.950000
Total energy: -1024.788190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.788190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.788190 (E_RNA)
where:
Base-Base interactions energy: -710.314
where: short stacking energy: -318.131
Base-Backbone interact. energy: -0.134
local terms energy: -314.340300
where:
bonds (distance) C4'-P energy: -54.776
bonds (distance) P-C4' energy: -62.461
flat angles C4'-P-C4' energy: -65.945
flat angles P-C4'-P energy: -40.904
tors. eta vs tors. theta energy: -90.253
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: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1012.859802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.859802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.859802 (E_RNA)
where:
Base-Base interactions energy: -700.894
where: short stacking energy: -320.505
Base-Backbone interact. energy: -0.836
local terms energy: -311.129092
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -54.486
flat angles C4'-P-C4' energy: -69.734
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -94.803
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: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -984.215828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.215828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.215828 (E_RNA)
where:
Base-Base interactions energy: -678.412
where: short stacking energy: -293.408
Base-Backbone interact. energy: 0.849
local terms energy: -306.652679
where:
bonds (distance) C4'-P energy: -59.496
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -67.487
flat angles P-C4'-P energy: -37.472
tors. eta vs tors. theta energy: -80.799
Dist. restrs. and SS energy: 0.000 (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: 357
Temperature: 1.100000
Total energy: -874.992297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.992297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.992297 (E_RNA)
where:
Base-Base interactions energy: -586.708
where: short stacking energy: -254.658
Base-Backbone interact. energy: -1.540
local terms energy: -286.745162
where:
bonds (distance) C4'-P energy: -61.403
bonds (distance) P-C4' energy: -59.773
flat angles C4'-P-C4' energy: -53.663
flat angles P-C4'-P energy: -39.376
tors. eta vs tors. theta energy: -72.530
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: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -893.639135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.639135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.639135 (E_RNA)
where:
Base-Base interactions energy: -620.781
where: short stacking energy: -256.627
Base-Backbone interact. energy: -1.589
local terms energy: -271.268826
where:
bonds (distance) C4'-P energy: -47.518
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -65.936
flat angles P-C4'-P energy: -37.751
tors. eta vs tors. theta energy: -65.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -717.295395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.295395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.295395 (E_RNA)
where:
Base-Base interactions energy: -474.247
where: short stacking energy: -212.638
Base-Backbone interact. energy: -0.360
local terms energy: -242.689119
where:
bonds (distance) C4'-P energy: -44.093
bonds (distance) P-C4' energy: -55.609
flat angles C4'-P-C4' energy: -51.396
flat angles P-C4'-P energy: -33.256
tors. eta vs tors. theta energy: -58.336
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: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -694.502507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.502507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.502507 (E_RNA)
where:
Base-Base interactions energy: -445.862
where: short stacking energy: -188.028
Base-Backbone interact. energy: -2.294
local terms energy: -246.346760
where:
bonds (distance) C4'-P energy: -53.973
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -68.940
flat angles P-C4'-P energy: -32.373
tors. eta vs tors. theta energy: -42.691
Dist. restrs. and SS energy: 0.000 (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: 357
Temperature: 1.300000
Total energy: -593.055717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.055717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.055717 (E_RNA)
where:
Base-Base interactions energy: -402.861
where: short stacking energy: -175.131
Base-Backbone interact. energy: -0.494
local terms energy: -189.700702
where:
bonds (distance) C4'-P energy: -45.092
bonds (distance) P-C4' energy: -49.662
flat angles C4'-P-C4' energy: -38.954
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -28.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -420.993182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.993182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.993182 (E_RNA)
where:
Base-Base interactions energy: -232.463
where: short stacking energy: -98.943
Base-Backbone interact. energy: -0.232
local terms energy: -188.297604
where:
bonds (distance) C4'-P energy: -49.552
bonds (distance) P-C4' energy: -57.469
flat angles C4'-P-C4' energy: -39.761
flat angles P-C4'-P energy: -38.697
tors. eta vs tors. theta energy: -2.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1092.619035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.619035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.619035 (E_RNA)
where:
Base-Base interactions energy: -758.428
where: short stacking energy: -332.854
Base-Backbone interact. energy: -2.562
local terms energy: -331.629042
where:
bonds (distance) C4'-P energy: -61.781
bonds (distance) P-C4' energy: -62.395
flat angles C4'-P-C4' energy: -65.302
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -97.214
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: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1042.844313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.844313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.844313 (E_RNA)
where:
Base-Base interactions energy: -723.741
where: short stacking energy: -310.014
Base-Backbone interact. energy: -1.163
local terms energy: -317.939535
where:
bonds (distance) C4'-P energy: -61.128
bonds (distance) P-C4' energy: -61.656
flat angles C4'-P-C4' energy: -62.323
flat angles P-C4'-P energy: -49.427
tors. eta vs tors. theta energy: -83.405
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: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1005.448089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.448089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.448089 (E_RNA)
where:
Base-Base interactions energy: -702.635
where: short stacking energy: -302.827
Base-Backbone interact. energy: -0.740
local terms energy: -302.073137
where:
bonds (distance) C4'-P energy: -42.179
bonds (distance) P-C4' energy: -58.060
flat angles C4'-P-C4' energy: -66.897
flat angles P-C4'-P energy: -48.866
tors. eta vs tors. theta energy: -86.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -959.194249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.194249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.194249 (E_RNA)
where:
Base-Base interactions energy: -667.125
where: short stacking energy: -295.983
Base-Backbone interact. energy: -0.779
local terms energy: -291.289716
where:
bonds (distance) C4'-P energy: -57.523
bonds (distance) P-C4' energy: -49.900
flat angles C4'-P-C4' energy: -58.629
flat angles P-C4'-P energy: -39.578
tors. eta vs tors. theta energy: -85.659
Dist. restrs. and SS energy: 0.000 (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: 358
Temperature: 1.100000
Total energy: -879.071247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.071247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.071247 (E_RNA)
where:
Base-Base interactions energy: -584.768
where: short stacking energy: -245.381
Base-Backbone interact. energy: -3.546
local terms energy: -290.757532
where:
bonds (distance) C4'-P energy: -54.872
bonds (distance) P-C4' energy: -50.506
flat angles C4'-P-C4' energy: -64.876
flat angles P-C4'-P energy: -47.029
tors. eta vs tors. theta energy: -73.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -828.358537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.358537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.358537 (E_RNA)
where:
Base-Base interactions energy: -565.988
where: short stacking energy: -238.887
Base-Backbone interact. energy: 2.882
local terms energy: -265.252696
where:
bonds (distance) C4'-P energy: -49.825
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -58.064
flat angles P-C4'-P energy: -46.749
tors. eta vs tors. theta energy: -56.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -678.049983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.049983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.049983 (E_RNA)
where:
Base-Base interactions energy: -434.360
where: short stacking energy: -197.148
Base-Backbone interact. energy: 4.399
local terms energy: -248.089447
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -47.594
flat angles C4'-P-C4' energy: -63.946
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -49.570
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: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -720.765706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.765706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.765706 (E_RNA)
where:
Base-Base interactions energy: -471.031
where: short stacking energy: -212.054
Base-Backbone interact. energy: -0.029
local terms energy: -249.705161
where:
bonds (distance) C4'-P energy: -49.453
bonds (distance) P-C4' energy: -53.091
flat angles C4'-P-C4' energy: -62.492
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -49.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -626.318059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.318059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.318059 (E_RNA)
where:
Base-Base interactions energy: -401.862
where: short stacking energy: -188.447
Base-Backbone interact. energy: -0.951
local terms energy: -223.505649
where:
bonds (distance) C4'-P energy: -45.583
bonds (distance) P-C4' energy: -48.574
flat angles C4'-P-C4' energy: -56.797
flat angles P-C4'-P energy: -32.169
tors. eta vs tors. theta energy: -40.382
Dist. restrs. and SS energy: 0.000 (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: 358
Temperature: 1.350000
Total energy: -426.856296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.856296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.856296 (E_RNA)
where:
Base-Base interactions energy: -253.669
where: short stacking energy: -131.625
Base-Backbone interact. energy: -0.844
local terms energy: -172.342757
where:
bonds (distance) C4'-P energy: -45.928
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -42.666
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1077.018923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.018923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.018923 (E_RNA)
where:
Base-Base interactions energy: -743.460
where: short stacking energy: -333.627
Base-Backbone interact. energy: -0.371
local terms energy: -333.188418
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -64.121
flat angles C4'-P-C4' energy: -69.241
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: -95.468
Dist. restrs. and SS energy: 0.000 (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: 359
Temperature: 0.950000
Total energy: -1031.426938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.426938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.426938 (E_RNA)
where:
Base-Base interactions energy: -711.678
where: short stacking energy: -326.767
Base-Backbone interact. energy: -0.815
local terms energy: -318.934261
where:
bonds (distance) C4'-P energy: -53.785
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -67.130
flat angles P-C4'-P energy: -42.944
tors. eta vs tors. theta energy: -94.656
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: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1024.573578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.573578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.573578 (E_RNA)
where:
Base-Base interactions energy: -701.497
where: short stacking energy: -296.382
Base-Backbone interact. energy: -0.688
local terms energy: -322.388143
where:
bonds (distance) C4'-P energy: -57.093
bonds (distance) P-C4' energy: -56.696
flat angles C4'-P-C4' energy: -67.906
flat angles P-C4'-P energy: -47.415
tors. eta vs tors. theta energy: -93.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -957.698868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.698868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.698868 (E_RNA)
where:
Base-Base interactions energy: -675.777
where: short stacking energy: -290.378
Base-Backbone interact. energy: -2.387
local terms energy: -279.534335
where:
bonds (distance) C4'-P energy: -55.695
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -62.413
flat angles P-C4'-P energy: -39.447
tors. eta vs tors. theta energy: -71.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -857.035526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.035526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.035526 (E_RNA)
where:
Base-Base interactions energy: -571.478
where: short stacking energy: -234.219
Base-Backbone interact. energy: -4.190
local terms energy: -281.367611
where:
bonds (distance) C4'-P energy: -57.848
bonds (distance) P-C4' energy: -50.127
flat angles C4'-P-C4' energy: -65.528
flat angles P-C4'-P energy: -44.673
tors. eta vs tors. theta energy: -63.191
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: 6, replica: 6
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -853.302349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.302349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.302349 (E_RNA)
where:
Base-Base interactions energy: -584.922
where: short stacking energy: -244.389
Base-Backbone interact. energy: -1.828
local terms energy: -266.552261
where:
bonds (distance) C4'-P energy: -56.504
bonds (distance) P-C4' energy: -58.223
flat angles C4'-P-C4' energy: -57.494
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -57.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -717.990450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.990450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.990450 (E_RNA)
where:
Base-Base interactions energy: -464.194
where: short stacking energy: -221.349
Base-Backbone interact. energy: -0.369
local terms energy: -253.427755
where:
bonds (distance) C4'-P energy: -54.426
bonds (distance) P-C4' energy: -51.910
flat angles C4'-P-C4' energy: -62.914
flat angles P-C4'-P energy: -33.494
tors. eta vs tors. theta energy: -50.685
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: 8, replica: 4
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -684.360841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.360841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.360841 (E_RNA)
where:
Base-Base interactions energy: -459.687
where: short stacking energy: -203.880
Base-Backbone interact. energy: 1.371
local terms energy: -226.044291
where:
bonds (distance) C4'-P energy: -32.436
bonds (distance) P-C4' energy: -57.300
flat angles C4'-P-C4' energy: -56.813
flat angles P-C4'-P energy: -39.677
tors. eta vs tors. theta energy: -39.818
Dist. restrs. and SS energy: 0.000 (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: 359
Temperature: 1.300000
Total energy: -601.565884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.565884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.565884 (E_RNA)
where:
Base-Base interactions energy: -378.043
where: short stacking energy: -161.893
Base-Backbone interact. energy: -0.650
local terms energy: -222.872683
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -58.633
flat angles C4'-P-C4' energy: -57.957
flat angles P-C4'-P energy: -31.644
tors. eta vs tors. theta energy: -22.070
Dist. restrs. and SS energy: 0.000 (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: 359
Temperature: 1.350000
Total energy: -447.511263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.511263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.511263 (E_RNA)
where:
Base-Base interactions energy: -251.954
where: short stacking energy: -132.290
Base-Backbone interact. energy: -0.963
local terms energy: -194.594241
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -58.676
flat angles C4'-P-C4' energy: -44.128
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1072.894130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.894130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.894130 (E_RNA)
where:
Base-Base interactions energy: -738.347
where: short stacking energy: -329.973
Base-Backbone interact. energy: -1.867
local terms energy: -332.680104
where:
bonds (distance) C4'-P energy: -60.684
bonds (distance) P-C4' energy: -58.468
flat angles C4'-P-C4' energy: -68.124
flat angles P-C4'-P energy: -51.159
tors. eta vs tors. theta energy: -94.245
Dist. restrs. and SS energy: 0.000 (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: 360
Temperature: 0.950000
Total energy: -1046.605312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.605312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.605312 (E_RNA)
where:
Base-Base interactions energy: -726.789
where: short stacking energy: -325.764
Base-Backbone interact. energy: -0.566
local terms energy: -319.250378
where:
bonds (distance) C4'-P energy: -53.800
bonds (distance) P-C4' energy: -60.898
flat angles C4'-P-C4' energy: -65.465
flat angles P-C4'-P energy: -44.707
tors. eta vs tors. theta energy: -94.380
Dist. restrs. and SS energy: 0.000 (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: 360
Temperature: 1.000000
Total energy: -987.698541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.698541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.698541 (E_RNA)
where:
Base-Base interactions energy: -687.728
where: short stacking energy: -294.782
Base-Backbone interact. energy: -1.540
local terms energy: -298.430384
where:
bonds (distance) C4'-P energy: -55.844
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -69.333
flat angles P-C4'-P energy: -44.818
tors. eta vs tors. theta energy: -78.214
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: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -997.677088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.677088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.677088 (E_RNA)
where:
Base-Base interactions energy: -699.966
where: short stacking energy: -298.932
Base-Backbone interact. energy: 0.980
local terms energy: -298.691958
where:
bonds (distance) C4'-P energy: -55.111
bonds (distance) P-C4' energy: -50.048
flat angles C4'-P-C4' energy: -60.199
flat angles P-C4'-P energy: -49.963
tors. eta vs tors. theta energy: -83.371
Dist. restrs. and SS energy: 0.000 (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: 360
Temperature: 1.100000
Total energy: -866.693627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.693627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.693627 (E_RNA)
where:
Base-Base interactions energy: -590.052
where: short stacking energy: -253.124
Base-Backbone interact. energy: 0.089
local terms energy: -276.731120
where:
bonds (distance) C4'-P energy: -58.066
bonds (distance) P-C4' energy: -47.621
flat angles C4'-P-C4' energy: -67.846
flat angles P-C4'-P energy: -33.537
tors. eta vs tors. theta energy: -69.662
Dist. restrs. and SS energy: 0.000 (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: 360
Temperature: 1.150000
Total energy: -830.895011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.895011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.895011 (E_RNA)
where:
Base-Base interactions energy: -563.421
where: short stacking energy: -250.569
Base-Backbone interact. energy: 0.184
local terms energy: -267.658667
where:
bonds (distance) C4'-P energy: -47.579
bonds (distance) P-C4' energy: -59.787
flat angles C4'-P-C4' energy: -57.937
flat angles P-C4'-P energy: -39.876
tors. eta vs tors. theta energy: -62.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -728.755262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.755262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.755262 (E_RNA)
where:
Base-Base interactions energy: -480.367
where: short stacking energy: -199.023
Base-Backbone interact. energy: 2.401
local terms energy: -250.789019
where:
bonds (distance) C4'-P energy: -51.623
bonds (distance) P-C4' energy: -54.928
flat angles C4'-P-C4' energy: -62.950
flat angles P-C4'-P energy: -44.405
tors. eta vs tors. theta energy: -36.884
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: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -676.821823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.821823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.821823 (E_RNA)
where:
Base-Base interactions energy: -449.141
where: short stacking energy: -203.476
Base-Backbone interact. energy: -1.165
local terms energy: -226.516097
where:
bonds (distance) C4'-P energy: -51.000
bonds (distance) P-C4' energy: -48.485
flat angles C4'-P-C4' energy: -47.487
flat angles P-C4'-P energy: -36.200
tors. eta vs tors. theta energy: -43.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -573.346346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.346346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.346346 (E_RNA)
where:
Base-Base interactions energy: -351.878
where: short stacking energy: -164.065
Base-Backbone interact. energy: 1.001
local terms energy: -222.469078
where:
bonds (distance) C4'-P energy: -53.104
bonds (distance) P-C4' energy: -49.409
flat angles C4'-P-C4' energy: -55.071
flat angles P-C4'-P energy: -35.588
tors. eta vs tors. theta energy: -29.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -451.571675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.571675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.571675 (E_RNA)
where:
Base-Base interactions energy: -258.542
where: short stacking energy: -127.606
Base-Backbone interact. energy: 1.223
local terms energy: -194.252984
where:
bonds (distance) C4'-P energy: -40.335
bonds (distance) P-C4' energy: -55.016
flat angles C4'-P-C4' energy: -45.943
flat angles P-C4'-P energy: -31.307
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1084.219089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.219089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.219089 (E_RNA)
where:
Base-Base interactions energy: -736.724
where: short stacking energy: -335.062
Base-Backbone interact. energy: -1.051
local terms energy: -346.443856
where:
bonds (distance) C4'-P energy: -56.048
bonds (distance) P-C4' energy: -65.866
flat angles C4'-P-C4' energy: -73.224
flat angles P-C4'-P energy: -49.173
tors. eta vs tors. theta energy: -102.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1033.896029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.896029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.896029 (E_RNA)
where:
Base-Base interactions energy: -720.462
where: short stacking energy: -324.942
Base-Backbone interact. energy: -0.469
local terms energy: -312.965123
where:
bonds (distance) C4'-P energy: -50.554
bonds (distance) P-C4' energy: -61.338
flat angles C4'-P-C4' energy: -65.993
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -95.122
Dist. restrs. and SS energy: 0.000 (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: 361
Temperature: 1.000000
Total energy: -973.006279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.006279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.006279 (E_RNA)
where:
Base-Base interactions energy: -681.273
where: short stacking energy: -284.533
Base-Backbone interact. energy: -0.543
local terms energy: -291.190544
where:
bonds (distance) C4'-P energy: -49.288
bonds (distance) P-C4' energy: -54.630
flat angles C4'-P-C4' energy: -67.936
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: -78.353
Dist. restrs. and SS energy: 0.000 (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: 361
Temperature: 1.050000
Total energy: -966.360897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.360897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.360897 (E_RNA)
where:
Base-Base interactions energy: -658.977
where: short stacking energy: -297.160
Base-Backbone interact. energy: 0.095
local terms energy: -307.479642
where:
bonds (distance) C4'-P energy: -53.155
bonds (distance) P-C4' energy: -61.432
flat angles C4'-P-C4' energy: -68.007
flat angles P-C4'-P energy: -37.121
tors. eta vs tors. theta energy: -87.765
Dist. restrs. and SS energy: 0.000 (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: 361
Temperature: 1.100000
Total energy: -900.184550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.184550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.184550 (E_RNA)
where:
Base-Base interactions energy: -636.050
where: short stacking energy: -270.535
Base-Backbone interact. energy: 2.656
local terms energy: -266.791354
where:
bonds (distance) C4'-P energy: -44.899
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -63.711
flat angles P-C4'-P energy: -44.225
tors. eta vs tors. theta energy: -65.385
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: 6, replica: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -846.559354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.559354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.559354 (E_RNA)
where:
Base-Base interactions energy: -565.698
where: short stacking energy: -251.964
Base-Backbone interact. energy: -1.659
local terms energy: -279.202511
where:
bonds (distance) C4'-P energy: -63.375
bonds (distance) P-C4' energy: -55.966
flat angles C4'-P-C4' energy: -55.559
flat angles P-C4'-P energy: -40.024
tors. eta vs tors. theta energy: -64.278
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: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -734.219398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.219398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.219398 (E_RNA)
where:
Base-Base interactions energy: -488.347
where: short stacking energy: -219.652
Base-Backbone interact. energy: -0.319
local terms energy: -245.553814
where:
bonds (distance) C4'-P energy: -40.870
bonds (distance) P-C4' energy: -60.642
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -40.596
tors. eta vs tors. theta energy: -49.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -699.568557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.568557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.568557 (E_RNA)
where:
Base-Base interactions energy: -466.380
where: short stacking energy: -210.161
Base-Backbone interact. energy: -1.704
local terms energy: -231.484678
where:
bonds (distance) C4'-P energy: -50.814
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -52.649
flat angles P-C4'-P energy: -28.087
tors. eta vs tors. theta energy: -49.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -574.030434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.030434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.030434 (E_RNA)
where:
Base-Base interactions energy: -362.593
where: short stacking energy: -164.877
Base-Backbone interact. energy: 2.957
local terms energy: -214.394564
where:
bonds (distance) C4'-P energy: -46.226
bonds (distance) P-C4' energy: -51.602
flat angles C4'-P-C4' energy: -48.979
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -29.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -439.696853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.696853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.696853 (E_RNA)
where:
Base-Base interactions energy: -264.588
where: short stacking energy: -120.833
Base-Backbone interact. energy: 1.758
local terms energy: -176.866438
where:
bonds (distance) C4'-P energy: -55.665
bonds (distance) P-C4' energy: -51.126
flat angles C4'-P-C4' energy: -44.601
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -6.536
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: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1067.086882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.086882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.086882 (E_RNA)
where:
Base-Base interactions energy: -741.419
where: short stacking energy: -321.754
Base-Backbone interact. energy: -0.629
local terms energy: -325.038331
where:
bonds (distance) C4'-P energy: -64.330
bonds (distance) P-C4' energy: -62.778
flat angles C4'-P-C4' energy: -60.304
flat angles P-C4'-P energy: -47.051
tors. eta vs tors. theta energy: -90.576
Dist. restrs. and SS energy: 0.000 (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: 362
Temperature: 0.950000
Total energy: -1051.598672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.598672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.598672 (E_RNA)
where:
Base-Base interactions energy: -732.888
where: short stacking energy: -333.995
Base-Backbone interact. energy: -0.536
local terms energy: -318.174534
where:
bonds (distance) C4'-P energy: -61.118
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -50.264
tors. eta vs tors. theta energy: -96.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1005.491430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.491430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.491430 (E_RNA)
where:
Base-Base interactions energy: -691.370
where: short stacking energy: -314.780
Base-Backbone interact. energy: -0.906
local terms energy: -313.215159
where:
bonds (distance) C4'-P energy: -61.829
bonds (distance) P-C4' energy: -51.744
flat angles C4'-P-C4' energy: -62.678
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -91.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -963.804983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.804983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.804983 (E_RNA)
where:
Base-Base interactions energy: -678.943
where: short stacking energy: -284.762
Base-Backbone interact. energy: 2.369
local terms energy: -287.231354
where:
bonds (distance) C4'-P energy: -61.832
bonds (distance) P-C4' energy: -49.504
flat angles C4'-P-C4' energy: -61.566
flat angles P-C4'-P energy: -37.947
tors. eta vs tors. theta energy: -76.382
Dist. restrs. and SS energy: 0.000 (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: 362
Temperature: 1.100000
Total energy: -882.422232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.422232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.422232 (E_RNA)
where:
Base-Base interactions energy: -628.293
where: short stacking energy: -256.465
Base-Backbone interact. energy: -1.063
local terms energy: -253.066446
where:
bonds (distance) C4'-P energy: -43.989
bonds (distance) P-C4' energy: -48.720
flat angles C4'-P-C4' energy: -58.968
flat angles P-C4'-P energy: -44.145
tors. eta vs tors. theta energy: -57.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -819.233353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.233353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.233353 (E_RNA)
where:
Base-Base interactions energy: -561.319
where: short stacking energy: -246.925
Base-Backbone interact. energy: -1.631
local terms energy: -256.284154
where:
bonds (distance) C4'-P energy: -47.544
bonds (distance) P-C4' energy: -50.522
flat angles C4'-P-C4' energy: -59.543
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -64.968
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: 7, replica: 4
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -739.411293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.411293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.411293 (E_RNA)
where:
Base-Base interactions energy: -485.643
where: short stacking energy: -213.426
Base-Backbone interact. energy: -0.620
local terms energy: -253.147592
where:
bonds (distance) C4'-P energy: -40.248
bonds (distance) P-C4' energy: -55.858
flat angles C4'-P-C4' energy: -61.157
flat angles P-C4'-P energy: -40.715
tors. eta vs tors. theta energy: -55.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -704.650955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.650955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.650955 (E_RNA)
where:
Base-Base interactions energy: -455.367
where: short stacking energy: -218.069
Base-Backbone interact. energy: 1.766
local terms energy: -251.049274
where:
bonds (distance) C4'-P energy: -61.978
bonds (distance) P-C4' energy: -56.215
flat angles C4'-P-C4' energy: -46.399
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: -49.168
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: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -636.097835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.097835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.097835 (E_RNA)
where:
Base-Base interactions energy: -432.879
where: short stacking energy: -189.935
Base-Backbone interact. energy: 0.111
local terms energy: -203.330022
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -42.436
flat angles C4'-P-C4' energy: -49.244
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: -43.185
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: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -396.860163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.860163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.860163 (E_RNA)
where:
Base-Base interactions energy: -232.965
where: short stacking energy: -113.393
Base-Backbone interact. energy: 0.081
local terms energy: -163.976188
where:
bonds (distance) C4'-P energy: -46.864
bonds (distance) P-C4' energy: -43.235
flat angles C4'-P-C4' energy: -44.300
flat angles P-C4'-P energy: -20.465
tors. eta vs tors. theta energy: -9.112
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: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1070.940823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.940823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.940823 (E_RNA)
where:
Base-Base interactions energy: -753.971
where: short stacking energy: -332.835
Base-Backbone interact. energy: -2.060
local terms energy: -314.910716
where:
bonds (distance) C4'-P energy: -53.704
bonds (distance) P-C4' energy: -51.527
flat angles C4'-P-C4' energy: -69.248
flat angles P-C4'-P energy: -50.335
tors. eta vs tors. theta energy: -90.097
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: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1032.994121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.994121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.994121 (E_RNA)
where:
Base-Base interactions energy: -711.115
where: short stacking energy: -315.486
Base-Backbone interact. energy: -0.828
local terms energy: -321.050843
where:
bonds (distance) C4'-P energy: -57.187
bonds (distance) P-C4' energy: -60.972
flat angles C4'-P-C4' energy: -70.654
flat angles P-C4'-P energy: -49.939
tors. eta vs tors. theta energy: -82.298
Dist. restrs. and SS energy: 0.000 (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: 363
Temperature: 1.000000
Total energy: -1041.112696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.112696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.112696 (E_RNA)
where:
Base-Base interactions energy: -717.238
where: short stacking energy: -316.816
Base-Backbone interact. energy: -1.431
local terms energy: -322.443593
where:
bonds (distance) C4'-P energy: -57.807
bonds (distance) P-C4' energy: -60.964
flat angles C4'-P-C4' energy: -64.400
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -86.681
Dist. restrs. and SS energy: 0.000 (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: 363
Temperature: 1.050000
Total energy: -979.613072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.613072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.613072 (E_RNA)
where:
Base-Base interactions energy: -680.204
where: short stacking energy: -277.760
Base-Backbone interact. energy: -1.762
local terms energy: -297.646351
where:
bonds (distance) C4'-P energy: -51.508
bonds (distance) P-C4' energy: -65.361
flat angles C4'-P-C4' energy: -61.038
flat angles P-C4'-P energy: -38.998
tors. eta vs tors. theta energy: -80.741
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: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -908.462267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.462267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.462267 (E_RNA)
where:
Base-Base interactions energy: -632.654
where: short stacking energy: -272.485
Base-Backbone interact. energy: -1.885
local terms energy: -273.922598
where:
bonds (distance) C4'-P energy: -55.549
bonds (distance) P-C4' energy: -49.035
flat angles C4'-P-C4' energy: -65.047
flat angles P-C4'-P energy: -38.198
tors. eta vs tors. theta energy: -66.094
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: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -825.252681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.252681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.252681 (E_RNA)
where:
Base-Base interactions energy: -549.616
where: short stacking energy: -243.117
Base-Backbone interact. energy: -1.092
local terms energy: -274.544206
where:
bonds (distance) C4'-P energy: -53.418
bonds (distance) P-C4' energy: -56.051
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -42.806
tors. eta vs tors. theta energy: -64.785
Dist. restrs. and SS energy: 0.000 (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: -740.206622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.206622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.206622 (E_RNA)
where:
Base-Base interactions energy: -502.696
where: short stacking energy: -237.594
Base-Backbone interact. energy: -0.502
local terms energy: -237.008320
where:
bonds (distance) C4'-P energy: -50.080
bonds (distance) P-C4' energy: -46.323
flat angles C4'-P-C4' energy: -56.936
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -53.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -685.839744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.839744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.839744 (E_RNA)
where:
Base-Base interactions energy: -435.974
where: short stacking energy: -179.486
Base-Backbone interact. energy: -1.455
local terms energy: -248.410136
where:
bonds (distance) C4'-P energy: -45.261
bonds (distance) P-C4' energy: -56.026
flat angles C4'-P-C4' energy: -56.864
flat angles P-C4'-P energy: -45.462
tors. eta vs tors. theta energy: -44.798
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: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -583.666873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.666873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.666873 (E_RNA)
where:
Base-Base interactions energy: -345.849
where: short stacking energy: -166.882
Base-Backbone interact. energy: 0.225
local terms energy: -238.043702
where:
bonds (distance) C4'-P energy: -63.544
bonds (distance) P-C4' energy: -50.827
flat angles C4'-P-C4' energy: -53.097
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -34.916
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: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -343.546915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.546915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.546915 (E_RNA)
where:
Base-Base interactions energy: -167.973
where: short stacking energy: -97.903
Base-Backbone interact. energy: 1.392
local terms energy: -176.966426
where:
bonds (distance) C4'-P energy: -54.858
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -43.265
flat angles P-C4'-P energy: -30.467
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1089.584906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.584906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.584906 (E_RNA)
where:
Base-Base interactions energy: -743.353
where: short stacking energy: -344.270
Base-Backbone interact. energy: -2.499
local terms energy: -343.732648
where:
bonds (distance) C4'-P energy: -61.976
bonds (distance) P-C4' energy: -69.292
flat angles C4'-P-C4' energy: -65.215
flat angles P-C4'-P energy: -48.309
tors. eta vs tors. theta energy: -98.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1033.008050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.008050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.008050 (E_RNA)
where:
Base-Base interactions energy: -719.276
where: short stacking energy: -303.424
Base-Backbone interact. energy: 0.271
local terms energy: -314.002987
where:
bonds (distance) C4'-P energy: -55.329
bonds (distance) P-C4' energy: -56.075
flat angles C4'-P-C4' energy: -68.693
flat angles P-C4'-P energy: -49.590
tors. eta vs tors. theta energy: -84.316
Dist. restrs. and SS energy: 0.000 (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: 364
Temperature: 1.000000
Total energy: -1019.769893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.769893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.769893 (E_RNA)
where:
Base-Base interactions energy: -711.322
where: short stacking energy: -300.398
Base-Backbone interact. energy: -1.222
local terms energy: -307.225027
where:
bonds (distance) C4'-P energy: -51.178
bonds (distance) P-C4' energy: -58.182
flat angles C4'-P-C4' energy: -69.404
flat angles P-C4'-P energy: -41.305
tors. eta vs tors. theta energy: -87.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -958.637683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.637683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.637683 (E_RNA)
where:
Base-Base interactions energy: -666.616
where: short stacking energy: -279.414
Base-Backbone interact. energy: -1.099
local terms energy: -290.922938
where:
bonds (distance) C4'-P energy: -56.861
bonds (distance) P-C4' energy: -55.275
flat angles C4'-P-C4' energy: -68.026
flat angles P-C4'-P energy: -37.694
tors. eta vs tors. theta energy: -73.067
Dist. restrs. and SS energy: 0.000 (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: 364
Temperature: 1.100000
Total energy: -889.430169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.430169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.430169 (E_RNA)
where:
Base-Base interactions energy: -613.927
where: short stacking energy: -268.921
Base-Backbone interact. energy: -2.052
local terms energy: -273.451002
where:
bonds (distance) C4'-P energy: -51.468
bonds (distance) P-C4' energy: -52.478
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -68.438
Dist. restrs. and SS energy: 0.000 (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: 364
Temperature: 1.150000
Total energy: -864.028544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.028544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.028544 (E_RNA)
where:
Base-Base interactions energy: -603.356
where: short stacking energy: -251.794
Base-Backbone interact. energy: -0.076
local terms energy: -260.595927
where:
bonds (distance) C4'-P energy: -47.305
bonds (distance) P-C4' energy: -52.005
flat angles C4'-P-C4' energy: -63.491
flat angles P-C4'-P energy: -35.469
tors. eta vs tors. theta energy: -62.325
Dist. restrs. and SS energy: 0.000 (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: -707.740808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.740808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.740808 (E_RNA)
where:
Base-Base interactions energy: -470.448
where: short stacking energy: -212.419
Base-Backbone interact. energy: 2.618
local terms energy: -239.911217
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -53.498
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -56.196
Dist. restrs. and SS energy: 0.000 (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: 364
Temperature: 1.250000
Total energy: -740.343354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.343354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.343354 (E_RNA)
where:
Base-Base interactions energy: -477.081
where: short stacking energy: -210.424
Base-Backbone interact. energy: -0.593
local terms energy: -262.669092
where:
bonds (distance) C4'-P energy: -67.663
bonds (distance) P-C4' energy: -54.483
flat angles C4'-P-C4' energy: -66.310
flat angles P-C4'-P energy: -27.180
tors. eta vs tors. theta energy: -47.034
Dist. restrs. and SS energy: 0.000 (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: 364
Temperature: 1.300000
Total energy: -603.396441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.396441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.396441 (E_RNA)
where:
Base-Base interactions energy: -391.615
where: short stacking energy: -176.462
Base-Backbone interact. energy: -0.667
local terms energy: -211.114616
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -44.572
flat angles C4'-P-C4' energy: -46.041
flat angles P-C4'-P energy: -43.533
tors. eta vs tors. theta energy: -36.265
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: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -345.835883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.835883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.835883 (E_RNA)
where:
Base-Base interactions energy: -161.699
where: short stacking energy: -96.353
Base-Backbone interact. energy: 0.735
local terms energy: -184.872539
where:
bonds (distance) C4'-P energy: -43.758
bonds (distance) P-C4' energy: -58.902
flat angles C4'-P-C4' energy: -48.986
flat angles P-C4'-P energy: -20.841
tors. eta vs tors. theta energy: -12.386
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: 1, replica: 8
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1069.855368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.855368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.855368 (E_RNA)
where:
Base-Base interactions energy: -751.173
where: short stacking energy: -323.697
Base-Backbone interact. energy: -1.577
local terms energy: -317.105677
where:
bonds (distance) C4'-P energy: -58.475
bonds (distance) P-C4' energy: -51.695
flat angles C4'-P-C4' energy: -69.649
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -93.717
Dist. restrs. and SS energy: 0.000 (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: 365
Temperature: 0.950000
Total energy: -1054.046120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.046120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.046120 (E_RNA)
where:
Base-Base interactions energy: -730.682
where: short stacking energy: -328.921
Base-Backbone interact. energy: -0.759
local terms energy: -322.605104
where:
bonds (distance) C4'-P energy: -61.818
bonds (distance) P-C4' energy: -56.250
flat angles C4'-P-C4' energy: -66.894
flat angles P-C4'-P energy: -44.732
tors. eta vs tors. theta energy: -92.911
Dist. restrs. and SS energy: 0.000 (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: 365
Temperature: 1.000000
Total energy: -1035.373516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.373516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.373516 (E_RNA)
where:
Base-Base interactions energy: -723.917
where: short stacking energy: -320.148
Base-Backbone interact. energy: -0.415
local terms energy: -311.041758
where:
bonds (distance) C4'-P energy: -54.533
bonds (distance) P-C4' energy: -51.206
flat angles C4'-P-C4' energy: -62.655
flat angles P-C4'-P energy: -47.142
tors. eta vs tors. theta energy: -95.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -924.782850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.782850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.782850 (E_RNA)
where:
Base-Base interactions energy: -640.200
where: short stacking energy: -257.792
Base-Backbone interact. energy: -1.080
local terms energy: -283.502549
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -55.999
flat angles C4'-P-C4' energy: -57.550
flat angles P-C4'-P energy: -41.211
tors. eta vs tors. theta energy: -76.023
Dist. restrs. and SS energy: 0.000 (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: 365
Temperature: 1.100000
Total energy: -881.343097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.343097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.343097 (E_RNA)
where:
Base-Base interactions energy: -612.727
where: short stacking energy: -263.644
Base-Backbone interact. energy: -1.382
local terms energy: -267.234422
where:
bonds (distance) C4'-P energy: -43.908
bonds (distance) P-C4' energy: -49.723
flat angles C4'-P-C4' energy: -64.770
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -72.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -844.252549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.252549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.252549 (E_RNA)
where:
Base-Base interactions energy: -574.637
where: short stacking energy: -246.960
Base-Backbone interact. energy: 1.236
local terms energy: -270.851219
where:
bonds (distance) C4'-P energy: -52.220
bonds (distance) P-C4' energy: -60.889
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: -52.093
Dist. restrs. and SS energy: 0.000 (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: 365
Temperature: 1.200000
Total energy: -718.119152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.119152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.119152 (E_RNA)
where:
Base-Base interactions energy: -472.053
where: short stacking energy: -225.484
Base-Backbone interact. energy: 1.389
local terms energy: -247.455316
where:
bonds (distance) C4'-P energy: -49.115
bonds (distance) P-C4' energy: -47.522
flat angles C4'-P-C4' energy: -61.555
flat angles P-C4'-P energy: -31.296
tors. eta vs tors. theta energy: -57.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -680.795156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.795156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.795156 (E_RNA)
where:
Base-Base interactions energy: -456.929
where: short stacking energy: -203.741
Base-Backbone interact. energy: 1.295
local terms energy: -225.161398
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -42.104
flat angles C4'-P-C4' energy: -53.065
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -39.390
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: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -610.727687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.727687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.727687 (E_RNA)
where:
Base-Base interactions energy: -401.671
where: short stacking energy: -171.726
Base-Backbone interact. energy: 0.074
local terms energy: -209.130785
where:
bonds (distance) C4'-P energy: -51.883
bonds (distance) P-C4' energy: -59.119
flat angles C4'-P-C4' energy: -43.067
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.000 (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: 365
Temperature: 1.350000
Total energy: -370.565029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.565029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.565029 (E_RNA)
where:
Base-Base interactions energy: -178.554
where: short stacking energy: -104.246
Base-Backbone interact. energy: -1.010
local terms energy: -191.000271
where:
bonds (distance) C4'-P energy: -47.078
bonds (distance) P-C4' energy: -54.477
flat angles C4'-P-C4' energy: -42.111
flat angles P-C4'-P energy: -36.272
tors. eta vs tors. theta energy: -11.062
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: 1, replica: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1057.632259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.632259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.632259 (E_RNA)
where:
Base-Base interactions energy: -723.323
where: short stacking energy: -319.151
Base-Backbone interact. energy: -0.137
local terms energy: -334.171510
where:
bonds (distance) C4'-P energy: -57.095
bonds (distance) P-C4' energy: -66.294
flat angles C4'-P-C4' energy: -62.248
flat angles P-C4'-P energy: -57.478
tors. eta vs tors. theta energy: -91.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1050.528216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.528216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.528216 (E_RNA)
where:
Base-Base interactions energy: -740.850
where: short stacking energy: -320.048
Base-Backbone interact. energy: -1.026
local terms energy: -308.652371
where:
bonds (distance) C4'-P energy: -56.013
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -70.489
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -85.519
Dist. restrs. and SS energy: 0.000 (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: 366
Temperature: 1.000000
Total energy: -1043.521812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.521812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.521812 (E_RNA)
where:
Base-Base interactions energy: -712.769
where: short stacking energy: -322.263
Base-Backbone interact. energy: -1.267
local terms energy: -329.486740
where:
bonds (distance) C4'-P energy: -57.416
bonds (distance) P-C4' energy: -57.898
flat angles C4'-P-C4' energy: -71.284
flat angles P-C4'-P energy: -51.188
tors. eta vs tors. theta energy: -91.701
Dist. restrs. and SS energy: 0.000 (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: 366
Temperature: 1.050000
Total energy: -924.417284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.417284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.417284 (E_RNA)
where:
Base-Base interactions energy: -626.183
where: short stacking energy: -266.426
Base-Backbone interact. energy: 0.536
local terms energy: -298.769963
where:
bonds (distance) C4'-P energy: -54.492
bonds (distance) P-C4' energy: -63.013
flat angles C4'-P-C4' energy: -64.450
flat angles P-C4'-P energy: -45.162
tors. eta vs tors. theta energy: -71.653
Dist. restrs. and SS energy: 0.000 (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: 366
Temperature: 1.100000
Total energy: -875.313891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.313891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.313891 (E_RNA)
where:
Base-Base interactions energy: -597.751
where: short stacking energy: -250.058
Base-Backbone interact. energy: -0.932
local terms energy: -276.631533
where:
bonds (distance) C4'-P energy: -50.560
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -62.465
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: -61.548
Dist. restrs. and SS energy: 0.000 (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: 366
Temperature: 1.150000
Total energy: -847.116677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.116677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.116677 (E_RNA)
where:
Base-Base interactions energy: -586.364
where: short stacking energy: -229.860
Base-Backbone interact. energy: -1.515
local terms energy: -259.237628
where:
bonds (distance) C4'-P energy: -49.105
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -62.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -712.290315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.290315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.290315 (E_RNA)
where:
Base-Base interactions energy: -476.058
where: short stacking energy: -230.573
Base-Backbone interact. energy: -1.049
local terms energy: -235.183047
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -54.155
flat angles C4'-P-C4' energy: -58.262
flat angles P-C4'-P energy: -35.795
tors. eta vs tors. theta energy: -52.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -676.644736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.644736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.644736 (E_RNA)
where:
Base-Base interactions energy: -458.611
where: short stacking energy: -191.969
Base-Backbone interact. energy: -0.904
local terms energy: -217.130523
where:
bonds (distance) C4'-P energy: -41.920
bonds (distance) P-C4' energy: -50.968
flat angles C4'-P-C4' energy: -62.040
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: -39.859
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: 366
Temperature: 1.300000
Total energy: -559.007013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.007013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.007013 (E_RNA)
where:
Base-Base interactions energy: -337.138
where: short stacking energy: -148.966
Base-Backbone interact. energy: -1.784
local terms energy: -220.085004
where:
bonds (distance) C4'-P energy: -52.360
bonds (distance) P-C4' energy: -60.297
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -31.807
tors. eta vs tors. theta energy: -23.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -390.990117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.990117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.990117 (E_RNA)
where:
Base-Base interactions energy: -186.447
where: short stacking energy: -105.528
Base-Backbone interact. energy: 2.370
local terms energy: -206.913114
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -59.748
flat angles C4'-P-C4' energy: -58.809
flat angles P-C4'-P energy: -35.064
tors. eta vs tors. theta energy: -5.229
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: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1073.525082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.525082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.525082 (E_RNA)
where:
Base-Base interactions energy: -750.105
where: short stacking energy: -332.580
Base-Backbone interact. energy: -0.928
local terms energy: -322.492274
where:
bonds (distance) C4'-P energy: -54.860
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -71.180
flat angles P-C4'-P energy: -45.277
tors. eta vs tors. theta energy: -93.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1068.259910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.259910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.259910 (E_RNA)
where:
Base-Base interactions energy: -748.556
where: short stacking energy: -334.767
Base-Backbone interact. energy: -1.784
local terms energy: -317.919428
where:
bonds (distance) C4'-P energy: -54.473
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -65.489
flat angles P-C4'-P energy: -44.242
tors. eta vs tors. theta energy: -92.057
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: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1048.573677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.573677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.573677 (E_RNA)
where:
Base-Base interactions energy: -732.781
where: short stacking energy: -328.596
Base-Backbone interact. energy: -0.207
local terms energy: -315.585663
where:
bonds (distance) C4'-P energy: -62.685
bonds (distance) P-C4' energy: -57.270
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -38.909
tors. eta vs tors. theta energy: -95.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -952.521826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.521826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.521826 (E_RNA)
where:
Base-Base interactions energy: -651.744
where: short stacking energy: -277.573
Base-Backbone interact. energy: -1.468
local terms energy: -299.309621
where:
bonds (distance) C4'-P energy: -55.621
bonds (distance) P-C4' energy: -64.625
flat angles C4'-P-C4' energy: -64.080
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -71.776
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: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -874.618140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.618140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.618140 (E_RNA)
where:
Base-Base interactions energy: -594.417
where: short stacking energy: -258.263
Base-Backbone interact. energy: -0.186
local terms energy: -280.015199
where:
bonds (distance) C4'-P energy: -59.926
bonds (distance) P-C4' energy: -58.342
flat angles C4'-P-C4' energy: -63.025
flat angles P-C4'-P energy: -35.545
tors. eta vs tors. theta energy: -63.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -872.851286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.851286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.851286 (E_RNA)
where:
Base-Base interactions energy: -627.363
where: short stacking energy: -268.372
Base-Backbone interact. energy: 0.974
local terms energy: -246.462332
where:
bonds (distance) C4'-P energy: -48.981
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -42.396
flat angles P-C4'-P energy: -45.254
tors. eta vs tors. theta energy: -65.511
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: 3
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -706.688016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.688016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.688016 (E_RNA)
where:
Base-Base interactions energy: -462.331
where: short stacking energy: -224.031
Base-Backbone interact. energy: 1.384
local terms energy: -245.741781
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -55.614
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -33.070
tors. eta vs tors. theta energy: -56.112
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: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -698.646184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.646184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.646184 (E_RNA)
where:
Base-Base interactions energy: -471.919
where: short stacking energy: -205.323
Base-Backbone interact. energy: -0.917
local terms energy: -225.810724
where:
bonds (distance) C4'-P energy: -44.213
bonds (distance) P-C4' energy: -57.975
flat angles C4'-P-C4' energy: -50.321
flat angles P-C4'-P energy: -39.873
tors. eta vs tors. theta energy: -33.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -562.854879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.854879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.854879 (E_RNA)
where:
Base-Base interactions energy: -365.981
where: short stacking energy: -160.374
Base-Backbone interact. energy: -0.735
local terms energy: -196.138515
where:
bonds (distance) C4'-P energy: -50.369
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -23.220
tors. eta vs tors. theta energy: -38.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -370.550071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.550071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.550071 (E_RNA)
where:
Base-Base interactions energy: -193.051
where: short stacking energy: -106.382
Base-Backbone interact. energy: -0.228
local terms energy: -177.271210
where:
bonds (distance) C4'-P energy: -45.720
bonds (distance) P-C4' energy: -58.384
flat angles C4'-P-C4' energy: -45.037
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1088.614358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.614358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.614358 (E_RNA)
where:
Base-Base interactions energy: -744.014
where: short stacking energy: -332.414
Base-Backbone interact. energy: -0.765
local terms energy: -343.835164
where:
bonds (distance) C4'-P energy: -61.864
bonds (distance) P-C4' energy: -68.158
flat angles C4'-P-C4' energy: -70.473
flat angles P-C4'-P energy: -46.150
tors. eta vs tors. theta energy: -97.191
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: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1049.510819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.510819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.510819 (E_RNA)
where:
Base-Base interactions energy: -730.588
where: short stacking energy: -322.893
Base-Backbone interact. energy: 0.395
local terms energy: -319.318460
where:
bonds (distance) C4'-P energy: -56.513
bonds (distance) P-C4' energy: -61.911
flat angles C4'-P-C4' energy: -58.430
flat angles P-C4'-P energy: -43.331
tors. eta vs tors. theta energy: -99.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1049.306885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.306885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.306885 (E_RNA)
where:
Base-Base interactions energy: -715.862
where: short stacking energy: -300.366
Base-Backbone interact. energy: -2.067
local terms energy: -331.378236
where:
bonds (distance) C4'-P energy: -59.639
bonds (distance) P-C4' energy: -63.074
flat angles C4'-P-C4' energy: -65.426
flat angles P-C4'-P energy: -49.471
tors. eta vs tors. theta energy: -93.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -949.849278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.849278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.849278 (E_RNA)
where:
Base-Base interactions energy: -661.697
where: short stacking energy: -277.396
Base-Backbone interact. energy: 0.576
local terms energy: -288.728996
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -57.862
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: -79.638
Dist. restrs. and SS energy: 0.000 (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: 368
Temperature: 1.100000
Total energy: -881.538286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.538286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.538286 (E_RNA)
where:
Base-Base interactions energy: -608.536
where: short stacking energy: -248.171
Base-Backbone interact. energy: -0.812
local terms energy: -272.189548
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -58.751
flat angles C4'-P-C4' energy: -60.427
flat angles P-C4'-P energy: -45.849
tors. eta vs tors. theta energy: -59.174
Dist. restrs. and SS energy: 0.000 (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: 368
Temperature: 1.150000
Total energy: -865.432174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.432174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.432174 (E_RNA)
where:
Base-Base interactions energy: -595.629
where: short stacking energy: -253.107
Base-Backbone interact. energy: -0.684
local terms energy: -269.119629
where:
bonds (distance) C4'-P energy: -56.132
bonds (distance) P-C4' energy: -50.286
flat angles C4'-P-C4' energy: -57.038
flat angles P-C4'-P energy: -36.949
tors. eta vs tors. theta energy: -68.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -705.820722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.820722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.820722 (E_RNA)
where:
Base-Base interactions energy: -464.344
where: short stacking energy: -190.304
Base-Backbone interact. energy: -0.737
local terms energy: -240.739575
where:
bonds (distance) C4'-P energy: -50.352
bonds (distance) P-C4' energy: -52.048
flat angles C4'-P-C4' energy: -49.878
flat angles P-C4'-P energy: -44.466
tors. eta vs tors. theta energy: -43.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -687.265431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.265431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.265431 (E_RNA)
where:
Base-Base interactions energy: -457.988
where: short stacking energy: -203.435
Base-Backbone interact. energy: -0.376
local terms energy: -228.902284
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -55.344
flat angles P-C4'-P energy: -29.188
tors. eta vs tors. theta energy: -51.458
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: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -539.008038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.008038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.008038 (E_RNA)
where:
Base-Base interactions energy: -341.894
where: short stacking energy: -169.701
Base-Backbone interact. energy: 1.206
local terms energy: -198.319944
where:
bonds (distance) C4'-P energy: -51.351
bonds (distance) P-C4' energy: -58.600
flat angles C4'-P-C4' energy: -42.071
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -26.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -382.963167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.963167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.963167 (E_RNA)
where:
Base-Base interactions energy: -192.630
where: short stacking energy: -108.800
Base-Backbone interact. energy: 0.219
local terms energy: -190.552139
where:
bonds (distance) C4'-P energy: -58.593
bonds (distance) P-C4' energy: -46.211
flat angles C4'-P-C4' energy: -48.719
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: -13.498
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: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1081.306169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.306169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.306169 (E_RNA)
where:
Base-Base interactions energy: -750.726
where: short stacking energy: -326.340
Base-Backbone interact. energy: -1.621
local terms energy: -328.959108
where:
bonds (distance) C4'-P energy: -58.433
bonds (distance) P-C4' energy: -52.630
flat angles C4'-P-C4' energy: -68.079
flat angles P-C4'-P energy: -52.055
tors. eta vs tors. theta energy: -97.762
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: 2, replica: 1
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1054.204101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.204101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.204101 (E_RNA)
where:
Base-Base interactions energy: -718.759
where: short stacking energy: -314.371
Base-Backbone interact. energy: -1.607
local terms energy: -333.838497
where:
bonds (distance) C4'-P energy: -62.165
bonds (distance) P-C4' energy: -65.297
flat angles C4'-P-C4' energy: -65.134
flat angles P-C4'-P energy: -46.216
tors. eta vs tors. theta energy: -95.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1038.390961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.390961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.390961 (E_RNA)
where:
Base-Base interactions energy: -713.588
where: short stacking energy: -319.196
Base-Backbone interact. energy: -0.698
local terms energy: -324.104857
where:
bonds (distance) C4'-P energy: -58.244
bonds (distance) P-C4' energy: -54.704
flat angles C4'-P-C4' energy: -65.371
flat angles P-C4'-P energy: -50.376
tors. eta vs tors. theta energy: -95.410
Dist. restrs. and SS energy: 0.000 (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: 369
Temperature: 1.050000
Total energy: -935.788188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.788188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.788188 (E_RNA)
where:
Base-Base interactions energy: -651.609
where: short stacking energy: -276.149
Base-Backbone interact. energy: -1.082
local terms energy: -283.097702
where:
bonds (distance) C4'-P energy: -55.468
bonds (distance) P-C4' energy: -51.352
flat angles C4'-P-C4' energy: -65.026
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: -78.801
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: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -883.918155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.918155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.918155 (E_RNA)
where:
Base-Base interactions energy: -610.630
where: short stacking energy: -261.998
Base-Backbone interact. energy: 1.142
local terms energy: -274.429583
where:
bonds (distance) C4'-P energy: -56.575
bonds (distance) P-C4' energy: -44.622
flat angles C4'-P-C4' energy: -59.736
flat angles P-C4'-P energy: -35.520
tors. eta vs tors. theta energy: -77.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -866.617924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.617924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.617924 (E_RNA)
where:
Base-Base interactions energy: -601.840
where: short stacking energy: -256.568
Base-Backbone interact. energy: 3.197
local terms energy: -267.975014
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -57.603
flat angles C4'-P-C4' energy: -45.586
flat angles P-C4'-P energy: -44.582
tors. eta vs tors. theta energy: -63.214
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: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -700.446753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.446753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.446753 (E_RNA)
where:
Base-Base interactions energy: -445.534
where: short stacking energy: -204.958
Base-Backbone interact. energy: 0.190
local terms energy: -255.102092
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -66.680
flat angles C4'-P-C4' energy: -51.509
flat angles P-C4'-P energy: -43.237
tors. eta vs tors. theta energy: -40.520
Dist. restrs. and SS energy: 0.000 (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: 369
Temperature: 1.250000
Total energy: -690.520862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.520862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.520862 (E_RNA)
where:
Base-Base interactions energy: -454.135
where: short stacking energy: -206.636
Base-Backbone interact. energy: -2.044
local terms energy: -234.341991
where:
bonds (distance) C4'-P energy: -49.351
bonds (distance) P-C4' energy: -44.211
flat angles C4'-P-C4' energy: -61.824
flat angles P-C4'-P energy: -36.910
tors. eta vs tors. theta energy: -42.045
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: 9, replica: 9
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -558.957319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.957319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.957319 (E_RNA)
where:
Base-Base interactions energy: -355.960
where: short stacking energy: -171.540
Base-Backbone interact. energy: -1.485
local terms energy: -201.512903
where:
bonds (distance) C4'-P energy: -51.539
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -41.141
flat angles P-C4'-P energy: -28.394
tors. eta vs tors. theta energy: -28.019
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: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -355.415288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.415288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.415288 (E_RNA)
where:
Base-Base interactions energy: -182.852
where: short stacking energy: -91.186
Base-Backbone interact. energy: 3.868
local terms energy: -176.430814
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -52.416
flat angles C4'-P-C4' energy: -36.357
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: 4.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1077.890377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.890377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.890377 (E_RNA)
where:
Base-Base interactions energy: -742.603
where: short stacking energy: -324.878
Base-Backbone interact. energy: -0.314
local terms energy: -334.972828
where:
bonds (distance) C4'-P energy: -59.419
bonds (distance) P-C4' energy: -60.412
flat angles C4'-P-C4' energy: -76.838
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: -98.548
Dist. restrs. and SS energy: 0.000 (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: 370
Temperature: 0.950000
Total energy: -1038.032594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.032594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.032594 (E_RNA)
where:
Base-Base interactions energy: -721.787
where: short stacking energy: -326.462
Base-Backbone interact. energy: -0.154
local terms energy: -316.091631
where:
bonds (distance) C4'-P energy: -53.673
bonds (distance) P-C4' energy: -63.307
flat angles C4'-P-C4' energy: -62.651
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -94.458
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: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1032.073277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.073277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.073277 (E_RNA)
where:
Base-Base interactions energy: -701.763
where: short stacking energy: -315.122
Base-Backbone interact. energy: -0.379
local terms energy: -329.931358
where:
bonds (distance) C4'-P energy: -58.160
bonds (distance) P-C4' energy: -62.124
flat angles C4'-P-C4' energy: -64.729
flat angles P-C4'-P energy: -44.248
tors. eta vs tors. theta energy: -100.670
Dist. restrs. and SS energy: 0.000 (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: 370
Temperature: 1.050000
Total energy: -941.086696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.086696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.086696 (E_RNA)
where:
Base-Base interactions energy: -647.684
where: short stacking energy: -271.143
Base-Backbone interact. energy: -0.983
local terms energy: -292.419239
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -59.093
flat angles C4'-P-C4' energy: -63.694
flat angles P-C4'-P energy: -40.308
tors. eta vs tors. theta energy: -73.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -869.434040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.434040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.434040 (E_RNA)
where:
Base-Base interactions energy: -581.878
where: short stacking energy: -259.791
Base-Backbone interact. energy: -1.717
local terms energy: -285.838461
where:
bonds (distance) C4'-P energy: -55.799
bonds (distance) P-C4' energy: -54.209
flat angles C4'-P-C4' energy: -55.989
flat angles P-C4'-P energy: -50.654
tors. eta vs tors. theta energy: -69.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -862.312138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.312138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.312138 (E_RNA)
where:
Base-Base interactions energy: -602.093
where: short stacking energy: -265.264
Base-Backbone interact. energy: 0.235
local terms energy: -260.453507
where:
bonds (distance) C4'-P energy: -43.821
bonds (distance) P-C4' energy: -53.930
flat angles C4'-P-C4' energy: -58.320
flat angles P-C4'-P energy: -44.944
tors. eta vs tors. theta energy: -59.439
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: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -698.811781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.811781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.811781 (E_RNA)
where:
Base-Base interactions energy: -457.382
where: short stacking energy: -223.525
Base-Backbone interact. energy: -1.320
local terms energy: -240.108984
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -48.716
flat angles C4'-P-C4' energy: -60.591
flat angles P-C4'-P energy: -37.480
tors. eta vs tors. theta energy: -44.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -702.421920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.421920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.421920 (E_RNA)
where:
Base-Base interactions energy: -472.038
where: short stacking energy: -202.272
Base-Backbone interact. energy: 0.443
local terms energy: -230.826330
where:
bonds (distance) C4'-P energy: -56.495
bonds (distance) P-C4' energy: -54.708
flat angles C4'-P-C4' energy: -53.890
flat angles P-C4'-P energy: -24.735
tors. eta vs tors. theta energy: -40.998
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: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -570.019583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.019583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.019583 (E_RNA)
where:
Base-Base interactions energy: -350.558
where: short stacking energy: -170.345
Base-Backbone interact. energy: -0.481
local terms energy: -218.980510
where:
bonds (distance) C4'-P energy: -52.765
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -47.332
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -32.925
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: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -371.755649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.755649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.755649 (E_RNA)
where:
Base-Base interactions energy: -180.464
where: short stacking energy: -101.823
Base-Backbone interact. energy: -1.546
local terms energy: -189.745469
where:
bonds (distance) C4'-P energy: -54.907
bonds (distance) P-C4' energy: -55.553
flat angles C4'-P-C4' energy: -39.493
flat angles P-C4'-P energy: -28.684
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1081.433097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.433097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.433097 (E_RNA)
where:
Base-Base interactions energy: -758.250
where: short stacking energy: -335.842
Base-Backbone interact. energy: -2.781
local terms energy: -320.401629
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -62.071
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -52.219
tors. eta vs tors. theta energy: -92.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1038.927626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.927626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.927626 (E_RNA)
where:
Base-Base interactions energy: -720.068
where: short stacking energy: -329.238
Base-Backbone interact. energy: -1.665
local terms energy: -317.194599
where:
bonds (distance) C4'-P energy: -57.292
bonds (distance) P-C4' energy: -54.482
flat angles C4'-P-C4' energy: -70.077
flat angles P-C4'-P energy: -43.248
tors. eta vs tors. theta energy: -92.095
Dist. restrs. and SS energy: 0.000 (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: 371
Temperature: 1.000000
Total energy: -1043.343140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.343140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.343140 (E_RNA)
where:
Base-Base interactions energy: -719.445
where: short stacking energy: -328.845
Base-Backbone interact. energy: 0.183
local terms energy: -324.081942
where:
bonds (distance) C4'-P energy: -48.350
bonds (distance) P-C4' energy: -52.847
flat angles C4'-P-C4' energy: -70.270
flat angles P-C4'-P energy: -53.922
tors. eta vs tors. theta energy: -98.693
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: 4, replica: 2
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -969.190769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.190769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.190769 (E_RNA)
where:
Base-Base interactions energy: -677.085
where: short stacking energy: -277.708
Base-Backbone interact. energy: -2.378
local terms energy: -289.727785
where:
bonds (distance) C4'-P energy: -56.038
bonds (distance) P-C4' energy: -51.265
flat angles C4'-P-C4' energy: -62.907
flat angles P-C4'-P energy: -40.445
tors. eta vs tors. theta energy: -79.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -854.439767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.439767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.439767 (E_RNA)
where:
Base-Base interactions energy: -563.908
where: short stacking energy: -248.130
Base-Backbone interact. energy: -0.562
local terms energy: -289.969995
where:
bonds (distance) C4'-P energy: -56.279
bonds (distance) P-C4' energy: -50.761
flat angles C4'-P-C4' energy: -70.697
flat angles P-C4'-P energy: -38.564
tors. eta vs tors. theta energy: -73.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -822.793916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.793916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.793916 (E_RNA)
where:
Base-Base interactions energy: -562.094
where: short stacking energy: -242.437
Base-Backbone interact. energy: 2.006
local terms energy: -262.705477
where:
bonds (distance) C4'-P energy: -49.223
bonds (distance) P-C4' energy: -52.470
flat angles C4'-P-C4' energy: -59.165
flat angles P-C4'-P energy: -37.015
tors. eta vs tors. theta energy: -64.833
Dist. restrs. and SS energy: 0.000 (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: 371
Temperature: 1.200000
Total energy: -715.112753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.112753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.112753 (E_RNA)
where:
Base-Base interactions energy: -461.767
where: short stacking energy: -210.422
Base-Backbone interact. energy: 0.874
local terms energy: -254.219712
where:
bonds (distance) C4'-P energy: -51.582
bonds (distance) P-C4' energy: -55.960
flat angles C4'-P-C4' energy: -62.365
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -54.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -690.312645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.312645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.312645 (E_RNA)
where:
Base-Base interactions energy: -452.020
where: short stacking energy: -198.410
Base-Backbone interact. energy: -1.467
local terms energy: -236.825892
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -63.037
flat angles C4'-P-C4' energy: -51.681
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (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: 371
Temperature: 1.300000
Total energy: -618.076920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.076920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.076920 (E_RNA)
where:
Base-Base interactions energy: -401.077
where: short stacking energy: -180.927
Base-Backbone interact. energy: -0.327
local terms energy: -216.672529
where:
bonds (distance) C4'-P energy: -54.905
bonds (distance) P-C4' energy: -58.680
flat angles C4'-P-C4' energy: -47.557
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -32.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -370.611357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.611357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.611357 (E_RNA)
where:
Base-Base interactions energy: -178.101
where: short stacking energy: -101.025
Base-Backbone interact. energy: 3.257
local terms energy: -195.767468
where:
bonds (distance) C4'-P energy: -54.873
bonds (distance) P-C4' energy: -52.248
flat angles C4'-P-C4' energy: -49.733
flat angles P-C4'-P energy: -28.551
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1078.049789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.049789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.049789 (E_RNA)
where:
Base-Base interactions energy: -744.155
where: short stacking energy: -325.443
Base-Backbone interact. energy: -1.455
local terms energy: -332.439509
where:
bonds (distance) C4'-P energy: -59.887
bonds (distance) P-C4' energy: -59.863
flat angles C4'-P-C4' energy: -71.587
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: -96.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1053.083858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.083858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.083858 (E_RNA)
where:
Base-Base interactions energy: -737.754
where: short stacking energy: -332.380
Base-Backbone interact. energy: 0.569
local terms energy: -315.898678
where:
bonds (distance) C4'-P energy: -48.299
bonds (distance) P-C4' energy: -60.791
flat angles C4'-P-C4' energy: -71.145
flat angles P-C4'-P energy: -37.818
tors. eta vs tors. theta energy: -97.846
Dist. restrs. and SS energy: 0.000 (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: 372
Temperature: 1.000000
Total energy: -1051.888968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.888968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.888968 (E_RNA)
where:
Base-Base interactions energy: -718.088
where: short stacking energy: -325.976
Base-Backbone interact. energy: -0.265
local terms energy: -333.536138
where:
bonds (distance) C4'-P energy: -64.872
bonds (distance) P-C4' energy: -48.408
flat angles C4'-P-C4' energy: -68.663
flat angles P-C4'-P energy: -45.855
tors. eta vs tors. theta energy: -105.738
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: 4, replica: 2
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -964.297406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.297406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.297406 (E_RNA)
where:
Base-Base interactions energy: -686.152
where: short stacking energy: -274.370
Base-Backbone interact. energy: -3.271
local terms energy: -274.874520
where:
bonds (distance) C4'-P energy: -47.047
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -62.858
flat angles P-C4'-P energy: -47.966
tors. eta vs tors. theta energy: -70.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -862.007567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.007567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.007567 (E_RNA)
where:
Base-Base interactions energy: -591.733
where: short stacking energy: -253.758
Base-Backbone interact. energy: -0.629
local terms energy: -269.645640
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -51.592
flat angles C4'-P-C4' energy: -62.648
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -61.113
Dist. restrs. and SS energy: 0.000 (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: 372
Temperature: 1.150000
Total energy: -832.876781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.876781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.876781 (E_RNA)
where:
Base-Base interactions energy: -571.997
where: short stacking energy: -251.207
Base-Backbone interact. energy: -1.084
local terms energy: -259.795529
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -67.002
flat angles P-C4'-P energy: -29.677
tors. eta vs tors. theta energy: -68.789
Dist. restrs. and SS energy: 0.000 (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: 372
Temperature: 1.200000
Total energy: -687.372234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.372234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.372234 (E_RNA)
where:
Base-Base interactions energy: -438.870
where: short stacking energy: -193.096
Base-Backbone interact. energy: -2.868
local terms energy: -245.633971
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -63.382
flat angles C4'-P-C4' energy: -51.106
flat angles P-C4'-P energy: -37.133
tors. eta vs tors. theta energy: -44.816
Dist. restrs. and SS energy: 0.000 (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: 372
Temperature: 1.250000
Total energy: -683.949610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.949610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.949610 (E_RNA)
where:
Base-Base interactions energy: -456.422
where: short stacking energy: -203.790
Base-Backbone interact. energy: -1.301
local terms energy: -226.226838
where:
bonds (distance) C4'-P energy: -49.316
bonds (distance) P-C4' energy: -59.848
flat angles C4'-P-C4' energy: -30.747
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -43.767
Dist. restrs. and SS energy: 0.000 (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: 372
Temperature: 1.300000
Total energy: -609.976859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.976859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.976859 (E_RNA)
where:
Base-Base interactions energy: -399.107
where: short stacking energy: -169.487
Base-Backbone interact. energy: 0.059
local terms energy: -210.928546
where:
bonds (distance) C4'-P energy: -61.090
bonds (distance) P-C4' energy: -33.475
flat angles C4'-P-C4' energy: -47.451
flat angles P-C4'-P energy: -36.270
tors. eta vs tors. theta energy: -32.644
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: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -359.780253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.780253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.780253 (E_RNA)
where:
Base-Base interactions energy: -197.260
where: short stacking energy: -106.559
Base-Backbone interact. energy: 3.512
local terms energy: -166.032289
where:
bonds (distance) C4'-P energy: -49.532
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -45.557
flat angles P-C4'-P energy: -25.453
tors. eta vs tors. theta energy: -5.690
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: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1078.468639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.468639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.468639 (E_RNA)
where:
Base-Base interactions energy: -741.782
where: short stacking energy: -321.357
Base-Backbone interact. energy: -1.099
local terms energy: -335.588297
where:
bonds (distance) C4'-P energy: -58.777
bonds (distance) P-C4' energy: -63.705
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -49.504
tors. eta vs tors. theta energy: -93.966
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: 2, replica: 1
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1059.228215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.228215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.228215 (E_RNA)
where:
Base-Base interactions energy: -725.923
where: short stacking energy: -324.723
Base-Backbone interact. energy: 0.164
local terms energy: -333.469116
where:
bonds (distance) C4'-P energy: -59.030
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -69.635
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -99.460
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: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1047.768756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.768756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.768756 (E_RNA)
where:
Base-Base interactions energy: -716.035
where: short stacking energy: -313.711
Base-Backbone interact. energy: 0.440
local terms energy: -332.173292
where:
bonds (distance) C4'-P energy: -63.418
bonds (distance) P-C4' energy: -64.149
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -94.104
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: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -960.584846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.584846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.584846 (E_RNA)
where:
Base-Base interactions energy: -680.459
where: short stacking energy: -289.105
Base-Backbone interact. energy: -0.759
local terms energy: -279.366961
where:
bonds (distance) C4'-P energy: -40.791
bonds (distance) P-C4' energy: -53.250
flat angles C4'-P-C4' energy: -66.485
flat angles P-C4'-P energy: -38.435
tors. eta vs tors. theta energy: -80.406
Dist. restrs. and SS energy: 0.000 (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: 373
Temperature: 1.100000
Total energy: -841.157857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.157857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.157857 (E_RNA)
where:
Base-Base interactions energy: -564.350
where: short stacking energy: -245.276
Base-Backbone interact. energy: -1.124
local terms energy: -275.684156
where:
bonds (distance) C4'-P energy: -59.366
bonds (distance) P-C4' energy: -51.252
flat angles C4'-P-C4' energy: -61.303
flat angles P-C4'-P energy: -40.805
tors. eta vs tors. theta energy: -62.958
Dist. restrs. and SS energy: 0.000 (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: 373
Temperature: 1.150000
Total energy: -854.329630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.329630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.329630 (E_RNA)
where:
Base-Base interactions energy: -595.645
where: short stacking energy: -282.363
Base-Backbone interact. energy: -1.740
local terms energy: -256.944673
where:
bonds (distance) C4'-P energy: -48.958
bonds (distance) P-C4' energy: -50.849
flat angles C4'-P-C4' energy: -56.657
flat angles P-C4'-P energy: -28.798
tors. eta vs tors. theta energy: -71.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -731.590281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.590281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.590281 (E_RNA)
where:
Base-Base interactions energy: -475.101
where: short stacking energy: -229.870
Base-Backbone interact. energy: 0.878
local terms energy: -257.367191
where:
bonds (distance) C4'-P energy: -44.487
bonds (distance) P-C4' energy: -49.238
flat angles C4'-P-C4' energy: -59.445
flat angles P-C4'-P energy: -42.389
tors. eta vs tors. theta energy: -61.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -617.017669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.017669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.017669 (E_RNA)
where:
Base-Base interactions energy: -394.792
where: short stacking energy: -166.181
Base-Backbone interact. energy: -1.120
local terms energy: -221.106056
where:
bonds (distance) C4'-P energy: -43.872
bonds (distance) P-C4' energy: -58.974
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: -28.352
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: 9, replica: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -690.967489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.967489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.967489 (E_RNA)
where:
Base-Base interactions energy: -441.164
where: short stacking energy: -191.966
Base-Backbone interact. energy: 1.209
local terms energy: -251.012331
where:
bonds (distance) C4'-P energy: -62.246
bonds (distance) P-C4' energy: -50.917
flat angles C4'-P-C4' energy: -64.895
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -43.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -382.506157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.506157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.506157 (E_RNA)
where:
Base-Base interactions energy: -191.768
where: short stacking energy: -101.513
Base-Backbone interact. energy: -0.330
local terms energy: -190.408214
where:
bonds (distance) C4'-P energy: -49.237
bonds (distance) P-C4' energy: -48.617
flat angles C4'-P-C4' energy: -55.225
flat angles P-C4'-P energy: -27.853
tors. eta vs tors. theta energy: -9.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1065.012362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.012362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.012362 (E_RNA)
where:
Base-Base interactions energy: -734.762
where: short stacking energy: -331.753
Base-Backbone interact. energy: -0.599
local terms energy: -329.651573
where:
bonds (distance) C4'-P energy: -59.832
bonds (distance) P-C4' energy: -63.384
flat angles C4'-P-C4' energy: -70.875
flat angles P-C4'-P energy: -46.368
tors. eta vs tors. theta energy: -89.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1051.444440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.444440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.444440 (E_RNA)
where:
Base-Base interactions energy: -736.535
where: short stacking energy: -311.875
Base-Backbone interact. energy: -0.613
local terms energy: -314.296378
where:
bonds (distance) C4'-P energy: -55.853
bonds (distance) P-C4' energy: -59.220
flat angles C4'-P-C4' energy: -67.817
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -88.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1050.323735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.323735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.323735 (E_RNA)
where:
Base-Base interactions energy: -720.183
where: short stacking energy: -319.080
Base-Backbone interact. energy: -0.766
local terms energy: -329.374415
where:
bonds (distance) C4'-P energy: -62.295
bonds (distance) P-C4' energy: -56.961
flat angles C4'-P-C4' energy: -62.110
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -99.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -928.047861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.047861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.047861 (E_RNA)
where:
Base-Base interactions energy: -642.296
where: short stacking energy: -267.231
Base-Backbone interact. energy: -0.903
local terms energy: -284.849503
where:
bonds (distance) C4'-P energy: -56.574
bonds (distance) P-C4' energy: -47.579
flat angles C4'-P-C4' energy: -61.725
flat angles P-C4'-P energy: -44.902
tors. eta vs tors. theta energy: -74.070
Dist. restrs. and SS energy: 0.000 (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: 374
Temperature: 1.100000
Total energy: -872.798721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.798721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.798721 (E_RNA)
where:
Base-Base interactions energy: -594.030
where: short stacking energy: -251.540
Base-Backbone interact. energy: -1.618
local terms energy: -277.150456
where:
bonds (distance) C4'-P energy: -60.121
bonds (distance) P-C4' energy: -57.764
flat angles C4'-P-C4' energy: -55.962
flat angles P-C4'-P energy: -34.179
tors. eta vs tors. theta energy: -69.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -848.051080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.051080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.051080 (E_RNA)
where:
Base-Base interactions energy: -582.006
where: short stacking energy: -267.043
Base-Backbone interact. energy: -2.196
local terms energy: -263.849116
where:
bonds (distance) C4'-P energy: -49.806
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -62.171
flat angles P-C4'-P energy: -40.184
tors. eta vs tors. theta energy: -63.776
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: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -711.818757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.818757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.818757 (E_RNA)
where:
Base-Base interactions energy: -471.542
where: short stacking energy: -204.417
Base-Backbone interact. energy: 0.178
local terms energy: -240.454836
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -60.061
flat angles C4'-P-C4' energy: -49.227
flat angles P-C4'-P energy: -40.154
tors. eta vs tors. theta energy: -42.853
Dist. restrs. and SS energy: 0.000 (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: 374
Temperature: 1.250000
Total energy: -617.704543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.704543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.704543 (E_RNA)
where:
Base-Base interactions energy: -387.844
where: short stacking energy: -191.060
Base-Backbone interact. energy: 1.718
local terms energy: -231.578969
where:
bonds (distance) C4'-P energy: -60.124
bonds (distance) P-C4' energy: -53.917
flat angles C4'-P-C4' energy: -49.166
flat angles P-C4'-P energy: -33.621
tors. eta vs tors. theta energy: -34.752
Dist. restrs. and SS energy: 0.000 (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: 374
Temperature: 1.300000
Total energy: -662.838478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.838478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.838478 (E_RNA)
where:
Base-Base interactions energy: -429.570
where: short stacking energy: -199.581
Base-Backbone interact. energy: -0.697
local terms energy: -232.571398
where:
bonds (distance) C4'-P energy: -51.455
bonds (distance) P-C4' energy: -45.705
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -46.886
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: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -353.274370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.274370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.274370 (E_RNA)
where:
Base-Base interactions energy: -168.603
where: short stacking energy: -104.784
Base-Backbone interact. energy: 2.463
local terms energy: -187.134468
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -42.344
flat angles P-C4'-P energy: -40.618
tors. eta vs tors. theta energy: 3.175
Dist. restrs. and SS energy: 0.000 (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: 375
Temperature: 0.900000
Total energy: -1071.648574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.648574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.648574 (E_RNA)
where:
Base-Base interactions energy: -744.378
where: short stacking energy: -338.757
Base-Backbone interact. energy: -0.075
local terms energy: -327.195239
where:
bonds (distance) C4'-P energy: -56.912
bonds (distance) P-C4' energy: -60.646
flat angles C4'-P-C4' energy: -67.620
flat angles P-C4'-P energy: -45.102
tors. eta vs tors. theta energy: -96.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1036.619467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.619467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.619467 (E_RNA)
where:
Base-Base interactions energy: -721.757
where: short stacking energy: -303.251
Base-Backbone interact. energy: -1.194
local terms energy: -313.669242
where:
bonds (distance) C4'-P energy: -55.660
bonds (distance) P-C4' energy: -60.891
flat angles C4'-P-C4' energy: -62.837
flat angles P-C4'-P energy: -49.851
tors. eta vs tors. theta energy: -84.431
Dist. restrs. and SS energy: 0.000 (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: 375
Temperature: 1.000000
Total energy: -1053.259425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.259425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.259425 (E_RNA)
where:
Base-Base interactions energy: -719.834
where: short stacking energy: -310.539
Base-Backbone interact. energy: -1.536
local terms energy: -331.889919
where:
bonds (distance) C4'-P energy: -55.803
bonds (distance) P-C4' energy: -71.901
flat angles C4'-P-C4' energy: -63.616
flat angles P-C4'-P energy: -43.547
tors. eta vs tors. theta energy: -97.023
Dist. restrs. and SS energy: 0.000 (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: 375
Temperature: 1.050000
Total energy: -923.954138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.954138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.954138 (E_RNA)
where:
Base-Base interactions energy: -629.716
where: short stacking energy: -273.594
Base-Backbone interact. energy: -0.961
local terms energy: -293.277233
where:
bonds (distance) C4'-P energy: -53.449
bonds (distance) P-C4' energy: -61.573
flat angles C4'-P-C4' energy: -58.575
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: -75.400
Dist. restrs. and SS energy: 0.000 (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: 375
Temperature: 1.100000
Total energy: -883.904936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.904936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.904936 (E_RNA)
where:
Base-Base interactions energy: -625.987
where: short stacking energy: -261.364
Base-Backbone interact. energy: -1.319
local terms energy: -256.598455
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -54.621
flat angles C4'-P-C4' energy: -54.790
flat angles P-C4'-P energy: -43.730
tors. eta vs tors. theta energy: -61.832
Dist. restrs. and SS energy: 0.000 (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: 375
Temperature: 1.150000
Total energy: -879.450717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.450717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.450717 (E_RNA)
where:
Base-Base interactions energy: -586.742
where: short stacking energy: -267.846
Base-Backbone interact. energy: -3.201
local terms energy: -289.507931
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -60.527
flat angles C4'-P-C4' energy: -66.475
flat angles P-C4'-P energy: -33.759
tors. eta vs tors. theta energy: -80.834
Dist. restrs. and SS energy: 0.000 (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: 375
Temperature: 1.200000
Total energy: -762.969925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.969925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.969925 (E_RNA)
where:
Base-Base interactions energy: -516.872
where: short stacking energy: -216.189
Base-Backbone interact. energy: -1.278
local terms energy: -244.820084
where:
bonds (distance) C4'-P energy: -48.998
bonds (distance) P-C4' energy: -47.255
flat angles C4'-P-C4' energy: -58.996
flat angles P-C4'-P energy: -39.433
tors. eta vs tors. theta energy: -50.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -685.786447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.786447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.786447 (E_RNA)
where:
Base-Base interactions energy: -453.197
where: short stacking energy: -195.507
Base-Backbone interact. energy: -0.505
local terms energy: -232.083959
where:
bonds (distance) C4'-P energy: -48.765
bonds (distance) P-C4' energy: -52.218
flat angles C4'-P-C4' energy: -47.029
flat angles P-C4'-P energy: -39.542
tors. eta vs tors. theta energy: -44.530
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: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -612.434547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.434547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.434547 (E_RNA)
where:
Base-Base interactions energy: -406.478
where: short stacking energy: -164.238
Base-Backbone interact. energy: -1.463
local terms energy: -204.493831
where:
bonds (distance) C4'-P energy: -50.832
bonds (distance) P-C4' energy: -43.535
flat angles C4'-P-C4' energy: -49.351
flat angles P-C4'-P energy: -34.420
tors. eta vs tors. theta energy: -26.356
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: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -380.699192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.699192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.699192 (E_RNA)
where:
Base-Base interactions energy: -212.372
where: short stacking energy: -116.623
Base-Backbone interact. energy: 1.488
local terms energy: -169.815573
where:
bonds (distance) C4'-P energy: -48.170
bonds (distance) P-C4' energy: -46.938
flat angles C4'-P-C4' energy: -41.699
flat angles P-C4'-P energy: -20.791
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1068.427215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.427215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.427215 (E_RNA)
where:
Base-Base interactions energy: -742.449
where: short stacking energy: -297.885
Base-Backbone interact. energy: -1.261
local terms energy: -324.717411
where:
bonds (distance) C4'-P energy: -55.090
bonds (distance) P-C4' energy: -68.556
flat angles C4'-P-C4' energy: -68.699
flat angles P-C4'-P energy: -48.217
tors. eta vs tors. theta energy: -84.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1043.713975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.713975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.713975 (E_RNA)
where:
Base-Base interactions energy: -720.716
where: short stacking energy: -335.054
Base-Backbone interact. energy: 0.497
local terms energy: -323.494632
where:
bonds (distance) C4'-P energy: -54.257
bonds (distance) P-C4' energy: -60.321
flat angles C4'-P-C4' energy: -63.714
flat angles P-C4'-P energy: -49.883
tors. eta vs tors. theta energy: -95.319
Dist. restrs. and SS energy: 0.000 (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: 376
Temperature: 1.000000
Total energy: -1041.881840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.881840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.881840 (E_RNA)
where:
Base-Base interactions energy: -737.231
where: short stacking energy: -321.880
Base-Backbone interact. energy: -0.253
local terms energy: -304.397920
where:
bonds (distance) C4'-P energy: -50.398
bonds (distance) P-C4' energy: -44.071
flat angles C4'-P-C4' energy: -61.301
flat angles P-C4'-P energy: -50.379
tors. eta vs tors. theta energy: -98.248
Dist. restrs. and SS energy: 0.000 (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: 376
Temperature: 1.050000
Total energy: -887.668086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.668086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.668086 (E_RNA)
where:
Base-Base interactions energy: -595.471
where: short stacking energy: -246.885
Base-Backbone interact. energy: -1.568
local terms energy: -290.629248
where:
bonds (distance) C4'-P energy: -59.294
bonds (distance) P-C4' energy: -59.445
flat angles C4'-P-C4' energy: -62.322
flat angles P-C4'-P energy: -37.093
tors. eta vs tors. theta energy: -72.475
Dist. restrs. and SS energy: 0.000 (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: 376
Temperature: 1.100000
Total energy: -893.131473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.131473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.131473 (E_RNA)
where:
Base-Base interactions energy: -602.864
where: short stacking energy: -274.417
Base-Backbone interact. energy: -0.116
local terms energy: -290.151834
where:
bonds (distance) C4'-P energy: -50.126
bonds (distance) P-C4' energy: -61.064
flat angles C4'-P-C4' energy: -64.263
flat angles P-C4'-P energy: -44.472
tors. eta vs tors. theta energy: -70.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -856.488327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.488327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.488327 (E_RNA)
where:
Base-Base interactions energy: -580.948
where: short stacking energy: -260.261
Base-Backbone interact. energy: 0.618
local terms energy: -276.158763
where:
bonds (distance) C4'-P energy: -57.767
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -53.274
flat angles P-C4'-P energy: -33.415
tors. eta vs tors. theta energy: -75.618
Dist. restrs. and SS energy: 0.000 (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: 376
Temperature: 1.200000
Total energy: -780.934188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.934188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.934188 (E_RNA)
where:
Base-Base interactions energy: -518.611
where: short stacking energy: -211.936
Base-Backbone interact. energy: -1.150
local terms energy: -261.173448
where:
bonds (distance) C4'-P energy: -50.944
bonds (distance) P-C4' energy: -53.812
flat angles C4'-P-C4' energy: -54.625
flat angles P-C4'-P energy: -42.986
tors. eta vs tors. theta energy: -58.807
Dist. restrs. and SS energy: 0.000 (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: -732.728503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.728503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.728503 (E_RNA)
where:
Base-Base interactions energy: -478.690
where: short stacking energy: -199.133
Base-Backbone interact. energy: -0.580
local terms energy: -253.458527
where:
bonds (distance) C4'-P energy: -54.212
bonds (distance) P-C4' energy: -63.269
flat angles C4'-P-C4' energy: -53.149
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: -56.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -648.782059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.782059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.782059 (E_RNA)
where:
Base-Base interactions energy: -429.070
where: short stacking energy: -190.344
Base-Backbone interact. energy: -0.807
local terms energy: -218.905138
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -51.552
flat angles C4'-P-C4' energy: -53.478
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.000 (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: 376
Temperature: 1.350000
Total energy: -371.523212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.523212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.523212 (E_RNA)
where:
Base-Base interactions energy: -188.439
where: short stacking energy: -114.640
Base-Backbone interact. energy: -1.072
local terms energy: -182.011920
where:
bonds (distance) C4'-P energy: -55.334
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -15.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1084.585086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.585086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.585086 (E_RNA)
where:
Base-Base interactions energy: -748.328
where: short stacking energy: -326.884
Base-Backbone interact. energy: -3.132
local terms energy: -333.124943
where:
bonds (distance) C4'-P energy: -58.628
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -68.460
flat angles P-C4'-P energy: -50.667
tors. eta vs tors. theta energy: -93.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1062.802480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.802480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.802480 (E_RNA)
where:
Base-Base interactions energy: -727.746
where: short stacking energy: -316.765
Base-Backbone interact. energy: -1.175
local terms energy: -333.881037
where:
bonds (distance) C4'-P energy: -52.042
bonds (distance) P-C4' energy: -67.192
flat angles C4'-P-C4' energy: -71.209
flat angles P-C4'-P energy: -51.004
tors. eta vs tors. theta energy: -92.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1036.175067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.175067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.175067 (E_RNA)
where:
Base-Base interactions energy: -717.587
where: short stacking energy: -321.559
Base-Backbone interact. energy: -1.152
local terms energy: -317.436601
where:
bonds (distance) C4'-P energy: -51.946
bonds (distance) P-C4' energy: -52.426
flat angles C4'-P-C4' energy: -68.745
flat angles P-C4'-P energy: -45.654
tors. eta vs tors. theta energy: -98.667
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: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -879.917276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.917276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.917276 (E_RNA)
where:
Base-Base interactions energy: -608.424
where: short stacking energy: -258.163
Base-Backbone interact. energy: -0.550
local terms energy: -270.943304
where:
bonds (distance) C4'-P energy: -46.530
bonds (distance) P-C4' energy: -60.485
flat angles C4'-P-C4' energy: -67.406
flat angles P-C4'-P energy: -30.270
tors. eta vs tors. theta energy: -66.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -853.179671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.179671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.179671 (E_RNA)
where:
Base-Base interactions energy: -579.446
where: short stacking energy: -238.771
Base-Backbone interact. energy: -4.135
local terms energy: -269.599334
where:
bonds (distance) C4'-P energy: -54.249
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -63.730
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -54.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -839.790112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.790112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.790112 (E_RNA)
where:
Base-Base interactions energy: -556.938
where: short stacking energy: -241.043
Base-Backbone interact. energy: 1.384
local terms energy: -284.235572
where:
bonds (distance) C4'-P energy: -51.004
bonds (distance) P-C4' energy: -64.359
flat angles C4'-P-C4' energy: -61.503
flat angles P-C4'-P energy: -41.844
tors. eta vs tors. theta energy: -65.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -815.636542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.636542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.636542 (E_RNA)
where:
Base-Base interactions energy: -558.427
where: short stacking energy: -232.524
Base-Backbone interact. energy: -1.316
local terms energy: -255.893867
where:
bonds (distance) C4'-P energy: -52.038
bonds (distance) P-C4' energy: -45.071
flat angles C4'-P-C4' energy: -61.759
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: -61.271
Dist. restrs. and SS energy: 0.000 (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: 377
Temperature: 1.250000
Total energy: -731.647362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.647362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.647362 (E_RNA)
where:
Base-Base interactions energy: -485.970
where: short stacking energy: -204.181
Base-Backbone interact. energy: 0.161
local terms energy: -245.837925
where:
bonds (distance) C4'-P energy: -44.705
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -61.556
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -46.023
Dist. restrs. and SS energy: 0.000 (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: 377
Temperature: 1.300000
Total energy: -643.019375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.019375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.019375 (E_RNA)
where:
Base-Base interactions energy: -418.533
where: short stacking energy: -180.269
Base-Backbone interact. energy: 0.727
local terms energy: -225.212950
where:
bonds (distance) C4'-P energy: -48.515
bonds (distance) P-C4' energy: -58.796
flat angles C4'-P-C4' energy: -59.331
flat angles P-C4'-P energy: -28.409
tors. eta vs tors. theta energy: -30.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -393.727724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.727724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.727724 (E_RNA)
where:
Base-Base interactions energy: -213.372
where: short stacking energy: -117.069
Base-Backbone interact. energy: -0.973
local terms energy: -179.382486
where:
bonds (distance) C4'-P energy: -57.196
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -39.258
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -9.864
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: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1098.824191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.824191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.824191 (E_RNA)
where:
Base-Base interactions energy: -747.819
where: short stacking energy: -329.100
Base-Backbone interact. energy: -0.602
local terms energy: -350.403119
where:
bonds (distance) C4'-P energy: -57.744
bonds (distance) P-C4' energy: -66.806
flat angles C4'-P-C4' energy: -74.133
flat angles P-C4'-P energy: -48.840
tors. eta vs tors. theta energy: -102.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1056.768590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.768590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.768590 (E_RNA)
where:
Base-Base interactions energy: -737.593
where: short stacking energy: -313.629
Base-Backbone interact. energy: -2.637
local terms energy: -316.538864
where:
bonds (distance) C4'-P energy: -49.354
bonds (distance) P-C4' energy: -61.812
flat angles C4'-P-C4' energy: -66.275
flat angles P-C4'-P energy: -45.766
tors. eta vs tors. theta energy: -93.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1028.014806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.014806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.014806 (E_RNA)
where:
Base-Base interactions energy: -696.498
where: short stacking energy: -308.444
Base-Backbone interact. energy: -0.291
local terms energy: -331.225631
where:
bonds (distance) C4'-P energy: -58.097
bonds (distance) P-C4' energy: -65.681
flat angles C4'-P-C4' energy: -67.728
flat angles P-C4'-P energy: -50.293
tors. eta vs tors. theta energy: -89.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -921.263410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.263410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.263410 (E_RNA)
where:
Base-Base interactions energy: -634.637
where: short stacking energy: -260.631
Base-Backbone interact. energy: -1.504
local terms energy: -285.122622
where:
bonds (distance) C4'-P energy: -51.494
bonds (distance) P-C4' energy: -64.845
flat angles C4'-P-C4' energy: -65.100
flat angles P-C4'-P energy: -36.450
tors. eta vs tors. theta energy: -67.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -846.239036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.239036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.239036 (E_RNA)
where:
Base-Base interactions energy: -571.190
where: short stacking energy: -245.904
Base-Backbone interact. energy: -1.190
local terms energy: -273.858837
where:
bonds (distance) C4'-P energy: -56.335
bonds (distance) P-C4' energy: -58.173
flat angles C4'-P-C4' energy: -51.611
flat angles P-C4'-P energy: -46.341
tors. eta vs tors. theta energy: -61.398
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: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -847.575325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.575325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.575325 (E_RNA)
where:
Base-Base interactions energy: -579.662
where: short stacking energy: -237.008
Base-Backbone interact. energy: -0.933
local terms energy: -266.980083
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -52.729
flat angles C4'-P-C4' energy: -56.968
flat angles P-C4'-P energy: -43.730
tors. eta vs tors. theta energy: -60.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -801.471864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.471864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.471864 (E_RNA)
where:
Base-Base interactions energy: -539.528
where: short stacking energy: -225.557
Base-Backbone interact. energy: 0.990
local terms energy: -262.933646
where:
bonds (distance) C4'-P energy: -61.339
bonds (distance) P-C4' energy: -53.088
flat angles C4'-P-C4' energy: -52.890
flat angles P-C4'-P energy: -41.417
tors. eta vs tors. theta energy: -54.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -712.656317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.656317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.656317 (E_RNA)
where:
Base-Base interactions energy: -466.298
where: short stacking energy: -197.857
Base-Backbone interact. energy: 1.245
local terms energy: -247.603798
where:
bonds (distance) C4'-P energy: -47.029
bonds (distance) P-C4' energy: -60.916
flat angles C4'-P-C4' energy: -58.371
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: -44.158
Dist. restrs. and SS energy: 0.000 (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: 378
Temperature: 1.300000
Total energy: -634.768001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.768001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.768001 (E_RNA)
where:
Base-Base interactions energy: -412.294
where: short stacking energy: -191.283
Base-Backbone interact. energy: -1.390
local terms energy: -221.084399
where:
bonds (distance) C4'-P energy: -50.697
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -49.951
flat angles P-C4'-P energy: -28.063
tors. eta vs tors. theta energy: -36.460
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: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -348.231176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.231176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.231176 (E_RNA)
where:
Base-Base interactions energy: -160.106
where: short stacking energy: -93.258
Base-Backbone interact. energy: -0.971
local terms energy: -187.154074
where:
bonds (distance) C4'-P energy: -50.194
bonds (distance) P-C4' energy: -54.747
flat angles C4'-P-C4' energy: -43.400
flat angles P-C4'-P energy: -31.856
tors. eta vs tors. theta energy: -6.957
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: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1074.283848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.283848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.283848 (E_RNA)
where:
Base-Base interactions energy: -741.297
where: short stacking energy: -306.680
Base-Backbone interact. energy: -3.228
local terms energy: -329.759392
where:
bonds (distance) C4'-P energy: -53.414
bonds (distance) P-C4' energy: -65.309
flat angles C4'-P-C4' energy: -67.813
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: -93.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1057.636519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.636519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.636519 (E_RNA)
where:
Base-Base interactions energy: -724.798
where: short stacking energy: -296.349
Base-Backbone interact. energy: -1.708
local terms energy: -331.130073
where:
bonds (distance) C4'-P energy: -66.733
bonds (distance) P-C4' energy: -61.247
flat angles C4'-P-C4' energy: -69.492
flat angles P-C4'-P energy: -44.895
tors. eta vs tors. theta energy: -88.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1033.126899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.126899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.126899 (E_RNA)
where:
Base-Base interactions energy: -707.785
where: short stacking energy: -300.588
Base-Backbone interact. energy: -0.958
local terms energy: -324.383912
where:
bonds (distance) C4'-P energy: -55.348
bonds (distance) P-C4' energy: -62.059
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -92.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -909.955483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.955483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.955483 (E_RNA)
where:
Base-Base interactions energy: -636.118
where: short stacking energy: -265.273
Base-Backbone interact. energy: -1.309
local terms energy: -272.528572
where:
bonds (distance) C4'-P energy: -57.772
bonds (distance) P-C4' energy: -50.564
flat angles C4'-P-C4' energy: -54.584
flat angles P-C4'-P energy: -42.110
tors. eta vs tors. theta energy: -67.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -831.162398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.162398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.162398 (E_RNA)
where:
Base-Base interactions energy: -584.094
where: short stacking energy: -248.997
Base-Backbone interact. energy: -0.257
local terms energy: -246.811241
where:
bonds (distance) C4'-P energy: -57.612
bonds (distance) P-C4' energy: -54.954
flat angles C4'-P-C4' energy: -47.794
flat angles P-C4'-P energy: -28.599
tors. eta vs tors. theta energy: -57.852
Dist. restrs. and SS energy: 0.000 (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: 379
Temperature: 1.150000
Total energy: -835.154428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.154428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.154428 (E_RNA)
where:
Base-Base interactions energy: -552.751
where: short stacking energy: -246.099
Base-Backbone interact. energy: -1.455
local terms energy: -280.948361
where:
bonds (distance) C4'-P energy: -54.912
bonds (distance) P-C4' energy: -46.492
flat angles C4'-P-C4' energy: -68.125
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -66.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -824.313146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.313146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.313146 (E_RNA)
where:
Base-Base interactions energy: -555.726
where: short stacking energy: -230.952
Base-Backbone interact. energy: 2.233
local terms energy: -270.819560
where:
bonds (distance) C4'-P energy: -48.161
bonds (distance) P-C4' energy: -64.881
flat angles C4'-P-C4' energy: -63.339
flat angles P-C4'-P energy: -38.656
tors. eta vs tors. theta energy: -55.782
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: 8, replica: 3
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -751.568647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.568647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.568647 (E_RNA)
where:
Base-Base interactions energy: -510.056
where: short stacking energy: -230.099
Base-Backbone interact. energy: -1.315
local terms energy: -240.197486
where:
bonds (distance) C4'-P energy: -48.357
bonds (distance) P-C4' energy: -58.903
flat angles C4'-P-C4' energy: -50.738
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -51.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -655.230025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.230025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.230025 (E_RNA)
where:
Base-Base interactions energy: -435.145
where: short stacking energy: -188.414
Base-Backbone interact. energy: -0.564
local terms energy: -219.521560
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -47.845
flat angles C4'-P-C4' energy: -54.766
flat angles P-C4'-P energy: -30.645
tors. eta vs tors. theta energy: -47.804
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: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -356.510241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.510241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.510241 (E_RNA)
where:
Base-Base interactions energy: -195.428
where: short stacking energy: -116.834
Base-Backbone interact. energy: -0.687
local terms energy: -160.395169
where:
bonds (distance) C4'-P energy: -29.102
bonds (distance) P-C4' energy: -48.845
flat angles C4'-P-C4' energy: -40.396
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1053.513963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.513963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.513963 (E_RNA)
where:
Base-Base interactions energy: -733.399
where: short stacking energy: -321.394
Base-Backbone interact. energy: -1.297
local terms energy: -318.818152
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -58.278
flat angles C4'-P-C4' energy: -66.882
flat angles P-C4'-P energy: -46.596
tors. eta vs tors. theta energy: -90.689
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: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1062.237551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.237551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.237551 (E_RNA)
where:
Base-Base interactions energy: -722.724
where: short stacking energy: -306.084
Base-Backbone interact. energy: -0.954
local terms energy: -338.560108
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -60.801
flat angles C4'-P-C4' energy: -71.116
flat angles P-C4'-P energy: -52.445
tors. eta vs tors. theta energy: -95.275
Dist. restrs. and SS energy: 0.000 (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: -1033.206538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.206538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.206538 (E_RNA)
where:
Base-Base interactions energy: -696.813
where: short stacking energy: -306.964
Base-Backbone interact. energy: -0.097
local terms energy: -336.297088
where:
bonds (distance) C4'-P energy: -67.678
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -72.252
flat angles P-C4'-P energy: -48.025
tors. eta vs tors. theta energy: -86.952
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: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -899.914257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.914257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.914257 (E_RNA)
where:
Base-Base interactions energy: -623.644
where: short stacking energy: -268.146
Base-Backbone interact. energy: -0.286
local terms energy: -275.984549
where:
bonds (distance) C4'-P energy: -56.928
bonds (distance) P-C4' energy: -52.329
flat angles C4'-P-C4' energy: -59.107
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -71.461
Dist. restrs. and SS energy: 0.000 (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: 380
Temperature: 1.100000
Total energy: -885.181962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.181962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.181962 (E_RNA)
where:
Base-Base interactions energy: -610.513
where: short stacking energy: -274.040
Base-Backbone interact. energy: -1.522
local terms energy: -273.147596
where:
bonds (distance) C4'-P energy: -48.933
bonds (distance) P-C4' energy: -56.871
flat angles C4'-P-C4' energy: -60.617
flat angles P-C4'-P energy: -34.554
tors. eta vs tors. theta energy: -72.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -827.197974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.197974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.197974 (E_RNA)
where:
Base-Base interactions energy: -558.469
where: short stacking energy: -243.437
Base-Backbone interact. energy: -2.032
local terms energy: -266.696672
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -45.937
flat angles C4'-P-C4' energy: -60.856
flat angles P-C4'-P energy: -36.746
tors. eta vs tors. theta energy: -71.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -825.380355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.380355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.380355 (E_RNA)
where:
Base-Base interactions energy: -544.386
where: short stacking energy: -224.880
Base-Backbone interact. energy: 0.575
local terms energy: -281.568488
where:
bonds (distance) C4'-P energy: -57.905
bonds (distance) P-C4' energy: -51.437
flat angles C4'-P-C4' energy: -64.191
flat angles P-C4'-P energy: -43.727
tors. eta vs tors. theta energy: -64.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -720.111350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.111350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.111350 (E_RNA)
where:
Base-Base interactions energy: -488.448
where: short stacking energy: -212.293
Base-Backbone interact. energy: -1.923
local terms energy: -229.740627
where:
bonds (distance) C4'-P energy: -42.467
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -48.567
flat angles P-C4'-P energy: -44.697
tors. eta vs tors. theta energy: -39.384
Dist. restrs. and SS energy: 0.000 (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: 380
Temperature: 1.300000
Total energy: -637.035087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.035087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.035087 (E_RNA)
where:
Base-Base interactions energy: -404.605
where: short stacking energy: -171.430
Base-Backbone interact. energy: 3.772
local terms energy: -236.201864
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -54.557
flat angles C4'-P-C4' energy: -53.507
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -33.196
Dist. restrs. and SS energy: 0.000 (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: 380
Temperature: 1.350000
Total energy: -375.875458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.875458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.875458 (E_RNA)
where:
Base-Base interactions energy: -199.127
where: short stacking energy: -119.336
Base-Backbone interact. energy: -0.808
local terms energy: -175.940314
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -53.973
flat angles C4'-P-C4' energy: -46.147
flat angles P-C4'-P energy: -29.314
tors. eta vs tors. theta energy: -9.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1056.846281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.846281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.846281 (E_RNA)
where:
Base-Base interactions energy: -733.407
where: short stacking energy: -313.502
Base-Backbone interact. energy: -1.368
local terms energy: -322.070736
where:
bonds (distance) C4'-P energy: -60.502
bonds (distance) P-C4' energy: -52.827
flat angles C4'-P-C4' energy: -70.765
flat angles P-C4'-P energy: -48.527
tors. eta vs tors. theta energy: -89.450
Dist. restrs. and SS energy: 0.000 (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: 381
Temperature: 0.950000
Total energy: -1045.633052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.633052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.633052 (E_RNA)
where:
Base-Base interactions energy: -721.875
where: short stacking energy: -313.346
Base-Backbone interact. energy: -0.242
local terms energy: -323.515901
where:
bonds (distance) C4'-P energy: -60.441
bonds (distance) P-C4' energy: -58.292
flat angles C4'-P-C4' energy: -64.853
flat angles P-C4'-P energy: -47.090
tors. eta vs tors. theta energy: -92.840
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: 3, replica: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1037.482226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.482226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.482226 (E_RNA)
where:
Base-Base interactions energy: -705.422
where: short stacking energy: -316.356
Base-Backbone interact. energy: -0.529
local terms energy: -331.531644
where:
bonds (distance) C4'-P energy: -63.509
bonds (distance) P-C4' energy: -57.639
flat angles C4'-P-C4' energy: -68.327
flat angles P-C4'-P energy: -48.108
tors. eta vs tors. theta energy: -93.949
Dist. restrs. and SS energy: 0.000 (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: 381
Temperature: 1.050000
Total energy: -881.718512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.718512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.718512 (E_RNA)
where:
Base-Base interactions energy: -591.060
where: short stacking energy: -259.082
Base-Backbone interact. energy: -3.726
local terms energy: -286.933022
where:
bonds (distance) C4'-P energy: -50.563
bonds (distance) P-C4' energy: -51.091
flat angles C4'-P-C4' energy: -68.906
flat angles P-C4'-P energy: -47.587
tors. eta vs tors. theta energy: -68.786
Dist. restrs. and SS energy: 0.000 (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: 381
Temperature: 1.100000
Total energy: -858.668596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.668596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.668596 (E_RNA)
where:
Base-Base interactions energy: -577.112
where: short stacking energy: -250.641
Base-Backbone interact. energy: -1.239
local terms energy: -280.317605
where:
bonds (distance) C4'-P energy: -55.561
bonds (distance) P-C4' energy: -57.348
flat angles C4'-P-C4' energy: -55.180
flat angles P-C4'-P energy: -45.997
tors. eta vs tors. theta energy: -66.232
Dist. restrs. and SS energy: 0.000 (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: 381
Temperature: 1.150000
Total energy: -840.673110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.673110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.673110 (E_RNA)
where:
Base-Base interactions energy: -565.776
where: short stacking energy: -254.360
Base-Backbone interact. energy: -0.607
local terms energy: -274.289785
where:
bonds (distance) C4'-P energy: -46.829
bonds (distance) P-C4' energy: -58.796
flat angles C4'-P-C4' energy: -58.139
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -70.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -828.837961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.837961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.837961 (E_RNA)
where:
Base-Base interactions energy: -578.356
where: short stacking energy: -250.031
Base-Backbone interact. energy: -1.711
local terms energy: -248.771174
where:
bonds (distance) C4'-P energy: -55.985
bonds (distance) P-C4' energy: -42.154
flat angles C4'-P-C4' energy: -61.554
flat angles P-C4'-P energy: -26.762
tors. eta vs tors. theta energy: -62.316
Dist. restrs. and SS energy: 0.000 (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: 381
Temperature: 1.250000
Total energy: -734.061438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.061438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.061438 (E_RNA)
where:
Base-Base interactions energy: -507.796
where: short stacking energy: -209.149
Base-Backbone interact. energy: 0.007
local terms energy: -226.272683
where:
bonds (distance) C4'-P energy: -45.679
bonds (distance) P-C4' energy: -50.532
flat angles C4'-P-C4' energy: -45.876
flat angles P-C4'-P energy: -41.550
tors. eta vs tors. theta energy: -42.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -655.277996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.277996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.277996 (E_RNA)
where:
Base-Base interactions energy: -424.603
where: short stacking energy: -204.704
Base-Backbone interact. energy: 1.985
local terms energy: -232.659973
where:
bonds (distance) C4'-P energy: -42.022
bonds (distance) P-C4' energy: -58.966
flat angles C4'-P-C4' energy: -56.067
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -42.759
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: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -376.665709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.665709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.665709 (E_RNA)
where:
Base-Base interactions energy: -178.199
where: short stacking energy: -99.517
Base-Backbone interact. energy: -0.646
local terms energy: -197.820301
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -54.919
flat angles C4'-P-C4' energy: -60.323
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1081.597757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.597757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.597757 (E_RNA)
where:
Base-Base interactions energy: -744.047
where: short stacking energy: -331.090
Base-Backbone interact. energy: 1.043
local terms energy: -338.593646
where:
bonds (distance) C4'-P energy: -53.352
bonds (distance) P-C4' energy: -68.856
flat angles C4'-P-C4' energy: -70.777
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -98.782
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: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1044.120610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.120610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.120610 (E_RNA)
where:
Base-Base interactions energy: -721.225
where: short stacking energy: -317.874
Base-Backbone interact. energy: -0.970
local terms energy: -321.925189
where:
bonds (distance) C4'-P energy: -49.044
bonds (distance) P-C4' energy: -67.832
flat angles C4'-P-C4' energy: -62.481
flat angles P-C4'-P energy: -54.338
tors. eta vs tors. theta energy: -88.230
Dist. restrs. and SS energy: 0.000 (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: 382
Temperature: 1.000000
Total energy: -1038.091307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.091307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.091307 (E_RNA)
where:
Base-Base interactions energy: -733.046
where: short stacking energy: -327.056
Base-Backbone interact. energy: -0.541
local terms energy: -304.503945
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -44.142
flat angles C4'-P-C4' energy: -62.891
flat angles P-C4'-P energy: -48.073
tors. eta vs tors. theta energy: -92.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -894.345381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.345381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.345381 (E_RNA)
where:
Base-Base interactions energy: -629.024
where: short stacking energy: -284.762
Base-Backbone interact. energy: -0.850
local terms energy: -264.471083
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -54.153
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: -79.409
Dist. restrs. and SS energy: 0.000 (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: 382
Temperature: 1.100000
Total energy: -884.031738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.031738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.031738 (E_RNA)
where:
Base-Base interactions energy: -588.570
where: short stacking energy: -265.066
Base-Backbone interact. energy: -2.077
local terms energy: -293.385225
where:
bonds (distance) C4'-P energy: -56.426
bonds (distance) P-C4' energy: -55.647
flat angles C4'-P-C4' energy: -57.556
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: -74.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -842.106312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.106312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.106312 (E_RNA)
where:
Base-Base interactions energy: -581.680
where: short stacking energy: -247.552
Base-Backbone interact. energy: -0.966
local terms energy: -259.460941
where:
bonds (distance) C4'-P energy: -49.330
bonds (distance) P-C4' energy: -49.868
flat angles C4'-P-C4' energy: -57.522
flat angles P-C4'-P energy: -45.873
tors. eta vs tors. theta energy: -56.867
Dist. restrs. and SS energy: 0.000 (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: 382
Temperature: 1.200000
Total energy: -819.736433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.736433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.736433 (E_RNA)
where:
Base-Base interactions energy: -561.161
where: short stacking energy: -248.621
Base-Backbone interact. energy: -0.459
local terms energy: -258.116389
where:
bonds (distance) C4'-P energy: -49.581
bonds (distance) P-C4' energy: -51.189
flat angles C4'-P-C4' energy: -53.491
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -65.687
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: 8, replica: 3
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -715.123019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.123019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.123019 (E_RNA)
where:
Base-Base interactions energy: -468.067
where: short stacking energy: -204.107
Base-Backbone interact. energy: -1.986
local terms energy: -245.069969
where:
bonds (distance) C4'-P energy: -36.661
bonds (distance) P-C4' energy: -64.453
flat angles C4'-P-C4' energy: -59.202
flat angles P-C4'-P energy: -36.164
tors. eta vs tors. theta energy: -48.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -678.678319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.678319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.678319 (E_RNA)
where:
Base-Base interactions energy: -426.317
where: short stacking energy: -191.184
Base-Backbone interact. energy: 0.663
local terms energy: -253.024045
where:
bonds (distance) C4'-P energy: -52.874
bonds (distance) P-C4' energy: -56.248
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -54.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -398.016375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.016375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.016375 (E_RNA)
where:
Base-Base interactions energy: -233.446
where: short stacking energy: -130.996
Base-Backbone interact. energy: 0.629
local terms energy: -165.199199
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -44.474
flat angles C4'-P-C4' energy: -33.504
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (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: 383
Temperature: 0.900000
Total energy: -1089.186928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.186928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.186928 (E_RNA)
where:
Base-Base interactions energy: -762.590
where: short stacking energy: -332.937
Base-Backbone interact. energy: -2.273
local terms energy: -324.323263
where:
bonds (distance) C4'-P energy: -60.577
bonds (distance) P-C4' energy: -54.004
flat angles C4'-P-C4' energy: -69.178
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -95.064
Dist. restrs. and SS energy: 0.000 (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: 383
Temperature: 0.950000
Total energy: -1044.435283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.435283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.435283 (E_RNA)
where:
Base-Base interactions energy: -717.819
where: short stacking energy: -319.679
Base-Backbone interact. energy: -2.097
local terms energy: -324.519113
where:
bonds (distance) C4'-P energy: -60.994
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -66.997
flat angles P-C4'-P energy: -42.711
tors. eta vs tors. theta energy: -91.901
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: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1032.949700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.949700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.949700 (E_RNA)
where:
Base-Base interactions energy: -727.911
where: short stacking energy: -331.668
Base-Backbone interact. energy: -1.269
local terms energy: -303.769871
where:
bonds (distance) C4'-P energy: -58.331
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -58.051
flat angles P-C4'-P energy: -37.482
tors. eta vs tors. theta energy: -93.192
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: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -908.643046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.643046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.643046 (E_RNA)
where:
Base-Base interactions energy: -623.570
where: short stacking energy: -282.364
Base-Backbone interact. energy: -1.403
local terms energy: -283.670759
where:
bonds (distance) C4'-P energy: -53.441
bonds (distance) P-C4' energy: -51.846
flat angles C4'-P-C4' energy: -65.583
flat angles P-C4'-P energy: -44.213
tors. eta vs tors. theta energy: -68.587
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: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -905.390734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.390734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.390734 (E_RNA)
where:
Base-Base interactions energy: -598.433
where: short stacking energy: -261.389
Base-Backbone interact. energy: -2.466
local terms energy: -304.491645
where:
bonds (distance) C4'-P energy: -59.279
bonds (distance) P-C4' energy: -72.957
flat angles C4'-P-C4' energy: -63.567
flat angles P-C4'-P energy: -38.484
tors. eta vs tors. theta energy: -70.205
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: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -838.416482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.416482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.416482 (E_RNA)
where:
Base-Base interactions energy: -569.863
where: short stacking energy: -253.418
Base-Backbone interact. energy: -0.410
local terms energy: -268.143294
where:
bonds (distance) C4'-P energy: -42.359
bonds (distance) P-C4' energy: -56.671
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -65.738
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: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -823.220162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.220162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.220162 (E_RNA)
where:
Base-Base interactions energy: -569.148
where: short stacking energy: -242.655
Base-Backbone interact. energy: -0.764
local terms energy: -253.308672
where:
bonds (distance) C4'-P energy: -42.357
bonds (distance) P-C4' energy: -45.716
flat angles C4'-P-C4' energy: -53.497
flat angles P-C4'-P energy: -37.877
tors. eta vs tors. theta energy: -73.861
Dist. restrs. and SS energy: 0.000 (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: 383
Temperature: 1.250000
Total energy: -744.270316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.270316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.270316 (E_RNA)
where:
Base-Base interactions energy: -497.215
where: short stacking energy: -232.188
Base-Backbone interact. energy: -0.366
local terms energy: -246.688591
where:
bonds (distance) C4'-P energy: -42.753
bonds (distance) P-C4' energy: -56.576
flat angles C4'-P-C4' energy: -61.742
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -53.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -642.188458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.188458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.188458 (E_RNA)
where:
Base-Base interactions energy: -418.730
where: short stacking energy: -183.799
Base-Backbone interact. energy: 0.795
local terms energy: -224.253124
where:
bonds (distance) C4'-P energy: -46.548
bonds (distance) P-C4' energy: -59.027
flat angles C4'-P-C4' energy: -50.182
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -37.694
Dist. restrs. and SS energy: 0.000 (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: 383
Temperature: 1.350000
Total energy: -380.071081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.071081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.071081 (E_RNA)
where:
Base-Base interactions energy: -188.026
where: short stacking energy: -109.041
Base-Backbone interact. energy: -0.777
local terms energy: -191.267408
where:
bonds (distance) C4'-P energy: -48.658
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -56.801
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1092.703559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.703559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.703559 (E_RNA)
where:
Base-Base interactions energy: -754.589
where: short stacking energy: -333.808
Base-Backbone interact. energy: -0.316
local terms energy: -337.798592
where:
bonds (distance) C4'-P energy: -56.056
bonds (distance) P-C4' energy: -55.567
flat angles C4'-P-C4' energy: -74.293
flat angles P-C4'-P energy: -52.803
tors. eta vs tors. theta energy: -99.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1044.942418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.942418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.942418 (E_RNA)
where:
Base-Base interactions energy: -727.717
where: short stacking energy: -331.245
Base-Backbone interact. energy: -1.018
local terms energy: -316.207691
where:
bonds (distance) C4'-P energy: -62.313
bonds (distance) P-C4' energy: -46.364
flat angles C4'-P-C4' energy: -68.506
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -98.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1042.587928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.587928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.587928 (E_RNA)
where:
Base-Base interactions energy: -722.752
where: short stacking energy: -317.369
Base-Backbone interact. energy: 0.897
local terms energy: -320.733329
where:
bonds (distance) C4'-P energy: -58.814
bonds (distance) P-C4' energy: -60.745
flat angles C4'-P-C4' energy: -61.405
flat angles P-C4'-P energy: -45.975
tors. eta vs tors. theta energy: -93.795
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: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -917.257136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.257136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.257136 (E_RNA)
where:
Base-Base interactions energy: -618.577
where: short stacking energy: -272.937
Base-Backbone interact. energy: -1.083
local terms energy: -297.597082
where:
bonds (distance) C4'-P energy: -56.554
bonds (distance) P-C4' energy: -59.548
flat angles C4'-P-C4' energy: -65.008
flat angles P-C4'-P energy: -32.133
tors. eta vs tors. theta energy: -84.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -858.088216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.088216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.088216 (E_RNA)
where:
Base-Base interactions energy: -582.584
where: short stacking energy: -257.909
Base-Backbone interact. energy: -1.586
local terms energy: -273.917979
where:
bonds (distance) C4'-P energy: -51.100
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -58.952
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -66.316
Dist. restrs. and SS energy: 0.000 (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: 384
Temperature: 1.150000
Total energy: -832.516574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.516574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.516574 (E_RNA)
where:
Base-Base interactions energy: -562.016
where: short stacking energy: -257.401
Base-Backbone interact. energy: -0.906
local terms energy: -269.594700
where:
bonds (distance) C4'-P energy: -43.440
bonds (distance) P-C4' energy: -54.878
flat angles C4'-P-C4' energy: -63.775
flat angles P-C4'-P energy: -40.519
tors. eta vs tors. theta energy: -66.982
Dist. restrs. and SS energy: 0.000 (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: 384
Temperature: 1.200000
Total energy: -774.407629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.407629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.407629 (E_RNA)
where:
Base-Base interactions energy: -543.904
where: short stacking energy: -210.082
Base-Backbone interact. energy: 0.425
local terms energy: -230.928385
where:
bonds (distance) C4'-P energy: -34.821
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -53.283
flat angles P-C4'-P energy: -29.132
tors. eta vs tors. theta energy: -52.261
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: 8, replica: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -709.339057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.339057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.339057 (E_RNA)
where:
Base-Base interactions energy: -469.721
where: short stacking energy: -193.970
Base-Backbone interact. energy: -0.946
local terms energy: -238.672589
where:
bonds (distance) C4'-P energy: -52.054
bonds (distance) P-C4' energy: -54.306
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: -42.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -644.024311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.024311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.024311 (E_RNA)
where:
Base-Base interactions energy: -431.736
where: short stacking energy: -184.978
Base-Backbone interact. energy: -0.384
local terms energy: -211.904728
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -56.579
flat angles C4'-P-C4' energy: -41.093
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -33.585
Dist. restrs. and SS energy: 0.000 (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: 384
Temperature: 1.350000
Total energy: -342.121027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.121027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.121027 (E_RNA)
where:
Base-Base interactions energy: -159.798
where: short stacking energy: -94.257
Base-Backbone interact. energy: -1.111
local terms energy: -181.211763
where:
bonds (distance) C4'-P energy: -46.384
bonds (distance) P-C4' energy: -54.599
flat angles C4'-P-C4' energy: -46.532
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: -5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1085.516621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.516621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.516621 (E_RNA)
where:
Base-Base interactions energy: -749.587
where: short stacking energy: -318.030
Base-Backbone interact. energy: -1.167
local terms energy: -334.762693
where:
bonds (distance) C4'-P energy: -62.094
bonds (distance) P-C4' energy: -68.978
flat angles C4'-P-C4' energy: -64.318
flat angles P-C4'-P energy: -41.897
tors. eta vs tors. theta energy: -97.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1071.636685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.636685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.636685 (E_RNA)
where:
Base-Base interactions energy: -733.766
where: short stacking energy: -320.248
Base-Backbone interact. energy: -0.452
local terms energy: -337.418636
where:
bonds (distance) C4'-P energy: -56.488
bonds (distance) P-C4' energy: -68.302
flat angles C4'-P-C4' energy: -63.352
flat angles P-C4'-P energy: -51.076
tors. eta vs tors. theta energy: -98.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1035.737829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.737829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.737829 (E_RNA)
where:
Base-Base interactions energy: -707.637
where: short stacking energy: -313.873
Base-Backbone interact. energy: -1.744
local terms energy: -326.357233
where:
bonds (distance) C4'-P energy: -51.774
bonds (distance) P-C4' energy: -65.601
flat angles C4'-P-C4' energy: -64.188
flat angles P-C4'-P energy: -52.989
tors. eta vs tors. theta energy: -91.805
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: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -945.408755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.408755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.408755 (E_RNA)
where:
Base-Base interactions energy: -658.460
where: short stacking energy: -264.448
Base-Backbone interact. energy: -2.912
local terms energy: -284.035995
where:
bonds (distance) C4'-P energy: -51.605
bonds (distance) P-C4' energy: -64.995
flat angles C4'-P-C4' energy: -60.682
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -70.342
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: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -860.171189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.171189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.171189 (E_RNA)
where:
Base-Base interactions energy: -574.217
where: short stacking energy: -266.690
Base-Backbone interact. energy: 0.461
local terms energy: -286.415013
where:
bonds (distance) C4'-P energy: -58.022
bonds (distance) P-C4' energy: -65.300
flat angles C4'-P-C4' energy: -63.129
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -66.258
Dist. restrs. and SS energy: 0.000 (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: 385
Temperature: 1.150000
Total energy: -828.974777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.974777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.974777 (E_RNA)
where:
Base-Base interactions energy: -550.217
where: short stacking energy: -245.368
Base-Backbone interact. energy: -1.347
local terms energy: -277.411400
where:
bonds (distance) C4'-P energy: -50.230
bonds (distance) P-C4' energy: -59.930
flat angles C4'-P-C4' energy: -55.594
flat angles P-C4'-P energy: -43.773
tors. eta vs tors. theta energy: -67.884
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: 7, replica: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -799.698633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.698633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.698633 (E_RNA)
where:
Base-Base interactions energy: -541.358
where: short stacking energy: -226.599
Base-Backbone interact. energy: -1.859
local terms energy: -256.482154
where:
bonds (distance) C4'-P energy: -50.632
bonds (distance) P-C4' energy: -60.949
flat angles C4'-P-C4' energy: -54.691
flat angles P-C4'-P energy: -38.787
tors. eta vs tors. theta energy: -51.423
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: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -727.634300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.634300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.634300 (E_RNA)
where:
Base-Base interactions energy: -476.749
where: short stacking energy: -209.490
Base-Backbone interact. energy: -0.873
local terms energy: -250.012854
where:
bonds (distance) C4'-P energy: -58.181
bonds (distance) P-C4' energy: -47.097
flat angles C4'-P-C4' energy: -55.566
flat angles P-C4'-P energy: -37.877
tors. eta vs tors. theta energy: -51.291
Dist. restrs. and SS energy: 0.000 (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: 385
Temperature: 1.300000
Total energy: -690.395780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.395780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.395780 (E_RNA)
where:
Base-Base interactions energy: -446.092
where: short stacking energy: -200.862
Base-Backbone interact. energy: -2.247
local terms energy: -242.057213
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -54.619
flat angles C4'-P-C4' energy: -53.881
flat angles P-C4'-P energy: -33.251
tors. eta vs tors. theta energy: -45.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -349.071893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.071893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.071893 (E_RNA)
where:
Base-Base interactions energy: -168.350
where: short stacking energy: -101.410
Base-Backbone interact. energy: 0.380
local terms energy: -181.102113
where:
bonds (distance) C4'-P energy: -50.987
bonds (distance) P-C4' energy: -55.652
flat angles C4'-P-C4' energy: -50.665
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -1.320
Dist. restrs. and SS energy: 0.000 (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: 386
Temperature: 0.900000
Total energy: -1092.618519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.618519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.618519 (E_RNA)
where:
Base-Base interactions energy: -740.470
where: short stacking energy: -346.371
Base-Backbone interact. energy: -0.123
local terms energy: -352.024998
where:
bonds (distance) C4'-P energy: -61.490
bonds (distance) P-C4' energy: -64.769
flat angles C4'-P-C4' energy: -74.370
flat angles P-C4'-P energy: -49.129
tors. eta vs tors. theta energy: -102.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1048.434109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.434109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.434109 (E_RNA)
where:
Base-Base interactions energy: -731.974
where: short stacking energy: -313.308
Base-Backbone interact. energy: -2.853
local terms energy: -313.606703
where:
bonds (distance) C4'-P energy: -57.940
bonds (distance) P-C4' energy: -58.702
flat angles C4'-P-C4' energy: -62.668
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -97.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -970.204244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.204244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.204244 (E_RNA)
where:
Base-Base interactions energy: -661.063
where: short stacking energy: -274.230
Base-Backbone interact. energy: -1.385
local terms energy: -307.755871
where:
bonds (distance) C4'-P energy: -57.141
bonds (distance) P-C4' energy: -72.285
flat angles C4'-P-C4' energy: -59.917
flat angles P-C4'-P energy: -42.736
tors. eta vs tors. theta energy: -75.677
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: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -991.149401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.149401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.149401 (E_RNA)
where:
Base-Base interactions energy: -678.305
where: short stacking energy: -294.861
Base-Backbone interact. energy: -0.195
local terms energy: -312.649170
where:
bonds (distance) C4'-P energy: -60.379
bonds (distance) P-C4' energy: -49.033
flat angles C4'-P-C4' energy: -68.297
flat angles P-C4'-P energy: -45.342
tors. eta vs tors. theta energy: -89.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -908.029564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.029564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.029564 (E_RNA)
where:
Base-Base interactions energy: -624.900
where: short stacking energy: -270.424
Base-Backbone interact. energy: -2.696
local terms energy: -280.433364
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -58.537
flat angles C4'-P-C4' energy: -59.935
flat angles P-C4'-P energy: -32.705
tors. eta vs tors. theta energy: -69.546
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: 6, replica: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -828.904607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.904607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.904607 (E_RNA)
where:
Base-Base interactions energy: -554.085
where: short stacking energy: -244.118
Base-Backbone interact. energy: -1.271
local terms energy: -273.549166
where:
bonds (distance) C4'-P energy: -54.920
bonds (distance) P-C4' energy: -66.291
flat angles C4'-P-C4' energy: -50.705
flat angles P-C4'-P energy: -39.846
tors. eta vs tors. theta energy: -61.786
Dist. restrs. and SS energy: 0.000 (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: 386
Temperature: 1.200000
Total energy: -773.266781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.266781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.266781 (E_RNA)
where:
Base-Base interactions energy: -520.136
where: short stacking energy: -235.978
Base-Backbone interact. energy: 1.147
local terms energy: -254.277656
where:
bonds (distance) C4'-P energy: -47.545
bonds (distance) P-C4' energy: -47.248
flat angles C4'-P-C4' energy: -57.259
flat angles P-C4'-P energy: -38.381
tors. eta vs tors. theta energy: -63.846
Dist. restrs. and SS energy: 0.000 (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: 386
Temperature: 1.250000
Total energy: -776.443664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.443664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.443664 (E_RNA)
where:
Base-Base interactions energy: -525.203
where: short stacking energy: -232.612
Base-Backbone interact. energy: -0.330
local terms energy: -250.909831
where:
bonds (distance) C4'-P energy: -47.437
bonds (distance) P-C4' energy: -42.280
flat angles C4'-P-C4' energy: -61.973
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -57.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -648.525424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.525424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.525424 (E_RNA)
where:
Base-Base interactions energy: -425.739
where: short stacking energy: -180.754
Base-Backbone interact. energy: 0.091
local terms energy: -222.877722
where:
bonds (distance) C4'-P energy: -44.271
bonds (distance) P-C4' energy: -57.506
flat angles C4'-P-C4' energy: -42.653
flat angles P-C4'-P energy: -34.369
tors. eta vs tors. theta energy: -44.078
Dist. restrs. and SS energy: 0.000 (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: 386
Temperature: 1.350000
Total energy: -369.893558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.893558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.893558 (E_RNA)
where:
Base-Base interactions energy: -208.678
where: short stacking energy: -126.069
Base-Backbone interact. energy: -2.054
local terms energy: -159.162151
where:
bonds (distance) C4'-P energy: -58.133
bonds (distance) P-C4' energy: -52.953
flat angles C4'-P-C4' energy: -44.730
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: 4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1076.119304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.119304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.119304 (E_RNA)
where:
Base-Base interactions energy: -745.868
where: short stacking energy: -342.706
Base-Backbone interact. energy: 0.294
local terms energy: -330.545514
where:
bonds (distance) C4'-P energy: -62.548
bonds (distance) P-C4' energy: -49.340
flat angles C4'-P-C4' energy: -68.966
flat angles P-C4'-P energy: -46.013
tors. eta vs tors. theta energy: -103.677
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: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1078.312315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.312315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.312315 (E_RNA)
where:
Base-Base interactions energy: -739.352
where: short stacking energy: -323.014
Base-Backbone interact. energy: -2.034
local terms energy: -336.926739
where:
bonds (distance) C4'-P energy: -63.737
bonds (distance) P-C4' energy: -56.587
flat angles C4'-P-C4' energy: -70.904
flat angles P-C4'-P energy: -46.348
tors. eta vs tors. theta energy: -99.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -954.995616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.995616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.995616 (E_RNA)
where:
Base-Base interactions energy: -653.936
where: short stacking energy: -291.378
Base-Backbone interact. energy: -0.919
local terms energy: -300.140454
where:
bonds (distance) C4'-P energy: -55.737
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -62.706
flat angles P-C4'-P energy: -42.673
tors. eta vs tors. theta energy: -81.784
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: 4, replica: 10
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -997.116654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.116654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.116654 (E_RNA)
where:
Base-Base interactions energy: -680.189
where: short stacking energy: -287.591
Base-Backbone interact. energy: -1.499
local terms energy: -315.428898
where:
bonds (distance) C4'-P energy: -66.451
bonds (distance) P-C4' energy: -57.970
flat angles C4'-P-C4' energy: -72.441
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -81.174
Dist. restrs. and SS energy: 0.000 (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: 387
Temperature: 1.100000
Total energy: -865.001040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.001040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.001040 (E_RNA)
where:
Base-Base interactions energy: -594.307
where: short stacking energy: -256.080
Base-Backbone interact. energy: -1.795
local terms energy: -268.899678
where:
bonds (distance) C4'-P energy: -46.731
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -63.978
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -61.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -844.630477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.630477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.630477 (E_RNA)
where:
Base-Base interactions energy: -570.047
where: short stacking energy: -249.656
Base-Backbone interact. energy: -0.363
local terms energy: -274.220459
where:
bonds (distance) C4'-P energy: -42.877
bonds (distance) P-C4' energy: -56.311
flat angles C4'-P-C4' energy: -59.689
flat angles P-C4'-P energy: -50.591
tors. eta vs tors. theta energy: -64.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -738.951351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.951351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.951351 (E_RNA)
where:
Base-Base interactions energy: -488.201
where: short stacking energy: -227.490
Base-Backbone interact. energy: -0.907
local terms energy: -249.843219
where:
bonds (distance) C4'-P energy: -48.649
bonds (distance) P-C4' energy: -51.712
flat angles C4'-P-C4' energy: -53.348
flat angles P-C4'-P energy: -38.390
tors. eta vs tors. theta energy: -57.744
Dist. restrs. and SS energy: 0.000 (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: 387
Temperature: 1.250000
Total energy: -736.518787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.518787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.518787 (E_RNA)
where:
Base-Base interactions energy: -492.528
where: short stacking energy: -206.956
Base-Backbone interact. energy: -0.687
local terms energy: -243.304267
where:
bonds (distance) C4'-P energy: -53.500
bonds (distance) P-C4' energy: -46.362
flat angles C4'-P-C4' energy: -46.307
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -61.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -647.894925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.894925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.894925 (E_RNA)
where:
Base-Base interactions energy: -445.689
where: short stacking energy: -183.836
Base-Backbone interact. energy: -0.980
local terms energy: -201.225352
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -38.583
flat angles C4'-P-C4' energy: -57.190
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -38.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -392.771046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.771046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.771046 (E_RNA)
where:
Base-Base interactions energy: -201.181
where: short stacking energy: -113.870
Base-Backbone interact. energy: -0.312
local terms energy: -191.277935
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -41.749
flat angles C4'-P-C4' energy: -52.065
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1093.097178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.097178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.097178 (E_RNA)
where:
Base-Base interactions energy: -750.772
where: short stacking energy: -330.628
Base-Backbone interact. energy: 0.096
local terms energy: -342.420949
where:
bonds (distance) C4'-P energy: -67.151
bonds (distance) P-C4' energy: -63.261
flat angles C4'-P-C4' energy: -66.410
flat angles P-C4'-P energy: -51.989
tors. eta vs tors. theta energy: -93.610
Dist. restrs. and SS energy: 0.000 (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: 388
Temperature: 0.950000
Total energy: -1053.813480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.813480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.813480 (E_RNA)
where:
Base-Base interactions energy: -724.564
where: short stacking energy: -316.134
Base-Backbone interact. energy: -0.917
local terms energy: -328.332673
where:
bonds (distance) C4'-P energy: -66.533
bonds (distance) P-C4' energy: -52.826
flat angles C4'-P-C4' energy: -70.706
flat angles P-C4'-P energy: -41.183
tors. eta vs tors. theta energy: -97.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1026.801886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.801886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.801886 (E_RNA)
where:
Base-Base interactions energy: -695.484
where: short stacking energy: -308.556
Base-Backbone interact. energy: -0.127
local terms energy: -331.190212
where:
bonds (distance) C4'-P energy: -69.482
bonds (distance) P-C4' energy: -49.903
flat angles C4'-P-C4' energy: -66.080
flat angles P-C4'-P energy: -51.079
tors. eta vs tors. theta energy: -94.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -993.924535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.924535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.924535 (E_RNA)
where:
Base-Base interactions energy: -689.859
where: short stacking energy: -294.434
Base-Backbone interact. energy: -2.511
local terms energy: -301.554855
where:
bonds (distance) C4'-P energy: -61.071
bonds (distance) P-C4' energy: -48.830
flat angles C4'-P-C4' energy: -64.575
flat angles P-C4'-P energy: -44.006
tors. eta vs tors. theta energy: -83.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -885.095735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.095735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.095735 (E_RNA)
where:
Base-Base interactions energy: -605.154
where: short stacking energy: -260.099
Base-Backbone interact. energy: 0.020
local terms energy: -279.962084
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -61.753
flat angles C4'-P-C4' energy: -65.442
flat angles P-C4'-P energy: -41.119
tors. eta vs tors. theta energy: -57.865
Dist. restrs. and SS energy: 0.000 (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: 388
Temperature: 1.150000
Total energy: -817.339387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.339387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.339387 (E_RNA)
where:
Base-Base interactions energy: -553.910
where: short stacking energy: -238.707
Base-Backbone interact. energy: 2.403
local terms energy: -265.831740
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -43.428
flat angles C4'-P-C4' energy: -67.979
flat angles P-C4'-P energy: -39.962
tors. eta vs tors. theta energy: -63.805
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: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -790.964676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.964676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.964676 (E_RNA)
where:
Base-Base interactions energy: -523.754
where: short stacking energy: -236.563
Base-Backbone interact. energy: -0.462
local terms energy: -266.749004
where:
bonds (distance) C4'-P energy: -58.147
bonds (distance) P-C4' energy: -58.431
flat angles C4'-P-C4' energy: -59.973
flat angles P-C4'-P energy: -37.677
tors. eta vs tors. theta energy: -52.521
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: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -663.904112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.904112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.904112 (E_RNA)
where:
Base-Base interactions energy: -429.296
where: short stacking energy: -183.980
Base-Backbone interact. energy: -1.690
local terms energy: -232.918346
where:
bonds (distance) C4'-P energy: -62.250
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -51.506
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (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: 388
Temperature: 1.300000
Total energy: -640.078561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.078561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.078561 (E_RNA)
where:
Base-Base interactions energy: -430.867
where: short stacking energy: -190.660
Base-Backbone interact. energy: -0.487
local terms energy: -208.724766
where:
bonds (distance) C4'-P energy: -50.047
bonds (distance) P-C4' energy: -45.739
flat angles C4'-P-C4' energy: -44.549
flat angles P-C4'-P energy: -27.628
tors. eta vs tors. theta energy: -40.762
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: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -378.102033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.102033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.102033 (E_RNA)
where:
Base-Base interactions energy: -204.969
where: short stacking energy: -99.283
Base-Backbone interact. energy: -0.953
local terms energy: -172.180320
where:
bonds (distance) C4'-P energy: -49.058
bonds (distance) P-C4' energy: -49.443
flat angles C4'-P-C4' energy: -45.026
flat angles P-C4'-P energy: -26.979
tors. eta vs tors. theta energy: -1.674
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: 1, replica: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1060.080550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.080550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.080550 (E_RNA)
where:
Base-Base interactions energy: -737.284
where: short stacking energy: -327.561
Base-Backbone interact. energy: -1.035
local terms energy: -321.761486
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -60.653
flat angles C4'-P-C4' energy: -72.302
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -93.536
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: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1077.134966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.134966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.134966 (E_RNA)
where:
Base-Base interactions energy: -727.758
where: short stacking energy: -327.289
Base-Backbone interact. energy: -1.951
local terms energy: -347.426549
where:
bonds (distance) C4'-P energy: -65.105
bonds (distance) P-C4' energy: -59.308
flat angles C4'-P-C4' energy: -73.477
flat angles P-C4'-P energy: -49.337
tors. eta vs tors. theta energy: -100.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1012.078108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.078108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.078108 (E_RNA)
where:
Base-Base interactions energy: -687.414
where: short stacking energy: -288.245
Base-Backbone interact. energy: -0.223
local terms energy: -324.441082
where:
bonds (distance) C4'-P energy: -57.971
bonds (distance) P-C4' energy: -54.227
flat angles C4'-P-C4' energy: -70.106
flat angles P-C4'-P energy: -51.944
tors. eta vs tors. theta energy: -90.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -978.469938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.469938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.469938 (E_RNA)
where:
Base-Base interactions energy: -684.986
where: short stacking energy: -301.859
Base-Backbone interact. energy: -0.676
local terms energy: -292.808681
where:
bonds (distance) C4'-P energy: -51.830
bonds (distance) P-C4' energy: -54.143
flat angles C4'-P-C4' energy: -63.064
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -85.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -878.981001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.981001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.981001 (E_RNA)
where:
Base-Base interactions energy: -605.369
where: short stacking energy: -260.547
Base-Backbone interact. energy: 0.339
local terms energy: -273.951099
where:
bonds (distance) C4'-P energy: -51.957
bonds (distance) P-C4' energy: -60.120
flat angles C4'-P-C4' energy: -60.493
flat angles P-C4'-P energy: -31.366
tors. eta vs tors. theta energy: -70.015
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: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -833.475295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.475295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.475295 (E_RNA)
where:
Base-Base interactions energy: -554.808
where: short stacking energy: -241.543
Base-Backbone interact. energy: -3.298
local terms energy: -275.369691
where:
bonds (distance) C4'-P energy: -57.469
bonds (distance) P-C4' energy: -50.117
flat angles C4'-P-C4' energy: -63.842
flat angles P-C4'-P energy: -41.253
tors. eta vs tors. theta energy: -62.689
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: 7, replica: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -770.949255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.949255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.949255 (E_RNA)
where:
Base-Base interactions energy: -507.923
where: short stacking energy: -203.271
Base-Backbone interact. energy: -0.735
local terms energy: -262.292015
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -56.964
flat angles C4'-P-C4' energy: -56.296
flat angles P-C4'-P energy: -40.166
tors. eta vs tors. theta energy: -54.913
Dist. restrs. and SS energy: 0.000 (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: 389
Temperature: 1.250000
Total energy: -670.790173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.790173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.790173 (E_RNA)
where:
Base-Base interactions energy: -429.293
where: short stacking energy: -191.316
Base-Backbone interact. energy: -0.728
local terms energy: -240.769267
where:
bonds (distance) C4'-P energy: -54.380
bonds (distance) P-C4' energy: -56.899
flat angles C4'-P-C4' energy: -48.922
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -48.957
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: 9, replica: 2
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -630.578705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.578705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.578705 (E_RNA)
where:
Base-Base interactions energy: -400.578
where: short stacking energy: -166.690
Base-Backbone interact. energy: -2.276
local terms energy: -227.724041
where:
bonds (distance) C4'-P energy: -43.095
bonds (distance) P-C4' energy: -50.135
flat angles C4'-P-C4' energy: -54.735
flat angles P-C4'-P energy: -41.792
tors. eta vs tors. theta energy: -37.966
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: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -370.353209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.353209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.353209 (E_RNA)
where:
Base-Base interactions energy: -189.669
where: short stacking energy: -112.999
Base-Backbone interact. energy: -2.117
local terms energy: -178.566952
where:
bonds (distance) C4'-P energy: -47.154
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -32.639
flat angles P-C4'-P energy: -32.351
tors. eta vs tors. theta energy: -13.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1067.909247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.909247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.909247 (E_RNA)
where:
Base-Base interactions energy: -746.585
where: short stacking energy: -315.968
Base-Backbone interact. energy: -2.499
local terms energy: -318.825401
where:
bonds (distance) C4'-P energy: -53.129
bonds (distance) P-C4' energy: -63.180
flat angles C4'-P-C4' energy: -62.480
flat angles P-C4'-P energy: -55.295
tors. eta vs tors. theta energy: -84.741
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: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1056.388638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.388638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.388638 (E_RNA)
where:
Base-Base interactions energy: -715.579
where: short stacking energy: -326.982
Base-Backbone interact. energy: 0.332
local terms energy: -341.141115
where:
bonds (distance) C4'-P energy: -59.212
bonds (distance) P-C4' energy: -63.194
flat angles C4'-P-C4' energy: -73.253
flat angles P-C4'-P energy: -44.628
tors. eta vs tors. theta energy: -100.854
Dist. restrs. and SS energy: 0.000 (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: 390
Temperature: 1.000000
Total energy: -1015.426076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.426076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.426076 (E_RNA)
where:
Base-Base interactions energy: -717.146
where: short stacking energy: -300.566
Base-Backbone interact. energy: -0.413
local terms energy: -297.867227
where:
bonds (distance) C4'-P energy: -47.355
bonds (distance) P-C4' energy: -57.003
flat angles C4'-P-C4' energy: -64.299
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -88.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -977.065005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.065005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.065005 (E_RNA)
where:
Base-Base interactions energy: -689.676
where: short stacking energy: -284.080
Base-Backbone interact. energy: 0.421
local terms energy: -287.809995
where:
bonds (distance) C4'-P energy: -56.672
bonds (distance) P-C4' energy: -56.847
flat angles C4'-P-C4' energy: -62.389
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -72.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -863.144077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.144077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.144077 (E_RNA)
where:
Base-Base interactions energy: -586.455
where: short stacking energy: -254.851
Base-Backbone interact. energy: -2.042
local terms energy: -274.647024
where:
bonds (distance) C4'-P energy: -55.676
bonds (distance) P-C4' energy: -58.989
flat angles C4'-P-C4' energy: -61.552
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -66.196
Dist. restrs. and SS energy: 0.000 (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: 390
Temperature: 1.150000
Total energy: -840.917659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.917659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.917659 (E_RNA)
where:
Base-Base interactions energy: -585.707
where: short stacking energy: -266.628
Base-Backbone interact. energy: -0.717
local terms energy: -254.494035
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -55.099
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -61.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -763.155878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.155878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.155878 (E_RNA)
where:
Base-Base interactions energy: -512.682
where: short stacking energy: -236.648
Base-Backbone interact. energy: -3.201
local terms energy: -247.273602
where:
bonds (distance) C4'-P energy: -47.844
bonds (distance) P-C4' energy: -58.742
flat angles C4'-P-C4' energy: -51.450
flat angles P-C4'-P energy: -33.511
tors. eta vs tors. theta energy: -55.726
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: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -663.440213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.440213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.440213 (E_RNA)
where:
Base-Base interactions energy: -440.397
where: short stacking energy: -204.137
Base-Backbone interact. energy: 1.028
local terms energy: -224.070725
where:
bonds (distance) C4'-P energy: -36.587
bonds (distance) P-C4' energy: -57.645
flat angles C4'-P-C4' energy: -59.395
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -38.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -605.783892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.783892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.783892 (E_RNA)
where:
Base-Base interactions energy: -389.215
where: short stacking energy: -176.508
Base-Backbone interact. energy: -2.864
local terms energy: -213.705521
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -50.811
flat angles C4'-P-C4' energy: -49.685
flat angles P-C4'-P energy: -39.005
tors. eta vs tors. theta energy: -27.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -393.277049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.277049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.277049 (E_RNA)
where:
Base-Base interactions energy: -215.903
where: short stacking energy: -116.213
Base-Backbone interact. energy: -0.149
local terms energy: -177.225086
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -51.195
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -25.985
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1070.098423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.098423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.098423 (E_RNA)
where:
Base-Base interactions energy: -728.632
where: short stacking energy: -320.059
Base-Backbone interact. energy: -3.271
local terms energy: -338.196015
where:
bonds (distance) C4'-P energy: -57.326
bonds (distance) P-C4' energy: -57.257
flat angles C4'-P-C4' energy: -72.704
flat angles P-C4'-P energy: -57.144
tors. eta vs tors. theta energy: -93.765
Dist. restrs. and SS energy: 0.000 (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: 391
Temperature: 0.950000
Total energy: -1060.264701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.264701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.264701 (E_RNA)
where:
Base-Base interactions energy: -749.096
where: short stacking energy: -328.733
Base-Backbone interact. energy: -1.469
local terms energy: -309.698970
where:
bonds (distance) C4'-P energy: -61.064
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -66.490
flat angles P-C4'-P energy: -39.983
tors. eta vs tors. theta energy: -89.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1026.694528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.694528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.694528 (E_RNA)
where:
Base-Base interactions energy: -716.638
where: short stacking energy: -332.979
Base-Backbone interact. energy: -0.687
local terms energy: -309.369817
where:
bonds (distance) C4'-P energy: -47.673
bonds (distance) P-C4' energy: -60.708
flat angles C4'-P-C4' energy: -64.212
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -98.357
Dist. restrs. and SS energy: 0.000 (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: 391
Temperature: 1.050000
Total energy: -986.410742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.410742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.410742 (E_RNA)
where:
Base-Base interactions energy: -676.669
where: short stacking energy: -279.316
Base-Backbone interact. energy: -3.816
local terms energy: -305.924846
where:
bonds (distance) C4'-P energy: -57.177
bonds (distance) P-C4' energy: -58.260
flat angles C4'-P-C4' energy: -69.320
flat angles P-C4'-P energy: -37.275
tors. eta vs tors. theta energy: -83.893
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: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -873.061902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.061902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.061902 (E_RNA)
where:
Base-Base interactions energy: -594.334
where: short stacking energy: -265.751
Base-Backbone interact. energy: 0.355
local terms energy: -279.083712
where:
bonds (distance) C4'-P energy: -52.325
bonds (distance) P-C4' energy: -59.933
flat angles C4'-P-C4' energy: -64.304
flat angles P-C4'-P energy: -38.753
tors. eta vs tors. theta energy: -63.768
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: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -853.861623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.861623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.861623 (E_RNA)
where:
Base-Base interactions energy: -576.222
where: short stacking energy: -257.468
Base-Backbone interact. energy: 0.401
local terms energy: -278.040440
where:
bonds (distance) C4'-P energy: -58.296
bonds (distance) P-C4' energy: -69.814
flat angles C4'-P-C4' energy: -51.711
flat angles P-C4'-P energy: -32.188
tors. eta vs tors. theta energy: -66.032
Dist. restrs. and SS energy: 0.000 (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: 391
Temperature: 1.200000
Total energy: -783.684880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.684880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.684880 (E_RNA)
where:
Base-Base interactions energy: -513.501
where: short stacking energy: -225.756
Base-Backbone interact. energy: -2.101
local terms energy: -268.082422
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -50.837
flat angles C4'-P-C4' energy: -61.814
flat angles P-C4'-P energy: -38.341
tors. eta vs tors. theta energy: -58.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -722.664062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.664062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.664062 (E_RNA)
where:
Base-Base interactions energy: -491.915
where: short stacking energy: -206.415
Base-Backbone interact. energy: 1.372
local terms energy: -232.121340
where:
bonds (distance) C4'-P energy: -48.505
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -61.410
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -50.255
Dist. restrs. and SS energy: 0.000 (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: 391
Temperature: 1.300000
Total energy: -637.093748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.093748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.093748 (E_RNA)
where:
Base-Base interactions energy: -447.886
where: short stacking energy: -200.921
Base-Backbone interact. energy: -0.504
local terms energy: -188.703952
where:
bonds (distance) C4'-P energy: -39.602
bonds (distance) P-C4' energy: -43.385
flat angles C4'-P-C4' energy: -38.035
flat angles P-C4'-P energy: -27.437
tors. eta vs tors. theta energy: -40.245
Dist. restrs. and SS energy: 0.000 (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: 391
Temperature: 1.350000
Total energy: -366.269626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.269626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.269626 (E_RNA)
where:
Base-Base interactions energy: -190.776
where: short stacking energy: -101.076
Base-Backbone interact. energy: -1.861
local terms energy: -173.633021
where:
bonds (distance) C4'-P energy: -55.462
bonds (distance) P-C4' energy: -52.184
flat angles C4'-P-C4' energy: -39.596
flat angles P-C4'-P energy: -18.021
tors. eta vs tors. theta energy: -8.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1079.504087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.504087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.504087 (E_RNA)
where:
Base-Base interactions energy: -755.557
where: short stacking energy: -325.531
Base-Backbone interact. energy: -0.595
local terms energy: -323.352416
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -60.965
flat angles C4'-P-C4' energy: -68.351
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: -93.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1042.533318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.533318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.533318 (E_RNA)
where:
Base-Base interactions energy: -722.673
where: short stacking energy: -321.685
Base-Backbone interact. energy: -2.614
local terms energy: -317.246464
where:
bonds (distance) C4'-P energy: -54.893
bonds (distance) P-C4' energy: -52.174
flat angles C4'-P-C4' energy: -69.823
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: -92.881
Dist. restrs. and SS energy: 0.000 (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: 392
Temperature: 1.000000
Total energy: -1002.085707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.085707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.085707 (E_RNA)
where:
Base-Base interactions energy: -690.719
where: short stacking energy: -285.417
Base-Backbone interact. energy: 0.281
local terms energy: -311.648475
where:
bonds (distance) C4'-P energy: -70.317
bonds (distance) P-C4' energy: -56.814
flat angles C4'-P-C4' energy: -67.657
flat angles P-C4'-P energy: -40.521
tors. eta vs tors. theta energy: -76.339
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: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1017.741373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.741373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.741373 (E_RNA)
where:
Base-Base interactions energy: -700.647
where: short stacking energy: -301.725
Base-Backbone interact. energy: -0.778
local terms energy: -316.315988
where:
bonds (distance) C4'-P energy: -45.167
bonds (distance) P-C4' energy: -61.060
flat angles C4'-P-C4' energy: -62.309
flat angles P-C4'-P energy: -54.632
tors. eta vs tors. theta energy: -93.149
Dist. restrs. and SS energy: 0.000 (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: 392
Temperature: 1.100000
Total energy: -878.177497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.177497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.177497 (E_RNA)
where:
Base-Base interactions energy: -584.826
where: short stacking energy: -259.714
Base-Backbone interact. energy: 0.728
local terms energy: -294.079330
where:
bonds (distance) C4'-P energy: -53.482
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -50.991
tors. eta vs tors. theta energy: -73.893
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -831.347890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.347890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.347890 (E_RNA)
where:
Base-Base interactions energy: -573.494
where: short stacking energy: -256.712
Base-Backbone interact. energy: -0.733
local terms energy: -257.120969
where:
bonds (distance) C4'-P energy: -45.353
bonds (distance) P-C4' energy: -45.053
flat angles C4'-P-C4' energy: -62.559
flat angles P-C4'-P energy: -39.936
tors. eta vs tors. theta energy: -64.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -785.729349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.729349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.729349 (E_RNA)
where:
Base-Base interactions energy: -522.542
where: short stacking energy: -223.039
Base-Backbone interact. energy: 0.402
local terms energy: -263.589545
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -55.019
flat angles C4'-P-C4' energy: -53.998
flat angles P-C4'-P energy: -42.974
tors. eta vs tors. theta energy: -57.613
Dist. restrs. and SS energy: 0.000 (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: 392
Temperature: 1.250000
Total energy: -718.171762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.171762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.171762 (E_RNA)
where:
Base-Base interactions energy: -480.539
where: short stacking energy: -214.181
Base-Backbone interact. energy: -0.615
local terms energy: -237.017832
where:
bonds (distance) C4'-P energy: -53.176
bonds (distance) P-C4' energy: -50.795
flat angles C4'-P-C4' energy: -55.158
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -49.727
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: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -617.744714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.744714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.744714 (E_RNA)
where:
Base-Base interactions energy: -394.417
where: short stacking energy: -168.004
Base-Backbone interact. energy: -0.579
local terms energy: -222.748251
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -57.404
flat angles C4'-P-C4' energy: -56.075
flat angles P-C4'-P energy: -28.160
tors. eta vs tors. theta energy: -29.742
Dist. restrs. and SS energy: 0.000 (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: 392
Temperature: 1.350000
Total energy: -368.754874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.754874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.754874 (E_RNA)
where:
Base-Base interactions energy: -189.781
where: short stacking energy: -116.613
Base-Backbone interact. energy: 1.570
local terms energy: -180.544391
where:
bonds (distance) C4'-P energy: -44.454
bonds (distance) P-C4' energy: -56.057
flat angles C4'-P-C4' energy: -42.734
flat angles P-C4'-P energy: -30.687
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1070.379243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.379243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.379243 (E_RNA)
where:
Base-Base interactions energy: -752.249
where: short stacking energy: -332.152
Base-Backbone interact. energy: -0.134
local terms energy: -317.996018
where:
bonds (distance) C4'-P energy: -54.054
bonds (distance) P-C4' energy: -61.517
flat angles C4'-P-C4' energy: -71.608
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -85.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1046.416535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.416535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.416535 (E_RNA)
where:
Base-Base interactions energy: -713.758
where: short stacking energy: -315.171
Base-Backbone interact. energy: -0.649
local terms energy: -332.009853
where:
bonds (distance) C4'-P energy: -61.664
bonds (distance) P-C4' energy: -60.571
flat angles C4'-P-C4' energy: -66.232
flat angles P-C4'-P energy: -49.011
tors. eta vs tors. theta energy: -94.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1001.566614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.566614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.566614 (E_RNA)
where:
Base-Base interactions energy: -694.823
where: short stacking energy: -283.882
Base-Backbone interact. energy: -3.451
local terms energy: -303.292759
where:
bonds (distance) C4'-P energy: -58.635
bonds (distance) P-C4' energy: -62.458
flat angles C4'-P-C4' energy: -59.646
flat angles P-C4'-P energy: -42.285
tors. eta vs tors. theta energy: -80.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1004.388400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.388400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.388400 (E_RNA)
where:
Base-Base interactions energy: -705.599
where: short stacking energy: -318.430
Base-Backbone interact. energy: 0.975
local terms energy: -299.763666
where:
bonds (distance) C4'-P energy: -45.739
bonds (distance) P-C4' energy: -58.999
flat angles C4'-P-C4' energy: -66.721
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: -95.499
Dist. restrs. and SS energy: 0.000 (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: 393
Temperature: 1.100000
Total energy: -854.945690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.945690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.945690 (E_RNA)
where:
Base-Base interactions energy: -583.467
where: short stacking energy: -256.444
Base-Backbone interact. energy: -0.406
local terms energy: -271.071815
where:
bonds (distance) C4'-P energy: -49.081
bonds (distance) P-C4' energy: -56.919
flat angles C4'-P-C4' energy: -61.224
flat angles P-C4'-P energy: -38.703
tors. eta vs tors. theta energy: -65.144
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: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -852.074148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.074148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.074148 (E_RNA)
where:
Base-Base interactions energy: -578.734
where: short stacking energy: -245.764
Base-Backbone interact. energy: -2.361
local terms energy: -270.978793
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -59.885
flat angles C4'-P-C4' energy: -59.837
flat angles P-C4'-P energy: -35.405
tors. eta vs tors. theta energy: -65.003
Dist. restrs. and SS energy: 0.000 (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: -745.140226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.140226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.140226 (E_RNA)
where:
Base-Base interactions energy: -513.217
where: short stacking energy: -214.839
Base-Backbone interact. energy: 2.748
local terms energy: -234.671478
where:
bonds (distance) C4'-P energy: -48.463
bonds (distance) P-C4' energy: -48.566
flat angles C4'-P-C4' energy: -56.163
flat angles P-C4'-P energy: -26.915
tors. eta vs tors. theta energy: -54.564
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: 8, replica: 3
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -733.018497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.018497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.018497 (E_RNA)
where:
Base-Base interactions energy: -484.831
where: short stacking energy: -210.015
Base-Backbone interact. energy: 0.642
local terms energy: -248.829419
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -56.042
flat angles C4'-P-C4' energy: -55.347
flat angles P-C4'-P energy: -45.431
tors. eta vs tors. theta energy: -50.511
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: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -608.101480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.101480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.101480 (E_RNA)
where:
Base-Base interactions energy: -393.311
where: short stacking energy: -176.907
Base-Backbone interact. energy: -2.066
local terms energy: -212.725238
where:
bonds (distance) C4'-P energy: -60.249
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -37.776
flat angles P-C4'-P energy: -30.402
tors. eta vs tors. theta energy: -30.226
Dist. restrs. and SS energy: 0.000 (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: 393
Temperature: 1.350000
Total energy: -378.567402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.567402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.567402 (E_RNA)
where:
Base-Base interactions energy: -208.608
where: short stacking energy: -121.279
Base-Backbone interact. energy: -0.421
local terms energy: -169.538102
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -53.322
flat angles C4'-P-C4' energy: -46.678
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (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: 394
Temperature: 0.900000
Total energy: -1063.948875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.948875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.948875 (E_RNA)
where:
Base-Base interactions energy: -732.958
where: short stacking energy: -319.055
Base-Backbone interact. energy: -1.898
local terms energy: -329.093184
where:
bonds (distance) C4'-P energy: -61.738
bonds (distance) P-C4' energy: -57.751
flat angles C4'-P-C4' energy: -71.021
flat angles P-C4'-P energy: -48.604
tors. eta vs tors. theta energy: -89.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1036.550800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.550800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.550800 (E_RNA)
where:
Base-Base interactions energy: -728.085
where: short stacking energy: -307.225
Base-Backbone interact. energy: -1.164
local terms energy: -307.301730
where:
bonds (distance) C4'-P energy: -55.520
bonds (distance) P-C4' energy: -65.978
flat angles C4'-P-C4' energy: -55.783
flat angles P-C4'-P energy: -44.112
tors. eta vs tors. theta energy: -85.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1011.225739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.225739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.225739 (E_RNA)
where:
Base-Base interactions energy: -697.814
where: short stacking energy: -313.897
Base-Backbone interact. energy: -0.407
local terms energy: -313.004588
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -55.263
flat angles C4'-P-C4' energy: -73.712
flat angles P-C4'-P energy: -40.760
tors. eta vs tors. theta energy: -88.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -978.910592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.910592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.910592 (E_RNA)
where:
Base-Base interactions energy: -685.992
where: short stacking energy: -286.144
Base-Backbone interact. energy: -1.457
local terms energy: -291.462197
where:
bonds (distance) C4'-P energy: -62.578
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -59.501
flat angles P-C4'-P energy: -44.540
tors. eta vs tors. theta energy: -75.838
Dist. restrs. and SS energy: 0.000 (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: 394
Temperature: 1.100000
Total energy: -870.181587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.181587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.181587 (E_RNA)
where:
Base-Base interactions energy: -574.509
where: short stacking energy: -251.562
Base-Backbone interact. energy: -0.951
local terms energy: -294.722077
where:
bonds (distance) C4'-P energy: -60.641
bonds (distance) P-C4' energy: -57.641
flat angles C4'-P-C4' energy: -68.092
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -68.358
Dist. restrs. and SS energy: 0.000 (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: 394
Temperature: 1.150000
Total energy: -832.380256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.380256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.380256 (E_RNA)
where:
Base-Base interactions energy: -559.713
where: short stacking energy: -244.245
Base-Backbone interact. energy: -0.918
local terms energy: -271.748987
where:
bonds (distance) C4'-P energy: -45.665
bonds (distance) P-C4' energy: -56.050
flat angles C4'-P-C4' energy: -63.827
flat angles P-C4'-P energy: -44.262
tors. eta vs tors. theta energy: -61.944
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: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -780.461947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.461947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.461947 (E_RNA)
where:
Base-Base interactions energy: -527.359
where: short stacking energy: -225.474
Base-Backbone interact. energy: 0.962
local terms energy: -254.064034
where:
bonds (distance) C4'-P energy: -55.144
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -59.599
flat angles P-C4'-P energy: -34.994
tors. eta vs tors. theta energy: -56.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -692.861426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.861426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.861426 (E_RNA)
where:
Base-Base interactions energy: -455.127
where: short stacking energy: -211.135
Base-Backbone interact. energy: 2.365
local terms energy: -240.099508
where:
bonds (distance) C4'-P energy: -52.427
bonds (distance) P-C4' energy: -52.926
flat angles C4'-P-C4' energy: -48.569
flat angles P-C4'-P energy: -39.357
tors. eta vs tors. theta energy: -46.821
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: 9, replica: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -592.073946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.073946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.073946 (E_RNA)
where:
Base-Base interactions energy: -379.421
where: short stacking energy: -155.118
Base-Backbone interact. energy: -1.076
local terms energy: -211.577237
where:
bonds (distance) C4'-P energy: -52.839
bonds (distance) P-C4' energy: -53.987
flat angles C4'-P-C4' energy: -42.370
flat angles P-C4'-P energy: -24.646
tors. eta vs tors. theta energy: -37.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -354.304709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.304709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.304709 (E_RNA)
where:
Base-Base interactions energy: -182.739
where: short stacking energy: -99.388
Base-Backbone interact. energy: 1.206
local terms energy: -172.771955
where:
bonds (distance) C4'-P energy: -45.857
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -43.472
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -2.836
Dist. restrs. and SS energy: 0.000 (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: 395
Temperature: 0.900000
Total energy: -1086.584342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.584342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.584342 (E_RNA)
where:
Base-Base interactions energy: -753.492
where: short stacking energy: -326.947
Base-Backbone interact. energy: -1.117
local terms energy: -331.975337
where:
bonds (distance) C4'-P energy: -60.960
bonds (distance) P-C4' energy: -57.746
flat angles C4'-P-C4' energy: -72.489
flat angles P-C4'-P energy: -50.051
tors. eta vs tors. theta energy: -90.730
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: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1032.264106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.264106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.264106 (E_RNA)
where:
Base-Base interactions energy: -722.501
where: short stacking energy: -318.355
Base-Backbone interact. energy: 6.742
local terms energy: -316.504743
where:
bonds (distance) C4'-P energy: -61.156
bonds (distance) P-C4' energy: -54.738
flat angles C4'-P-C4' energy: -67.704
flat angles P-C4'-P energy: -47.982
tors. eta vs tors. theta energy: -84.925
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: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1011.546417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.546417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.546417 (E_RNA)
where:
Base-Base interactions energy: -701.647
where: short stacking energy: -302.787
Base-Backbone interact. energy: -0.320
local terms energy: -309.579320
where:
bonds (distance) C4'-P energy: -54.424
bonds (distance) P-C4' energy: -60.720
flat angles C4'-P-C4' energy: -66.486
flat angles P-C4'-P energy: -39.126
tors. eta vs tors. theta energy: -88.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -967.649958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.649958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.649958 (E_RNA)
where:
Base-Base interactions energy: -656.625
where: short stacking energy: -286.290
Base-Backbone interact. energy: -2.712
local terms energy: -308.313130
where:
bonds (distance) C4'-P energy: -57.659
bonds (distance) P-C4' energy: -64.932
flat angles C4'-P-C4' energy: -63.034
flat angles P-C4'-P energy: -45.517
tors. eta vs tors. theta energy: -77.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -886.039743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.039743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.039743 (E_RNA)
where:
Base-Base interactions energy: -599.175
where: short stacking energy: -266.579
Base-Backbone interact. energy: -0.206
local terms energy: -286.658505
where:
bonds (distance) C4'-P energy: -58.325
bonds (distance) P-C4' energy: -61.006
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -78.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -833.494493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.494493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.494493 (E_RNA)
where:
Base-Base interactions energy: -559.415
where: short stacking energy: -243.435
Base-Backbone interact. energy: -0.465
local terms energy: -273.614503
where:
bonds (distance) C4'-P energy: -48.000
bonds (distance) P-C4' energy: -56.317
flat angles C4'-P-C4' energy: -62.139
flat angles P-C4'-P energy: -38.135
tors. eta vs tors. theta energy: -69.023
Dist. restrs. and SS energy: 0.000 (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: 395
Temperature: 1.200000
Total energy: -778.621359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.621359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.621359 (E_RNA)
where:
Base-Base interactions energy: -514.470
where: short stacking energy: -237.721
Base-Backbone interact. energy: -0.348
local terms energy: -263.804072
where:
bonds (distance) C4'-P energy: -52.849
bonds (distance) P-C4' energy: -53.767
flat angles C4'-P-C4' energy: -57.189
flat angles P-C4'-P energy: -42.008
tors. eta vs tors. theta energy: -57.991
Dist. restrs. and SS energy: 0.000 (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: 395
Temperature: 1.250000
Total energy: -708.801732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.801732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.801732 (E_RNA)
where:
Base-Base interactions energy: -470.184
where: short stacking energy: -221.420
Base-Backbone interact. energy: 0.354
local terms energy: -238.972190
where:
bonds (distance) C4'-P energy: -45.662
bonds (distance) P-C4' energy: -38.812
flat angles C4'-P-C4' energy: -63.579
flat angles P-C4'-P energy: -32.013
tors. eta vs tors. theta energy: -58.906
Dist. restrs. and SS energy: 0.000 (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: 395
Temperature: 1.300000
Total energy: -553.996066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.996066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.996066 (E_RNA)
where:
Base-Base interactions energy: -362.751
where: short stacking energy: -181.209
Base-Backbone interact. energy: 1.074
local terms energy: -192.319022
where:
bonds (distance) C4'-P energy: -45.425
bonds (distance) P-C4' energy: -42.763
flat angles C4'-P-C4' energy: -50.420
flat angles P-C4'-P energy: -22.669
tors. eta vs tors. theta energy: -31.041
Dist. restrs. and SS energy: 0.000 (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: 395
Temperature: 1.350000
Total energy: -369.797354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.797354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.797354 (E_RNA)
where:
Base-Base interactions energy: -185.808
where: short stacking energy: -114.399
Base-Backbone interact. energy: 2.597
local terms energy: -186.585662
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -44.372
flat angles C4'-P-C4' energy: -41.272
flat angles P-C4'-P energy: -34.964
tors. eta vs tors. theta energy: -10.585
Dist. restrs. and SS energy: 0.000 (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: 396
Temperature: 0.900000
Total energy: -1049.441589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.441589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.441589 (E_RNA)
where:
Base-Base interactions energy: -741.083
where: short stacking energy: -331.827
Base-Backbone interact. energy: -0.821
local terms energy: -307.538040
where:
bonds (distance) C4'-P energy: -54.140
bonds (distance) P-C4' energy: -52.889
flat angles C4'-P-C4' energy: -61.638
flat angles P-C4'-P energy: -42.601
tors. eta vs tors. theta energy: -96.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1051.671032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.671032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.671032 (E_RNA)
where:
Base-Base interactions energy: -731.514
where: short stacking energy: -315.259
Base-Backbone interact. energy: 4.109
local terms energy: -324.266182
where:
bonds (distance) C4'-P energy: -65.520
bonds (distance) P-C4' energy: -63.978
flat angles C4'-P-C4' energy: -61.622
flat angles P-C4'-P energy: -45.938
tors. eta vs tors. theta energy: -87.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1019.815154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.815154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.815154 (E_RNA)
where:
Base-Base interactions energy: -711.678
where: short stacking energy: -313.830
Base-Backbone interact. energy: -0.171
local terms energy: -307.966314
where:
bonds (distance) C4'-P energy: -51.214
bonds (distance) P-C4' energy: -52.300
flat angles C4'-P-C4' energy: -62.875
flat angles P-C4'-P energy: -44.143
tors. eta vs tors. theta energy: -97.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -997.612812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.612812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.612812 (E_RNA)
where:
Base-Base interactions energy: -697.634
where: short stacking energy: -293.035
Base-Backbone interact. energy: -5.315
local terms energy: -294.663254
where:
bonds (distance) C4'-P energy: -56.788
bonds (distance) P-C4' energy: -48.956
flat angles C4'-P-C4' energy: -68.400
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -80.963
Dist. restrs. and SS energy: 0.000 (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: 396
Temperature: 1.100000
Total energy: -857.421516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.421516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.421516 (E_RNA)
where:
Base-Base interactions energy: -599.790
where: short stacking energy: -266.240
Base-Backbone interact. energy: -1.414
local terms energy: -256.217574
where:
bonds (distance) C4'-P energy: -41.522
bonds (distance) P-C4' energy: -44.261
flat angles C4'-P-C4' energy: -67.234
flat angles P-C4'-P energy: -35.763
tors. eta vs tors. theta energy: -67.437
Dist. restrs. and SS energy: 0.000 (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: 396
Temperature: 1.150000
Total energy: -822.778311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.778311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.778311 (E_RNA)
where:
Base-Base interactions energy: -585.127
where: short stacking energy: -253.186
Base-Backbone interact. energy: -0.445
local terms energy: -237.205776
where:
bonds (distance) C4'-P energy: -50.484
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -55.437
flat angles P-C4'-P energy: -34.836
tors. eta vs tors. theta energy: -53.556
Dist. restrs. and SS energy: 0.000 (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: 396
Temperature: 1.200000
Total energy: -769.673291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.673291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.673291 (E_RNA)
where:
Base-Base interactions energy: -529.894
where: short stacking energy: -217.915
Base-Backbone interact. energy: -1.324
local terms energy: -238.454939
where:
bonds (distance) C4'-P energy: -56.083
bonds (distance) P-C4' energy: -41.606
flat angles C4'-P-C4' energy: -62.006
flat angles P-C4'-P energy: -24.351
tors. eta vs tors. theta energy: -54.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -719.854093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.854093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.854093 (E_RNA)
where:
Base-Base interactions energy: -492.518
where: short stacking energy: -210.659
Base-Backbone interact. energy: 2.513
local terms energy: -229.849364
where:
bonds (distance) C4'-P energy: -45.768
bonds (distance) P-C4' energy: -43.096
flat angles C4'-P-C4' energy: -49.352
flat angles P-C4'-P energy: -33.819
tors. eta vs tors. theta energy: -57.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -491.464176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.464176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.464176 (E_RNA)
where:
Base-Base interactions energy: -294.490
where: short stacking energy: -121.784
Base-Backbone interact. energy: 0.358
local terms energy: -197.332712
where:
bonds (distance) C4'-P energy: -51.643
bonds (distance) P-C4' energy: -44.642
flat angles C4'-P-C4' energy: -54.412
flat angles P-C4'-P energy: -30.105
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -360.608713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.608713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.608713 (E_RNA)
where:
Base-Base interactions energy: -201.672
where: short stacking energy: -111.176
Base-Backbone interact. energy: 4.006
local terms energy: -162.942823
where:
bonds (distance) C4'-P energy: -50.870
bonds (distance) P-C4' energy: -57.860
flat angles C4'-P-C4' energy: -40.730
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: 0.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1060.910201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.910201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.910201 (E_RNA)
where:
Base-Base interactions energy: -744.478
where: short stacking energy: -331.377
Base-Backbone interact. energy: -1.125
local terms energy: -315.307686
where:
bonds (distance) C4'-P energy: -66.973
bonds (distance) P-C4' energy: -52.575
flat angles C4'-P-C4' energy: -63.737
flat angles P-C4'-P energy: -43.190
tors. eta vs tors. theta energy: -88.833
Dist. restrs. and SS energy: 0.000 (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: 397
Temperature: 0.950000
Total energy: -1059.230736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.230736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.230736 (E_RNA)
where:
Base-Base interactions energy: -730.962
where: short stacking energy: -322.050
Base-Backbone interact. energy: 0.962
local terms energy: -329.231367
where:
bonds (distance) C4'-P energy: -57.722
bonds (distance) P-C4' energy: -67.048
flat angles C4'-P-C4' energy: -67.352
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -94.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1040.688458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.688458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.688458 (E_RNA)
where:
Base-Base interactions energy: -722.209
where: short stacking energy: -315.066
Base-Backbone interact. energy: -1.964
local terms energy: -316.515628
where:
bonds (distance) C4'-P energy: -58.918
bonds (distance) P-C4' energy: -47.980
flat angles C4'-P-C4' energy: -62.242
flat angles P-C4'-P energy: -53.240
tors. eta vs tors. theta energy: -94.136
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: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -990.871415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.871415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.871415 (E_RNA)
where:
Base-Base interactions energy: -691.278
where: short stacking energy: -297.178
Base-Backbone interact. energy: -2.315
local terms energy: -297.277616
where:
bonds (distance) C4'-P energy: -51.123
bonds (distance) P-C4' energy: -57.540
flat angles C4'-P-C4' energy: -63.179
flat angles P-C4'-P energy: -45.710
tors. eta vs tors. theta energy: -79.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -852.428324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.428324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.428324 (E_RNA)
where:
Base-Base interactions energy: -565.216
where: short stacking energy: -236.309
Base-Backbone interact. energy: -2.497
local terms energy: -284.715972
where:
bonds (distance) C4'-P energy: -57.177
bonds (distance) P-C4' energy: -54.804
flat angles C4'-P-C4' energy: -63.782
flat angles P-C4'-P energy: -39.788
tors. eta vs tors. theta energy: -69.165
Dist. restrs. and SS energy: 0.000 (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: 397
Temperature: 1.150000
Total energy: -822.379213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.379213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.379213 (E_RNA)
where:
Base-Base interactions energy: -574.809
where: short stacking energy: -250.756
Base-Backbone interact. energy: -1.022
local terms energy: -246.548841
where:
bonds (distance) C4'-P energy: -43.857
bonds (distance) P-C4' energy: -50.026
flat angles C4'-P-C4' energy: -54.323
flat angles P-C4'-P energy: -34.757
tors. eta vs tors. theta energy: -63.586
Dist. restrs. and SS energy: 0.000 (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: 397
Temperature: 1.200000
Total energy: -804.389401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.389401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.389401 (E_RNA)
where:
Base-Base interactions energy: -547.402
where: short stacking energy: -239.177
Base-Backbone interact. energy: 0.581
local terms energy: -257.567958
where:
bonds (distance) C4'-P energy: -48.314
bonds (distance) P-C4' energy: -63.457
flat angles C4'-P-C4' energy: -49.041
flat angles P-C4'-P energy: -35.664
tors. eta vs tors. theta energy: -61.091
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: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -743.395229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.395229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.395229 (E_RNA)
where:
Base-Base interactions energy: -506.439
where: short stacking energy: -219.178
Base-Backbone interact. energy: -1.717
local terms energy: -235.239531
where:
bonds (distance) C4'-P energy: -50.365
bonds (distance) P-C4' energy: -49.608
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -25.844
tors. eta vs tors. theta energy: -50.595
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: 9, replica: 2
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -518.057478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.057478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.057478 (E_RNA)
where:
Base-Base interactions energy: -328.847
where: short stacking energy: -144.516
Base-Backbone interact. energy: -0.106
local terms energy: -189.104368
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -45.440
flat angles C4'-P-C4' energy: -43.384
flat angles P-C4'-P energy: -30.808
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (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: 397
Temperature: 1.350000
Total energy: -379.562673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.562673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.562673 (E_RNA)
where:
Base-Base interactions energy: -191.132
where: short stacking energy: -123.696
Base-Backbone interact. energy: 2.896
local terms energy: -191.326619
where:
bonds (distance) C4'-P energy: -48.594
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -48.829
flat angles P-C4'-P energy: -24.248
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (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: 398
Temperature: 0.900000
Total energy: -1071.840416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.840416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.840416 (E_RNA)
where:
Base-Base interactions energy: -731.162
where: short stacking energy: -328.771
Base-Backbone interact. energy: -0.724
local terms energy: -339.955161
where:
bonds (distance) C4'-P energy: -62.335
bonds (distance) P-C4' energy: -61.838
flat angles C4'-P-C4' energy: -69.048
flat angles P-C4'-P energy: -51.005
tors. eta vs tors. theta energy: -95.729
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: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1052.538269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.538269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.538269 (E_RNA)
where:
Base-Base interactions energy: -736.595
where: short stacking energy: -323.758
Base-Backbone interact. energy: -0.352
local terms energy: -315.591553
where:
bonds (distance) C4'-P energy: -59.325
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -60.382
flat angles P-C4'-P energy: -37.970
tors. eta vs tors. theta energy: -95.017
Dist. restrs. and SS energy: 0.000 (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: 398
Temperature: 1.000000
Total energy: -997.766463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.766463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.766463 (E_RNA)
where:
Base-Base interactions energy: -700.494
where: short stacking energy: -289.341
Base-Backbone interact. energy: -3.367
local terms energy: -293.905775
where:
bonds (distance) C4'-P energy: -55.359
bonds (distance) P-C4' energy: -56.365
flat angles C4'-P-C4' energy: -67.103
flat angles P-C4'-P energy: -45.879
tors. eta vs tors. theta energy: -69.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -996.015175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.015175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.015175 (E_RNA)
where:
Base-Base interactions energy: -683.010
where: short stacking energy: -300.565
Base-Backbone interact. energy: -1.983
local terms energy: -311.022213
where:
bonds (distance) C4'-P energy: -49.517
bonds (distance) P-C4' energy: -65.963
flat angles C4'-P-C4' energy: -63.326
flat angles P-C4'-P energy: -42.863
tors. eta vs tors. theta energy: -89.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -865.707449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.707449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.707449 (E_RNA)
where:
Base-Base interactions energy: -581.750
where: short stacking energy: -266.822
Base-Backbone interact. energy: -1.330
local terms energy: -282.628231
where:
bonds (distance) C4'-P energy: -54.785
bonds (distance) P-C4' energy: -55.294
flat angles C4'-P-C4' energy: -62.721
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -71.029
Dist. restrs. and SS energy: 0.000 (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: 398
Temperature: 1.150000
Total energy: -812.417985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.417985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.417985 (E_RNA)
where:
Base-Base interactions energy: -564.223
where: short stacking energy: -225.282
Base-Backbone interact. energy: -0.064
local terms energy: -248.131077
where:
bonds (distance) C4'-P energy: -46.634
bonds (distance) P-C4' energy: -51.404
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -33.693
tors. eta vs tors. theta energy: -58.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -787.508291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.508291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.508291 (E_RNA)
where:
Base-Base interactions energy: -546.196
where: short stacking energy: -218.150
Base-Backbone interact. energy: 0.478
local terms energy: -241.790180
where:
bonds (distance) C4'-P energy: -56.224
bonds (distance) P-C4' energy: -43.957
flat angles C4'-P-C4' energy: -57.663
flat angles P-C4'-P energy: -40.282
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -728.393704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.393704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.393704 (E_RNA)
where:
Base-Base interactions energy: -486.751
where: short stacking energy: -209.871
Base-Backbone interact. energy: -1.143
local terms energy: -240.499631
where:
bonds (distance) C4'-P energy: -34.383
bonds (distance) P-C4' energy: -60.400
flat angles C4'-P-C4' energy: -65.145
flat angles P-C4'-P energy: -32.656
tors. eta vs tors. theta energy: -47.916
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: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -549.562483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.562483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.562483 (E_RNA)
where:
Base-Base interactions energy: -328.328
where: short stacking energy: -157.515
Base-Backbone interact. energy: -0.883
local terms energy: -220.351651
where:
bonds (distance) C4'-P energy: -53.532
bonds (distance) P-C4' energy: -50.320
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -33.046
tors. eta vs tors. theta energy: -35.420
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: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -376.432644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.432644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.432644 (E_RNA)
where:
Base-Base interactions energy: -204.912
where: short stacking energy: -117.876
Base-Backbone interact. energy: 2.345
local terms energy: -173.865165
where:
bonds (distance) C4'-P energy: -48.253
bonds (distance) P-C4' energy: -43.340
flat angles C4'-P-C4' energy: -41.020
flat angles P-C4'-P energy: -30.732
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (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: 399
Temperature: 0.900000
Total energy: -1064.157023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.157023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.157023 (E_RNA)
where:
Base-Base interactions energy: -745.649
where: short stacking energy: -334.831
Base-Backbone interact. energy: -1.031
local terms energy: -317.476474
where:
bonds (distance) C4'-P energy: -61.042
bonds (distance) P-C4' energy: -55.707
flat angles C4'-P-C4' energy: -64.782
flat angles P-C4'-P energy: -42.931
tors. eta vs tors. theta energy: -93.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1057.292369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.292369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.292369 (E_RNA)
where:
Base-Base interactions energy: -739.126
where: short stacking energy: -322.148
Base-Backbone interact. energy: -0.861
local terms energy: -317.305441
where:
bonds (distance) C4'-P energy: -56.288
bonds (distance) P-C4' energy: -60.907
flat angles C4'-P-C4' energy: -63.106
flat angles P-C4'-P energy: -44.737
tors. eta vs tors. theta energy: -92.267
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: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1017.755539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.755539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.755539 (E_RNA)
where:
Base-Base interactions energy: -722.475
where: short stacking energy: -286.666
Base-Backbone interact. energy: -2.213
local terms energy: -293.067227
where:
bonds (distance) C4'-P energy: -51.853
bonds (distance) P-C4' energy: -55.938
flat angles C4'-P-C4' energy: -62.049
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -81.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1020.123392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.123392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.123392 (E_RNA)
where:
Base-Base interactions energy: -691.266
where: short stacking energy: -297.823
Base-Backbone interact. energy: -1.947
local terms energy: -326.910564
where:
bonds (distance) C4'-P energy: -56.846
bonds (distance) P-C4' energy: -59.363
flat angles C4'-P-C4' energy: -66.617
flat angles P-C4'-P energy: -51.556
tors. eta vs tors. theta energy: -92.529
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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -863.491948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.491948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.491948 (E_RNA)
where:
Base-Base interactions energy: -577.685
where: short stacking energy: -246.878
Base-Backbone interact. energy: -0.433
local terms energy: -285.373052
where:
bonds (distance) C4'-P energy: -55.364
bonds (distance) P-C4' energy: -58.027
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -41.197
tors. eta vs tors. theta energy: -59.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -845.250011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.250011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.250011 (E_RNA)
where:
Base-Base interactions energy: -580.463
where: short stacking energy: -245.306
Base-Backbone interact. energy: 3.107
local terms energy: -267.894219
where:
bonds (distance) C4'-P energy: -56.524
bonds (distance) P-C4' energy: -56.652
flat angles C4'-P-C4' energy: -53.318
flat angles P-C4'-P energy: -37.209
tors. eta vs tors. theta energy: -64.191
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: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -772.287326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.287326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.287326 (E_RNA)
where:
Base-Base interactions energy: -516.900
where: short stacking energy: -221.225
Base-Backbone interact. energy: -0.208
local terms energy: -255.179505
where:
bonds (distance) C4'-P energy: -59.603
bonds (distance) P-C4' energy: -38.617
flat angles C4'-P-C4' energy: -63.707
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -54.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -728.577743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.577743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.577743 (E_RNA)
where:
Base-Base interactions energy: -484.306
where: short stacking energy: -206.830
Base-Backbone interact. energy: -0.846
local terms energy: -243.425547
where:
bonds (distance) C4'-P energy: -51.748
bonds (distance) P-C4' energy: -65.227
flat angles C4'-P-C4' energy: -52.759
flat angles P-C4'-P energy: -29.538
tors. eta vs tors. theta energy: -44.153
Dist. restrs. and SS energy: 0.000 (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: 399
Temperature: 1.300000
Total energy: -549.459651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.459651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.459651 (E_RNA)
where:
Base-Base interactions energy: -327.400
where: short stacking energy: -155.231
Base-Backbone interact. energy: -1.404
local terms energy: -220.655687
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -49.865
flat angles C4'-P-C4' energy: -56.376
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -30.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -438.200035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.200035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.200035 (E_RNA)
where:
Base-Base interactions energy: -260.105
where: short stacking energy: -118.036
Base-Backbone interact. energy: 6.767
local terms energy: -184.862910
where:
bonds (distance) C4'-P energy: -46.057
bonds (distance) P-C4' energy: -34.613
flat angles C4'-P-C4' energy: -42.814
flat angles P-C4'-P energy: -42.556
tors. eta vs tors. theta energy: -18.823
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: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1065.966627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.966627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.966627 (E_RNA)
where:
Base-Base interactions energy: -733.920
where: short stacking energy: -330.628
Base-Backbone interact. energy: -1.802
local terms energy: -330.244301
where:
bonds (distance) C4'-P energy: -57.122
bonds (distance) P-C4' energy: -64.292
flat angles C4'-P-C4' energy: -72.838
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -92.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1039.881469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.881469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.881469 (E_RNA)
where:
Base-Base interactions energy: -719.696
where: short stacking energy: -323.952
Base-Backbone interact. energy: -0.698
local terms energy: -319.487531
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -67.034
flat angles C4'-P-C4' energy: -67.089
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -95.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1029.324081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.324081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.324081 (E_RNA)
where:
Base-Base interactions energy: -697.842
where: short stacking energy: -311.951
Base-Backbone interact. energy: -0.430
local terms energy: -331.052415
where:
bonds (distance) C4'-P energy: -61.723
bonds (distance) P-C4' energy: -56.618
flat angles C4'-P-C4' energy: -70.695
flat angles P-C4'-P energy: -46.498
tors. eta vs tors. theta energy: -95.518
Dist. restrs. and SS energy: 0.000 (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: 400
Temperature: 1.050000
Total energy: -979.115367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.115367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.115367 (E_RNA)
where:
Base-Base interactions energy: -695.860
where: short stacking energy: -286.058
Base-Backbone interact. energy: -2.219
local terms energy: -281.036530
where:
bonds (distance) C4'-P energy: -61.481
bonds (distance) P-C4' energy: -47.110
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: -75.213
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: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -848.396925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.396925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.396925 (E_RNA)
where:
Base-Base interactions energy: -581.287
where: short stacking energy: -252.685
Base-Backbone interact. energy: -2.053
local terms energy: -265.057367
where:
bonds (distance) C4'-P energy: -48.460
bonds (distance) P-C4' energy: -51.743
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -35.302
tors. eta vs tors. theta energy: -69.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -830.238604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.238604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.238604 (E_RNA)
where:
Base-Base interactions energy: -569.760
where: short stacking energy: -239.490
Base-Backbone interact. energy: 0.411
local terms energy: -260.889416
where:
bonds (distance) C4'-P energy: -37.443
bonds (distance) P-C4' energy: -61.328
flat angles C4'-P-C4' energy: -59.442
flat angles P-C4'-P energy: -42.528
tors. eta vs tors. theta energy: -60.148
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: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -776.770577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.770577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.770577 (E_RNA)
where:
Base-Base interactions energy: -524.539
where: short stacking energy: -240.456
Base-Backbone interact. energy: -0.938
local terms energy: -251.293817
where:
bonds (distance) C4'-P energy: -49.009
bonds (distance) P-C4' energy: -47.170
flat angles C4'-P-C4' energy: -55.436
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -68.282
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: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -687.474012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.474012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.474012 (E_RNA)
where:
Base-Base interactions energy: -454.795
where: short stacking energy: -182.641
Base-Backbone interact. energy: -1.522
local terms energy: -231.157526
where:
bonds (distance) C4'-P energy: -44.150
bonds (distance) P-C4' energy: -47.897
flat angles C4'-P-C4' energy: -62.597
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -42.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -546.453381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.453381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.453381 (E_RNA)
where:
Base-Base interactions energy: -329.188
where: short stacking energy: -158.641
Base-Backbone interact. energy: -1.247
local terms energy: -216.017660
where:
bonds (distance) C4'-P energy: -37.249
bonds (distance) P-C4' energy: -52.960
flat angles C4'-P-C4' energy: -51.683
flat angles P-C4'-P energy: -38.341
tors. eta vs tors. theta energy: -35.785
Dist. restrs. and SS energy: 0.000 (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: 400
Temperature: 1.350000
Total energy: -380.857610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.857610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.857610 (E_RNA)
where:
Base-Base interactions energy: -232.999
where: short stacking energy: -136.256
Base-Backbone interact. energy: 5.264
local terms energy: -153.122377
where:
bonds (distance) C4'-P energy: -34.306
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -22.984
tors. eta vs tors. theta energy: -10.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1082.133560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.133560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.133560 (E_RNA)
where:
Base-Base interactions energy: -746.122
where: short stacking energy: -339.242
Base-Backbone interact. energy: 0.708
local terms energy: -336.719331
where:
bonds (distance) C4'-P energy: -56.041
bonds (distance) P-C4' energy: -60.747
flat angles C4'-P-C4' energy: -71.229
flat angles P-C4'-P energy: -49.929
tors. eta vs tors. theta energy: -98.773
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: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1049.073379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.073379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.073379 (E_RNA)
where:
Base-Base interactions energy: -724.897
where: short stacking energy: -302.522
Base-Backbone interact. energy: -1.612
local terms energy: -322.565197
where:
bonds (distance) C4'-P energy: -63.842
bonds (distance) P-C4' energy: -58.001
flat angles C4'-P-C4' energy: -67.785
flat angles P-C4'-P energy: -41.598
tors. eta vs tors. theta energy: -91.340
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: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1022.514763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.514763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.514763 (E_RNA)
where:
Base-Base interactions energy: -712.219
where: short stacking energy: -320.328
Base-Backbone interact. energy: -0.068
local terms energy: -310.228151
where:
bonds (distance) C4'-P energy: -61.710
bonds (distance) P-C4' energy: -51.306
flat angles C4'-P-C4' energy: -66.211
flat angles P-C4'-P energy: -45.253
tors. eta vs tors. theta energy: -85.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -960.778362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.778362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.778362 (E_RNA)
where:
Base-Base interactions energy: -663.017
where: short stacking energy: -257.169
Base-Backbone interact. energy: -0.139
local terms energy: -297.622824
where:
bonds (distance) C4'-P energy: -57.187
bonds (distance) P-C4' energy: -56.082
flat angles C4'-P-C4' energy: -69.871
flat angles P-C4'-P energy: -44.429
tors. eta vs tors. theta energy: -70.054
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: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -858.449482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.449482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.449482 (E_RNA)
where:
Base-Base interactions energy: -577.423
where: short stacking energy: -271.678
Base-Backbone interact. energy: -0.342
local terms energy: -280.683685
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -62.795
flat angles C4'-P-C4' energy: -62.288
flat angles P-C4'-P energy: -37.076
tors. eta vs tors. theta energy: -66.029
Dist. restrs. and SS energy: 0.000 (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: 401
Temperature: 1.150000
Total energy: -819.802620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.802620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.802620 (E_RNA)
where:
Base-Base interactions energy: -569.548
where: short stacking energy: -240.281
Base-Backbone interact. energy: -2.215
local terms energy: -248.038766
where:
bonds (distance) C4'-P energy: -57.847
bonds (distance) P-C4' energy: -53.493
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -26.911
tors. eta vs tors. theta energy: -56.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -765.471548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.471548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.471548 (E_RNA)
where:
Base-Base interactions energy: -510.965
where: short stacking energy: -217.466
Base-Backbone interact. energy: -1.186
local terms energy: -253.320843
where:
bonds (distance) C4'-P energy: -48.931
bonds (distance) P-C4' energy: -49.713
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -41.934
tors. eta vs tors. theta energy: -54.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -704.086347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.086347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.086347 (E_RNA)
where:
Base-Base interactions energy: -460.755
where: short stacking energy: -194.133
Base-Backbone interact. energy: -1.641
local terms energy: -241.691262
where:
bonds (distance) C4'-P energy: -57.720
bonds (distance) P-C4' energy: -47.625
flat angles C4'-P-C4' energy: -64.625
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -40.251
Dist. restrs. and SS energy: 0.000 (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: 401
Temperature: 1.300000
Total energy: -535.888217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.888217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.888217 (E_RNA)
where:
Base-Base interactions energy: -318.321
where: short stacking energy: -147.897
Base-Backbone interact. energy: 0.144
local terms energy: -217.711881
where:
bonds (distance) C4'-P energy: -36.853
bonds (distance) P-C4' energy: -62.400
flat angles C4'-P-C4' energy: -51.557
flat angles P-C4'-P energy: -37.978
tors. eta vs tors. theta energy: -28.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -401.555127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.555127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.555127 (E_RNA)
where:
Base-Base interactions energy: -216.967
where: short stacking energy: -115.378
Base-Backbone interact. energy: -2.580
local terms energy: -182.008006
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -54.534
flat angles C4'-P-C4' energy: -36.926
flat angles P-C4'-P energy: -35.264
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (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: 402
Temperature: 0.900000
Total energy: -1069.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.318355 (E_RNA)
where:
Base-Base interactions energy: -736.336
where: short stacking energy: -327.870
Base-Backbone interact. energy: -1.097
local terms energy: -331.884668
where:
bonds (distance) C4'-P energy: -62.732
bonds (distance) P-C4' energy: -58.198
flat angles C4'-P-C4' energy: -72.653
flat angles P-C4'-P energy: -43.703
tors. eta vs tors. theta energy: -94.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1068.296630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.296630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.296630 (E_RNA)
where:
Base-Base interactions energy: -743.757
where: short stacking energy: -320.592
Base-Backbone interact. energy: -3.127
local terms energy: -321.413058
where:
bonds (distance) C4'-P energy: -61.877
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -64.313
flat angles P-C4'-P energy: -45.044
tors. eta vs tors. theta energy: -96.789
Dist. restrs. and SS energy: 0.000 (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: 402
Temperature: 1.000000
Total energy: -1007.417950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.417950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.417950 (E_RNA)
where:
Base-Base interactions energy: -700.954
where: short stacking energy: -308.705
Base-Backbone interact. energy: -1.239
local terms energy: -305.224791
where:
bonds (distance) C4'-P energy: -50.594
bonds (distance) P-C4' energy: -58.414
flat angles C4'-P-C4' energy: -70.047
flat angles P-C4'-P energy: -38.372
tors. eta vs tors. theta energy: -87.797
Dist. restrs. and SS energy: 0.000 (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: 402
Temperature: 1.050000
Total energy: -961.609237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.609237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.609237 (E_RNA)
where:
Base-Base interactions energy: -672.405
where: short stacking energy: -277.599
Base-Backbone interact. energy: -1.023
local terms energy: -288.180681
where:
bonds (distance) C4'-P energy: -53.517
bonds (distance) P-C4' energy: -55.683
flat angles C4'-P-C4' energy: -57.399
flat angles P-C4'-P energy: -46.851
tors. eta vs tors. theta energy: -74.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -853.926783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.926783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.926783 (E_RNA)
where:
Base-Base interactions energy: -561.429
where: short stacking energy: -238.351
Base-Backbone interact. energy: -1.426
local terms energy: -291.071998
where:
bonds (distance) C4'-P energy: -58.895
bonds (distance) P-C4' energy: -61.227
flat angles C4'-P-C4' energy: -65.976
flat angles P-C4'-P energy: -43.887
tors. eta vs tors. theta energy: -61.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -843.675635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.675635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.675635 (E_RNA)
where:
Base-Base interactions energy: -587.916
where: short stacking energy: -232.323
Base-Backbone interact. energy: -0.929
local terms energy: -254.830796
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -44.949
flat angles C4'-P-C4' energy: -56.169
flat angles P-C4'-P energy: -35.541
tors. eta vs tors. theta energy: -57.483
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: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -748.166426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.166426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.166426 (E_RNA)
where:
Base-Base interactions energy: -508.551
where: short stacking energy: -233.105
Base-Backbone interact. energy: -0.436
local terms energy: -239.179335
where:
bonds (distance) C4'-P energy: -48.029
bonds (distance) P-C4' energy: -52.937
flat angles C4'-P-C4' energy: -65.317
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -44.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -747.148775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.148775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.148775 (E_RNA)
where:
Base-Base interactions energy: -484.959
where: short stacking energy: -231.782
Base-Backbone interact. energy: -1.414
local terms energy: -260.775648
where:
bonds (distance) C4'-P energy: -53.187
bonds (distance) P-C4' energy: -52.612
flat angles C4'-P-C4' energy: -54.946
flat angles P-C4'-P energy: -41.947
tors. eta vs tors. theta energy: -58.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -582.701207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.701207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.701207 (E_RNA)
where:
Base-Base interactions energy: -376.718
where: short stacking energy: -165.397
Base-Backbone interact. energy: 2.287
local terms energy: -208.269909
where:
bonds (distance) C4'-P energy: -47.610
bonds (distance) P-C4' energy: -56.173
flat angles C4'-P-C4' energy: -54.161
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -28.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -376.492284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.492284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.492284 (E_RNA)
where:
Base-Base interactions energy: -217.544
where: short stacking energy: -126.048
Base-Backbone interact. energy: 1.008
local terms energy: -159.955788
where:
bonds (distance) C4'-P energy: -41.623
bonds (distance) P-C4' energy: -41.572
flat angles C4'-P-C4' energy: -37.937
flat angles P-C4'-P energy: -24.614
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: 1, replica: 10
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1079.427220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.427220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.427220 (E_RNA)
where:
Base-Base interactions energy: -747.741
where: short stacking energy: -338.699
Base-Backbone interact. energy: -0.319
local terms energy: -331.367258
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -63.867
flat angles C4'-P-C4' energy: -71.034
flat angles P-C4'-P energy: -47.258
tors. eta vs tors. theta energy: -99.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1097.347463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.347463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.347463 (E_RNA)
where:
Base-Base interactions energy: -767.917
where: short stacking energy: -337.095
Base-Backbone interact. energy: -0.755
local terms energy: -328.676100
where:
bonds (distance) C4'-P energy: -65.592
bonds (distance) P-C4' energy: -60.265
flat angles C4'-P-C4' energy: -67.942
flat angles P-C4'-P energy: -37.199
tors. eta vs tors. theta energy: -97.679
Dist. restrs. and SS energy: 0.000 (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: 403
Temperature: 1.000000
Total energy: -996.895469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.895469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.895469 (E_RNA)
where:
Base-Base interactions energy: -672.640
where: short stacking energy: -295.626
Base-Backbone interact. energy: -0.758
local terms energy: -323.497665
where:
bonds (distance) C4'-P energy: -56.844
bonds (distance) P-C4' energy: -56.165
flat angles C4'-P-C4' energy: -64.771
flat angles P-C4'-P energy: -49.472
tors. eta vs tors. theta energy: -96.246
Dist. restrs. and SS energy: 0.000 (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: 403
Temperature: 1.050000
Total energy: -962.433262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.433262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.433262 (E_RNA)
where:
Base-Base interactions energy: -655.269
where: short stacking energy: -280.000
Base-Backbone interact. energy: 1.234
local terms energy: -308.398323
where:
bonds (distance) C4'-P energy: -60.249
bonds (distance) P-C4' energy: -57.583
flat angles C4'-P-C4' energy: -68.632
flat angles P-C4'-P energy: -39.254
tors. eta vs tors. theta energy: -82.679
Dist. restrs. and SS energy: 0.000 (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: 403
Temperature: 1.100000
Total energy: -855.430076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.430076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.430076 (E_RNA)
where:
Base-Base interactions energy: -579.902
where: short stacking energy: -248.896
Base-Backbone interact. energy: -1.050
local terms energy: -274.478359
where:
bonds (distance) C4'-P energy: -56.413
bonds (distance) P-C4' energy: -56.866
flat angles C4'-P-C4' energy: -59.097
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -68.722
Dist. restrs. and SS energy: 0.000 (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: 403
Temperature: 1.150000
Total energy: -840.030535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.030535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.030535 (E_RNA)
where:
Base-Base interactions energy: -562.216
where: short stacking energy: -224.902
Base-Backbone interact. energy: 0.876
local terms energy: -278.690109
where:
bonds (distance) C4'-P energy: -53.744
bonds (distance) P-C4' energy: -58.144
flat angles C4'-P-C4' energy: -59.761
flat angles P-C4'-P energy: -41.953
tors. eta vs tors. theta energy: -65.088
Dist. restrs. and SS energy: 0.000 (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: 403
Temperature: 1.200000
Total energy: -743.550309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.550309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.550309 (E_RNA)
where:
Base-Base interactions energy: -493.347
where: short stacking energy: -222.733
Base-Backbone interact. energy: 0.014
local terms energy: -250.217010
where:
bonds (distance) C4'-P energy: -54.677
bonds (distance) P-C4' energy: -60.809
flat angles C4'-P-C4' energy: -55.076
flat angles P-C4'-P energy: -33.633
tors. eta vs tors. theta energy: -46.022
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: 8, replica: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -704.297040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.297040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.297040 (E_RNA)
where:
Base-Base interactions energy: -475.373
where: short stacking energy: -206.867
Base-Backbone interact. energy: -0.885
local terms energy: -228.038803
where:
bonds (distance) C4'-P energy: -48.905
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -50.502
flat angles P-C4'-P energy: -37.922
tors. eta vs tors. theta energy: -36.605
Dist. restrs. and SS energy: 0.000 (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: 403
Temperature: 1.300000
Total energy: -566.793227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.793227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.793227 (E_RNA)
where:
Base-Base interactions energy: -371.822
where: short stacking energy: -165.105
Base-Backbone interact. energy: 1.053
local terms energy: -196.024041
where:
bonds (distance) C4'-P energy: -51.763
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -43.739
flat angles P-C4'-P energy: -35.428
tors. eta vs tors. theta energy: -21.810
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: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -352.553634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.553634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.553634 (E_RNA)
where:
Base-Base interactions energy: -180.497
where: short stacking energy: -103.672
Base-Backbone interact. energy: -1.181
local terms energy: -170.876443
where:
bonds (distance) C4'-P energy: -49.005
bonds (distance) P-C4' energy: -44.629
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: -3.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1095.314372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.314372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.314372 (E_RNA)
where:
Base-Base interactions energy: -760.317
where: short stacking energy: -335.239
Base-Backbone interact. energy: 0.295
local terms energy: -335.292648
where:
bonds (distance) C4'-P energy: -61.434
bonds (distance) P-C4' energy: -56.753
flat angles C4'-P-C4' energy: -67.065
flat angles P-C4'-P energy: -50.369
tors. eta vs tors. theta energy: -99.672
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: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1055.796777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.796777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.796777 (E_RNA)
where:
Base-Base interactions energy: -717.098
where: short stacking energy: -327.641
Base-Backbone interact. energy: -0.851
local terms energy: -337.847730
where:
bonds (distance) C4'-P energy: -66.213
bonds (distance) P-C4' energy: -65.908
flat angles C4'-P-C4' energy: -62.585
flat angles P-C4'-P energy: -52.361
tors. eta vs tors. theta energy: -90.781
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: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -971.775077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.775077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.775077 (E_RNA)
where:
Base-Base interactions energy: -682.111
where: short stacking energy: -290.362
Base-Backbone interact. energy: 2.718
local terms energy: -292.382213
where:
bonds (distance) C4'-P energy: -51.602
bonds (distance) P-C4' energy: -58.444
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -46.915
tors. eta vs tors. theta energy: -75.137
Dist. restrs. and SS energy: 0.000 (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: 404
Temperature: 1.050000
Total energy: -988.525324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.525324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.525324 (E_RNA)
where:
Base-Base interactions energy: -677.855
where: short stacking energy: -290.678
Base-Backbone interact. energy: -0.999
local terms energy: -309.671415
where:
bonds (distance) C4'-P energy: -56.284
bonds (distance) P-C4' energy: -57.455
flat angles C4'-P-C4' energy: -64.237
flat angles P-C4'-P energy: -44.054
tors. eta vs tors. theta energy: -87.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -852.875231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.875231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.875231 (E_RNA)
where:
Base-Base interactions energy: -574.086
where: short stacking energy: -259.543
Base-Backbone interact. energy: -0.975
local terms energy: -277.814294
where:
bonds (distance) C4'-P energy: -53.415
bonds (distance) P-C4' energy: -58.919
flat angles C4'-P-C4' energy: -68.212
flat angles P-C4'-P energy: -29.067
tors. eta vs tors. theta energy: -68.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -852.591116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.591116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.591116 (E_RNA)
where:
Base-Base interactions energy: -579.357
where: short stacking energy: -231.845
Base-Backbone interact. energy: -1.652
local terms energy: -271.582878
where:
bonds (distance) C4'-P energy: -53.889
bonds (distance) P-C4' energy: -56.817
flat angles C4'-P-C4' energy: -58.698
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -65.270
Dist. restrs. and SS energy: 0.000 (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: 404
Temperature: 1.200000
Total energy: -751.159061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.159061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.159061 (E_RNA)
where:
Base-Base interactions energy: -505.175
where: short stacking energy: -201.845
Base-Backbone interact. energy: 0.198
local terms energy: -246.182145
where:
bonds (distance) C4'-P energy: -47.885
bonds (distance) P-C4' energy: -52.073
flat angles C4'-P-C4' energy: -53.065
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -52.453
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: 8, replica: 3
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -767.214782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.214782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.214782 (E_RNA)
where:
Base-Base interactions energy: -535.818
where: short stacking energy: -239.101
Base-Backbone interact. energy: 0.739
local terms energy: -232.135866
where:
bonds (distance) C4'-P energy: -48.134
bonds (distance) P-C4' energy: -39.648
flat angles C4'-P-C4' energy: -53.152
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: -56.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -562.432376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.432376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.432376 (E_RNA)
where:
Base-Base interactions energy: -354.375
where: short stacking energy: -165.491
Base-Backbone interact. energy: 1.419
local terms energy: -209.476887
where:
bonds (distance) C4'-P energy: -50.049
bonds (distance) P-C4' energy: -48.911
flat angles C4'-P-C4' energy: -51.927
flat angles P-C4'-P energy: -30.626
tors. eta vs tors. theta energy: -27.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -395.137999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.137999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.137999 (E_RNA)
where:
Base-Base interactions energy: -209.603
where: short stacking energy: -107.365
Base-Backbone interact. energy: -1.444
local terms energy: -184.090465
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -50.168
flat angles C4'-P-C4' energy: -44.555
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -7.205
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: 1, replica: 8
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1084.577631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.577631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.577631 (E_RNA)
where:
Base-Base interactions energy: -757.930
where: short stacking energy: -342.549
Base-Backbone interact. energy: 1.316
local terms energy: -327.963561
where:
bonds (distance) C4'-P energy: -60.223
bonds (distance) P-C4' energy: -53.832
flat angles C4'-P-C4' energy: -74.698
flat angles P-C4'-P energy: -46.092
tors. eta vs tors. theta energy: -93.120
Dist. restrs. and SS energy: 0.000 (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: 405
Temperature: 0.950000
Total energy: -1049.979011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.979011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.979011 (E_RNA)
where:
Base-Base interactions energy: -721.305
where: short stacking energy: -321.152
Base-Backbone interact. energy: 0.111
local terms energy: -328.785266
where:
bonds (distance) C4'-P energy: -58.305
bonds (distance) P-C4' energy: -56.411
flat angles C4'-P-C4' energy: -70.713
flat angles P-C4'-P energy: -47.917
tors. eta vs tors. theta energy: -95.439
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: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -974.788018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.788018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.788018 (E_RNA)
where:
Base-Base interactions energy: -673.698
where: short stacking energy: -288.976
Base-Backbone interact. energy: 2.920
local terms energy: -304.009907
where:
bonds (distance) C4'-P energy: -61.511
bonds (distance) P-C4' energy: -56.353
flat angles C4'-P-C4' energy: -61.718
flat angles P-C4'-P energy: -40.884
tors. eta vs tors. theta energy: -83.544
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: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -978.531726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.531726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.531726 (E_RNA)
where:
Base-Base interactions energy: -683.344
where: short stacking energy: -284.314
Base-Backbone interact. energy: -0.078
local terms energy: -295.108788
where:
bonds (distance) C4'-P energy: -50.575
bonds (distance) P-C4' energy: -45.914
flat angles C4'-P-C4' energy: -59.489
flat angles P-C4'-P energy: -51.569
tors. eta vs tors. theta energy: -87.561
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: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -871.861301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.861301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.861301 (E_RNA)
where:
Base-Base interactions energy: -594.198
where: short stacking energy: -253.248
Base-Backbone interact. energy: -1.235
local terms energy: -276.428777
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -62.420
flat angles C4'-P-C4' energy: -65.287
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -61.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -829.809375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.809375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.809375 (E_RNA)
where:
Base-Base interactions energy: -552.460
where: short stacking energy: -228.431
Base-Backbone interact. energy: -1.186
local terms energy: -276.163184
where:
bonds (distance) C4'-P energy: -66.415
bonds (distance) P-C4' energy: -61.829
flat angles C4'-P-C4' energy: -47.971
flat angles P-C4'-P energy: -38.127
tors. eta vs tors. theta energy: -61.821
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: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -724.150663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.150663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.150663 (E_RNA)
where:
Base-Base interactions energy: -499.393
where: short stacking energy: -226.264
Base-Backbone interact. energy: -0.896
local terms energy: -223.861277
where:
bonds (distance) C4'-P energy: -39.840
bonds (distance) P-C4' energy: -51.801
flat angles C4'-P-C4' energy: -58.368
flat angles P-C4'-P energy: -22.659
tors. eta vs tors. theta energy: -51.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -773.116073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.116073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.116073 (E_RNA)
where:
Base-Base interactions energy: -529.007
where: short stacking energy: -226.290
Base-Backbone interact. energy: -0.371
local terms energy: -243.738130
where:
bonds (distance) C4'-P energy: -45.072
bonds (distance) P-C4' energy: -51.326
flat angles C4'-P-C4' energy: -60.558
flat angles P-C4'-P energy: -30.615
tors. eta vs tors. theta energy: -56.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -489.417794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.417794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.417794 (E_RNA)
where:
Base-Base interactions energy: -297.129
where: short stacking energy: -144.042
Base-Backbone interact. energy: -1.575
local terms energy: -190.714230
where:
bonds (distance) C4'-P energy: -54.469
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (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: 405
Temperature: 1.350000
Total energy: -450.775064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.775064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.775064 (E_RNA)
where:
Base-Base interactions energy: -266.417
where: short stacking energy: -122.386
Base-Backbone interact. energy: 0.725
local terms energy: -185.083467
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -54.223
flat angles C4'-P-C4' energy: -35.411
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -22.210
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: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1086.479661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.479661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.479661 (E_RNA)
where:
Base-Base interactions energy: -739.083
where: short stacking energy: -335.786
Base-Backbone interact. energy: -2.787
local terms energy: -344.610163
where:
bonds (distance) C4'-P energy: -61.290
bonds (distance) P-C4' energy: -62.139
flat angles C4'-P-C4' energy: -69.445
flat angles P-C4'-P energy: -49.506
tors. eta vs tors. theta energy: -102.230
Dist. restrs. and SS energy: 0.000 (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: -1051.424356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.424356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.424356 (E_RNA)
where:
Base-Base interactions energy: -739.070
where: short stacking energy: -317.982
Base-Backbone interact. energy: 0.142
local terms energy: -312.496912
where:
bonds (distance) C4'-P energy: -61.294
bonds (distance) P-C4' energy: -55.998
flat angles C4'-P-C4' energy: -63.464
flat angles P-C4'-P energy: -46.554
tors. eta vs tors. theta energy: -85.187
Dist. restrs. and SS energy: 0.000 (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: 406
Temperature: 1.000000
Total energy: -1006.107829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.107829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.107829 (E_RNA)
where:
Base-Base interactions energy: -694.400
where: short stacking energy: -312.278
Base-Backbone interact. energy: -0.395
local terms energy: -311.312386
where:
bonds (distance) C4'-P energy: -51.176
bonds (distance) P-C4' energy: -55.896
flat angles C4'-P-C4' energy: -73.358
flat angles P-C4'-P energy: -44.053
tors. eta vs tors. theta energy: -86.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -953.130385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.130385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.130385 (E_RNA)
where:
Base-Base interactions energy: -651.731
where: short stacking energy: -292.566
Base-Backbone interact. energy: -1.834
local terms energy: -299.566158
where:
bonds (distance) C4'-P energy: -54.671
bonds (distance) P-C4' energy: -52.607
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -56.030
tors. eta vs tors. theta energy: -74.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -850.961344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.961344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.961344 (E_RNA)
where:
Base-Base interactions energy: -583.686
where: short stacking energy: -252.620
Base-Backbone interact. energy: -0.338
local terms energy: -266.937211
where:
bonds (distance) C4'-P energy: -56.120
bonds (distance) P-C4' energy: -53.379
flat angles C4'-P-C4' energy: -60.020
flat angles P-C4'-P energy: -34.578
tors. eta vs tors. theta energy: -62.839
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -846.487830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.487830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.487830 (E_RNA)
where:
Base-Base interactions energy: -574.672
where: short stacking energy: -247.888
Base-Backbone interact. energy: -0.495
local terms energy: -271.321622
where:
bonds (distance) C4'-P energy: -52.244
bonds (distance) P-C4' energy: -60.869
flat angles C4'-P-C4' energy: -48.296
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -74.060
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: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -789.471435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.471435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.471435 (E_RNA)
where:
Base-Base interactions energy: -536.205
where: short stacking energy: -239.753
Base-Backbone interact. energy: -0.879
local terms energy: -252.387753
where:
bonds (distance) C4'-P energy: -50.657
bonds (distance) P-C4' energy: -48.305
flat angles C4'-P-C4' energy: -61.122
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -47.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -693.597704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.597704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.597704 (E_RNA)
where:
Base-Base interactions energy: -463.329
where: short stacking energy: -211.347
Base-Backbone interact. energy: -0.855
local terms energy: -229.412924
where:
bonds (distance) C4'-P energy: -51.733
bonds (distance) P-C4' energy: -52.511
flat angles C4'-P-C4' energy: -52.891
flat angles P-C4'-P energy: -33.839
tors. eta vs tors. theta energy: -38.439
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: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -498.743402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.743402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.743402 (E_RNA)
where:
Base-Base interactions energy: -282.820
where: short stacking energy: -141.869
Base-Backbone interact. energy: -0.583
local terms energy: -215.340254
where:
bonds (distance) C4'-P energy: -45.243
bonds (distance) P-C4' energy: -65.247
flat angles C4'-P-C4' energy: -46.481
flat angles P-C4'-P energy: -34.911
tors. eta vs tors. theta energy: -23.458
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: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -436.103653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.103653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.103653 (E_RNA)
where:
Base-Base interactions energy: -259.499
where: short stacking energy: -129.481
Base-Backbone interact. energy: -0.827
local terms energy: -175.777574
where:
bonds (distance) C4'-P energy: -35.813
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1097.632556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.632556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.632556 (E_RNA)
where:
Base-Base interactions energy: -763.743
where: short stacking energy: -337.936
Base-Backbone interact. energy: -0.869
local terms energy: -333.020128
where:
bonds (distance) C4'-P energy: -61.537
bonds (distance) P-C4' energy: -55.902
flat angles C4'-P-C4' energy: -66.973
flat angles P-C4'-P energy: -51.550
tors. eta vs tors. theta energy: -97.057
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: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1042.886055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.886055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.886055 (E_RNA)
where:
Base-Base interactions energy: -712.562
where: short stacking energy: -299.629
Base-Backbone interact. energy: -0.849
local terms energy: -329.475976
where:
bonds (distance) C4'-P energy: -61.153
bonds (distance) P-C4' energy: -63.747
flat angles C4'-P-C4' energy: -69.835
flat angles P-C4'-P energy: -45.202
tors. eta vs tors. theta energy: -89.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -992.576820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.576820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.576820 (E_RNA)
where:
Base-Base interactions energy: -692.333
where: short stacking energy: -299.097
Base-Backbone interact. energy: -0.296
local terms energy: -299.947914
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -60.402
flat angles C4'-P-C4' energy: -59.223
flat angles P-C4'-P energy: -40.598
tors. eta vs tors. theta energy: -85.529
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: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -959.499160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.499160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.499160 (E_RNA)
where:
Base-Base interactions energy: -657.253
where: short stacking energy: -299.587
Base-Backbone interact. energy: -2.664
local terms energy: -299.582116
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -57.291
flat angles C4'-P-C4' energy: -63.129
flat angles P-C4'-P energy: -50.434
tors. eta vs tors. theta energy: -74.394
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: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -857.772507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.772507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.772507 (E_RNA)
where:
Base-Base interactions energy: -573.130
where: short stacking energy: -265.251
Base-Backbone interact. energy: -0.212
local terms energy: -284.430035
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -60.960
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -71.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -839.544872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.544872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.544872 (E_RNA)
where:
Base-Base interactions energy: -569.072
where: short stacking energy: -239.077
Base-Backbone interact. energy: -1.104
local terms energy: -269.368343
where:
bonds (distance) C4'-P energy: -50.308
bonds (distance) P-C4' energy: -59.774
flat angles C4'-P-C4' energy: -55.299
flat angles P-C4'-P energy: -39.700
tors. eta vs tors. theta energy: -64.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -834.671625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.671625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.671625 (E_RNA)
where:
Base-Base interactions energy: -569.804
where: short stacking energy: -258.700
Base-Backbone interact. energy: -0.317
local terms energy: -264.551179
where:
bonds (distance) C4'-P energy: -45.584
bonds (distance) P-C4' energy: -61.777
flat angles C4'-P-C4' energy: -63.264
flat angles P-C4'-P energy: -32.030
tors. eta vs tors. theta energy: -61.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -659.118052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.118052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.118052 (E_RNA)
where:
Base-Base interactions energy: -429.044
where: short stacking energy: -191.856
Base-Backbone interact. energy: -0.970
local terms energy: -229.103731
where:
bonds (distance) C4'-P energy: -48.466
bonds (distance) P-C4' energy: -58.979
flat angles C4'-P-C4' energy: -51.649
flat angles P-C4'-P energy: -31.257
tors. eta vs tors. theta energy: -38.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -481.761796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.761796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.761796 (E_RNA)
where:
Base-Base interactions energy: -286.233
where: short stacking energy: -161.332
Base-Backbone interact. energy: -0.515
local terms energy: -195.013143
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -57.135
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -471.496470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.496470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.496470 (E_RNA)
where:
Base-Base interactions energy: -280.120
where: short stacking energy: -131.211
Base-Backbone interact. energy: -0.897
local terms energy: -190.479600
where:
bonds (distance) C4'-P energy: -45.778
bonds (distance) P-C4' energy: -48.643
flat angles C4'-P-C4' energy: -43.930
flat angles P-C4'-P energy: -30.218
tors. eta vs tors. theta energy: -21.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1086.465784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.465784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.465784 (E_RNA)
where:
Base-Base interactions energy: -749.381
where: short stacking energy: -328.835
Base-Backbone interact. energy: 1.168
local terms energy: -338.252805
where:
bonds (distance) C4'-P energy: -66.847
bonds (distance) P-C4' energy: -53.168
flat angles C4'-P-C4' energy: -70.598
flat angles P-C4'-P energy: -51.227
tors. eta vs tors. theta energy: -96.414
Dist. restrs. and SS energy: 0.000 (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: 408
Temperature: 0.950000
Total energy: -1054.429352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.429352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.429352 (E_RNA)
where:
Base-Base interactions energy: -719.284
where: short stacking energy: -321.178
Base-Backbone interact. energy: -1.105
local terms energy: -334.040276
where:
bonds (distance) C4'-P energy: -62.869
bonds (distance) P-C4' energy: -60.394
flat angles C4'-P-C4' energy: -62.322
flat angles P-C4'-P energy: -53.396
tors. eta vs tors. theta energy: -95.058
Dist. restrs. and SS energy: 0.000 (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: 408
Temperature: 1.000000
Total energy: -998.890952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.890952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.890952 (E_RNA)
where:
Base-Base interactions energy: -675.828
where: short stacking energy: -302.616
Base-Backbone interact. energy: -0.498
local terms energy: -322.565285
where:
bonds (distance) C4'-P energy: -56.759
bonds (distance) P-C4' energy: -64.354
flat angles C4'-P-C4' energy: -68.490
flat angles P-C4'-P energy: -45.546
tors. eta vs tors. theta energy: -87.416
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: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -960.519078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.519078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.519078 (E_RNA)
where:
Base-Base interactions energy: -662.733
where: short stacking energy: -278.672
Base-Backbone interact. energy: -1.760
local terms energy: -296.025573
where:
bonds (distance) C4'-P energy: -65.854
bonds (distance) P-C4' energy: -58.888
flat angles C4'-P-C4' energy: -59.503
flat angles P-C4'-P energy: -37.111
tors. eta vs tors. theta energy: -74.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -845.760369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.760369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.760369 (E_RNA)
where:
Base-Base interactions energy: -576.140
where: short stacking energy: -252.020
Base-Backbone interact. energy: 0.421
local terms energy: -270.041062
where:
bonds (distance) C4'-P energy: -50.911
bonds (distance) P-C4' energy: -52.776
flat angles C4'-P-C4' energy: -64.069
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: -57.398
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: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -830.648249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.648249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.648249 (E_RNA)
where:
Base-Base interactions energy: -568.274
where: short stacking energy: -253.587
Base-Backbone interact. energy: 0.583
local terms energy: -262.957654
where:
bonds (distance) C4'-P energy: -56.767
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -60.251
flat angles P-C4'-P energy: -35.182
tors. eta vs tors. theta energy: -55.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -812.765217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.765217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.765217 (E_RNA)
where:
Base-Base interactions energy: -546.547
where: short stacking energy: -246.557
Base-Backbone interact. energy: 0.755
local terms energy: -266.973570
where:
bonds (distance) C4'-P energy: -50.479
bonds (distance) P-C4' energy: -59.558
flat angles C4'-P-C4' energy: -51.575
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: -73.207
Dist. restrs. and SS energy: 0.000 (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: 408
Temperature: 1.250000
Total energy: -703.751731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.751731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.751731 (E_RNA)
where:
Base-Base interactions energy: -454.799
where: short stacking energy: -195.607
Base-Backbone interact. energy: 0.466
local terms energy: -249.418709
where:
bonds (distance) C4'-P energy: -46.046
bonds (distance) P-C4' energy: -59.135
flat angles C4'-P-C4' energy: -55.709
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -52.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -520.162341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.162341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.162341 (E_RNA)
where:
Base-Base interactions energy: -318.512
where: short stacking energy: -157.686
Base-Backbone interact. energy: -0.304
local terms energy: -201.346120
where:
bonds (distance) C4'-P energy: -39.224
bonds (distance) P-C4' energy: -55.687
flat angles C4'-P-C4' energy: -52.765
flat angles P-C4'-P energy: -28.127
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -436.305480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.305480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.305480 (E_RNA)
where:
Base-Base interactions energy: -236.417
where: short stacking energy: -115.258
Base-Backbone interact. energy: -1.148
local terms energy: -198.740831
where:
bonds (distance) C4'-P energy: -63.994
bonds (distance) P-C4' energy: -59.944
flat angles C4'-P-C4' energy: -53.356
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1080.197445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.197445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.197445 (E_RNA)
where:
Base-Base interactions energy: -763.130
where: short stacking energy: -339.192
Base-Backbone interact. energy: -2.879
local terms energy: -314.187820
where:
bonds (distance) C4'-P energy: -54.297
bonds (distance) P-C4' energy: -50.099
flat angles C4'-P-C4' energy: -64.135
flat angles P-C4'-P energy: -49.848
tors. eta vs tors. theta energy: -95.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1065.455280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.455280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.455280 (E_RNA)
where:
Base-Base interactions energy: -732.060
where: short stacking energy: -322.135
Base-Backbone interact. energy: -0.720
local terms energy: -332.676078
where:
bonds (distance) C4'-P energy: -57.879
bonds (distance) P-C4' energy: -59.295
flat angles C4'-P-C4' energy: -71.322
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -93.118
Dist. restrs. and SS energy: 0.000 (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: 409
Temperature: 1.000000
Total energy: -991.421653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.421653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.421653 (E_RNA)
where:
Base-Base interactions energy: -656.564
where: short stacking energy: -305.264
Base-Backbone interact. energy: -0.899
local terms energy: -333.958505
where:
bonds (distance) C4'-P energy: -64.664
bonds (distance) P-C4' energy: -66.532
flat angles C4'-P-C4' energy: -63.725
flat angles P-C4'-P energy: -46.847
tors. eta vs tors. theta energy: -92.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -940.662926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.662926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.662926 (E_RNA)
where:
Base-Base interactions energy: -637.682
where: short stacking energy: -271.421
Base-Backbone interact. energy: -4.040
local terms energy: -298.940794
where:
bonds (distance) C4'-P energy: -61.745
bonds (distance) P-C4' energy: -49.795
flat angles C4'-P-C4' energy: -63.503
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -80.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -843.871375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.871375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.871375 (E_RNA)
where:
Base-Base interactions energy: -575.648
where: short stacking energy: -249.732
Base-Backbone interact. energy: -0.072
local terms energy: -268.151733
where:
bonds (distance) C4'-P energy: -48.063
bonds (distance) P-C4' energy: -51.449
flat angles C4'-P-C4' energy: -58.775
flat angles P-C4'-P energy: -41.336
tors. eta vs tors. theta energy: -68.529
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: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -832.410822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.410822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.410822 (E_RNA)
where:
Base-Base interactions energy: -587.897
where: short stacking energy: -261.039
Base-Backbone interact. energy: -0.116
local terms energy: -244.398219
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -58.433
flat angles C4'-P-C4' energy: -65.968
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -53.886
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: 7, replica: 4
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -807.073523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.073523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.073523 (E_RNA)
where:
Base-Base interactions energy: -548.872
where: short stacking energy: -239.671
Base-Backbone interact. energy: 3.335
local terms energy: -261.536227
where:
bonds (distance) C4'-P energy: -55.122
bonds (distance) P-C4' energy: -59.349
flat angles C4'-P-C4' energy: -55.055
flat angles P-C4'-P energy: -35.968
tors. eta vs tors. theta energy: -56.043
Dist. restrs. and SS energy: 0.000 (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: 409
Temperature: 1.250000
Total energy: -700.518855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.518855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.518855 (E_RNA)
where:
Base-Base interactions energy: -459.050
where: short stacking energy: -197.883
Base-Backbone interact. energy: -1.728
local terms energy: -239.740841
where:
bonds (distance) C4'-P energy: -54.432
bonds (distance) P-C4' energy: -52.807
flat angles C4'-P-C4' energy: -47.916
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -46.417
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: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -533.766613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.766613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.766613 (E_RNA)
where:
Base-Base interactions energy: -303.197
where: short stacking energy: -149.535
Base-Backbone interact. energy: -1.037
local terms energy: -229.532889
where:
bonds (distance) C4'-P energy: -50.280
bonds (distance) P-C4' energy: -53.401
flat angles C4'-P-C4' energy: -58.315
flat angles P-C4'-P energy: -43.864
tors. eta vs tors. theta energy: -23.673
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: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -452.011690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.011690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.011690 (E_RNA)
where:
Base-Base interactions energy: -252.625
where: short stacking energy: -130.419
Base-Backbone interact. energy: -2.075
local terms energy: -197.312103
where:
bonds (distance) C4'-P energy: -50.641
bonds (distance) P-C4' energy: -49.603
flat angles C4'-P-C4' energy: -51.373
flat angles P-C4'-P energy: -28.958
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: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1083.182655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.182655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.182655 (E_RNA)
where:
Base-Base interactions energy: -751.530
where: short stacking energy: -336.009
Base-Backbone interact. energy: 1.246
local terms energy: -332.898894
where:
bonds (distance) C4'-P energy: -63.110
bonds (distance) P-C4' energy: -60.845
flat angles C4'-P-C4' energy: -66.677
flat angles P-C4'-P energy: -45.520
tors. eta vs tors. theta energy: -96.747
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: 2, replica: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1049.085346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.085346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.085346 (E_RNA)
where:
Base-Base interactions energy: -721.492
where: short stacking energy: -318.560
Base-Backbone interact. energy: -0.394
local terms energy: -327.199087
where:
bonds (distance) C4'-P energy: -58.629
bonds (distance) P-C4' energy: -57.921
flat angles C4'-P-C4' energy: -68.082
flat angles P-C4'-P energy: -53.461
tors. eta vs tors. theta energy: -89.106
Dist. restrs. and SS energy: 0.000 (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: 410
Temperature: 1.000000
Total energy: -997.413138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.413138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.413138 (E_RNA)
where:
Base-Base interactions energy: -665.271
where: short stacking energy: -302.489
Base-Backbone interact. energy: -1.061
local terms energy: -331.081895
where:
bonds (distance) C4'-P energy: -61.765
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -67.948
flat angles P-C4'-P energy: -45.146
tors. eta vs tors. theta energy: -95.291
Dist. restrs. and SS energy: 0.000 (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: 410
Temperature: 1.050000
Total energy: -929.372024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.372024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.372024 (E_RNA)
where:
Base-Base interactions energy: -633.504
where: short stacking energy: -280.849
Base-Backbone interact. energy: -3.377
local terms energy: -292.491113
where:
bonds (distance) C4'-P energy: -56.628
bonds (distance) P-C4' energy: -51.948
flat angles C4'-P-C4' energy: -60.455
flat angles P-C4'-P energy: -43.603
tors. eta vs tors. theta energy: -79.858
Dist. restrs. and SS energy: 0.000 (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: 410
Temperature: 1.100000
Total energy: -851.366953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.366953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.366953 (E_RNA)
where:
Base-Base interactions energy: -573.997
where: short stacking energy: -252.534
Base-Backbone interact. energy: -0.467
local terms energy: -276.902601
where:
bonds (distance) C4'-P energy: -49.454
bonds (distance) P-C4' energy: -60.544
flat angles C4'-P-C4' energy: -60.457
flat angles P-C4'-P energy: -38.895
tors. eta vs tors. theta energy: -67.554
Dist. restrs. and SS energy: 0.000 (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: 410
Temperature: 1.150000
Total energy: -833.473519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.473519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.473519 (E_RNA)
where:
Base-Base interactions energy: -551.024
where: short stacking energy: -254.984
Base-Backbone interact. energy: -1.576
local terms energy: -280.873266
where:
bonds (distance) C4'-P energy: -60.265
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -63.833
flat angles P-C4'-P energy: -46.366
tors. eta vs tors. theta energy: -58.832
Dist. restrs. and SS energy: 0.000 (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: 410
Temperature: 1.200000
Total energy: -785.055529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.055529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.055529 (E_RNA)
where:
Base-Base interactions energy: -526.709
where: short stacking energy: -235.648
Base-Backbone interact. energy: -0.006
local terms energy: -258.340334
where:
bonds (distance) C4'-P energy: -47.685
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -55.684
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: -61.058
Dist. restrs. and SS energy: 0.000 (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: 410
Temperature: 1.250000
Total energy: -650.556706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.556706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.556706 (E_RNA)
where:
Base-Base interactions energy: -412.719
where: short stacking energy: -191.544
Base-Backbone interact. energy: 0.539
local terms energy: -238.377170
where:
bonds (distance) C4'-P energy: -55.510
bonds (distance) P-C4' energy: -51.446
flat angles C4'-P-C4' energy: -52.140
flat angles P-C4'-P energy: -31.754
tors. eta vs tors. theta energy: -47.527
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: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -502.963347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.963347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.963347 (E_RNA)
where:
Base-Base interactions energy: -300.064
where: short stacking energy: -147.437
Base-Backbone interact. energy: 0.007
local terms energy: -202.906997
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -50.192
flat angles C4'-P-C4' energy: -50.236
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: -26.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -475.517577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.517577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.517577 (E_RNA)
where:
Base-Base interactions energy: -293.016
where: short stacking energy: -146.685
Base-Backbone interact. energy: -1.385
local terms energy: -181.116877
where:
bonds (distance) C4'-P energy: -37.234
bonds (distance) P-C4' energy: -50.895
flat angles C4'-P-C4' energy: -44.344
flat angles P-C4'-P energy: -31.322
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1082.056033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.056033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.056033 (E_RNA)
where:
Base-Base interactions energy: -749.594
where: short stacking energy: -321.501
Base-Backbone interact. energy: -1.836
local terms energy: -330.625867
where:
bonds (distance) C4'-P energy: -59.299
bonds (distance) P-C4' energy: -54.973
flat angles C4'-P-C4' energy: -65.717
flat angles P-C4'-P energy: -54.111
tors. eta vs tors. theta energy: -96.525
Dist. restrs. and SS energy: 0.000 (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: 411
Temperature: 0.950000
Total energy: -1040.003588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.003588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.003588 (E_RNA)
where:
Base-Base interactions energy: -697.228
where: short stacking energy: -303.217
Base-Backbone interact. energy: -0.802
local terms energy: -341.973583
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -64.040
flat angles C4'-P-C4' energy: -72.197
flat angles P-C4'-P energy: -47.745
tors. eta vs tors. theta energy: -95.702
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: 3, replica: 10
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1024.939875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.939875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.939875 (E_RNA)
where:
Base-Base interactions energy: -707.269
where: short stacking energy: -303.502
Base-Backbone interact. energy: 3.271
local terms energy: -320.942151
where:
bonds (distance) C4'-P energy: -54.152
bonds (distance) P-C4' energy: -66.460
flat angles C4'-P-C4' energy: -61.114
flat angles P-C4'-P energy: -52.037
tors. eta vs tors. theta energy: -87.179
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: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -885.647473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.647473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.647473 (E_RNA)
where:
Base-Base interactions energy: -606.177
where: short stacking energy: -280.143
Base-Backbone interact. energy: -2.612
local terms energy: -276.858046
where:
bonds (distance) C4'-P energy: -58.577
bonds (distance) P-C4' energy: -45.088
flat angles C4'-P-C4' energy: -57.586
flat angles P-C4'-P energy: -38.746
tors. eta vs tors. theta energy: -76.861
Dist. restrs. and SS energy: 0.000 (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: 411
Temperature: 1.100000
Total energy: -920.199529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.199529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.199529 (E_RNA)
where:
Base-Base interactions energy: -630.117
where: short stacking energy: -271.418
Base-Backbone interact. energy: -2.162
local terms energy: -287.920092
where:
bonds (distance) C4'-P energy: -57.555
bonds (distance) P-C4' energy: -50.412
flat angles C4'-P-C4' energy: -60.166
flat angles P-C4'-P energy: -42.210
tors. eta vs tors. theta energy: -77.576
Dist. restrs. and SS energy: 0.000 (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: 411
Temperature: 1.150000
Total energy: -855.500421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.500421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.500421 (E_RNA)
where:
Base-Base interactions energy: -583.512
where: short stacking energy: -243.166
Base-Backbone interact. energy: 0.498
local terms energy: -272.486032
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -65.592
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -47.704
tors. eta vs tors. theta energy: -56.811
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: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -801.094540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.094540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.094540 (E_RNA)
where:
Base-Base interactions energy: -571.860
where: short stacking energy: -232.077
Base-Backbone interact. energy: -0.167
local terms energy: -229.067245
where:
bonds (distance) C4'-P energy: -40.636
bonds (distance) P-C4' energy: -52.717
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: -53.945
Dist. restrs. and SS energy: 0.000 (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: 411
Temperature: 1.250000
Total energy: -661.937085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.937085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.937085 (E_RNA)
where:
Base-Base interactions energy: -430.535
where: short stacking energy: -187.533
Base-Backbone interact. energy: -0.465
local terms energy: -230.937394
where:
bonds (distance) C4'-P energy: -45.763
bonds (distance) P-C4' energy: -51.492
flat angles C4'-P-C4' energy: -50.198
flat angles P-C4'-P energy: -31.542
tors. eta vs tors. theta energy: -51.942
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: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -444.568099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.568099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.568099 (E_RNA)
where:
Base-Base interactions energy: -243.137
where: short stacking energy: -126.003
Base-Backbone interact. energy: -0.608
local terms energy: -200.823220
where:
bonds (distance) C4'-P energy: -50.778
bonds (distance) P-C4' energy: -54.687
flat angles C4'-P-C4' energy: -48.973
flat angles P-C4'-P energy: -30.894
tors. eta vs tors. theta energy: -15.490
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: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -468.651889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.651889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.651889 (E_RNA)
where:
Base-Base interactions energy: -268.614
where: short stacking energy: -142.048
Base-Backbone interact. energy: -0.121
local terms energy: -199.916995
where:
bonds (distance) C4'-P energy: -53.437
bonds (distance) P-C4' energy: -49.090
flat angles C4'-P-C4' energy: -54.789
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1083.487751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.487751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.487751 (E_RNA)
where:
Base-Base interactions energy: -747.727
where: short stacking energy: -327.872
Base-Backbone interact. energy: -2.495
local terms energy: -333.265785
where:
bonds (distance) C4'-P energy: -64.244
bonds (distance) P-C4' energy: -56.084
flat angles C4'-P-C4' energy: -69.382
flat angles P-C4'-P energy: -48.326
tors. eta vs tors. theta energy: -95.230
Dist. restrs. and SS energy: 0.000 (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: 412
Temperature: 0.950000
Total energy: -1020.394342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.394342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.394342 (E_RNA)
where:
Base-Base interactions energy: -707.132
where: short stacking energy: -309.310
Base-Backbone interact. energy: -0.634
local terms energy: -312.628140
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -57.881
flat angles C4'-P-C4' energy: -65.523
flat angles P-C4'-P energy: -45.585
tors. eta vs tors. theta energy: -87.267
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: 3, replica: 10
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1034.621056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.621056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.621056 (E_RNA)
where:
Base-Base interactions energy: -705.870
where: short stacking energy: -314.806
Base-Backbone interact. energy: -0.984
local terms energy: -327.766999
where:
bonds (distance) C4'-P energy: -62.152
bonds (distance) P-C4' energy: -62.166
flat angles C4'-P-C4' energy: -73.269
flat angles P-C4'-P energy: -45.985
tors. eta vs tors. theta energy: -84.196
Dist. restrs. and SS energy: 0.000 (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: 412
Temperature: 1.050000
Total energy: -879.714377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.714377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.714377 (E_RNA)
where:
Base-Base interactions energy: -601.560
where: short stacking energy: -268.173
Base-Backbone interact. energy: -0.892
local terms energy: -277.262355
where:
bonds (distance) C4'-P energy: -45.693
bonds (distance) P-C4' energy: -61.217
flat angles C4'-P-C4' energy: -53.973
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -71.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -925.544662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.544662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.544662 (E_RNA)
where:
Base-Base interactions energy: -639.357
where: short stacking energy: -279.570
Base-Backbone interact. energy: -1.806
local terms energy: -284.381015
where:
bonds (distance) C4'-P energy: -47.910
bonds (distance) P-C4' energy: -57.397
flat angles C4'-P-C4' energy: -63.041
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -75.987
Dist. restrs. and SS energy: 0.000 (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: 412
Temperature: 1.150000
Total energy: -819.570669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.570669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.570669 (E_RNA)
where:
Base-Base interactions energy: -574.430
where: short stacking energy: -257.033
Base-Backbone interact. energy: 0.203
local terms energy: -245.343392
where:
bonds (distance) C4'-P energy: -44.961
bonds (distance) P-C4' energy: -58.582
flat angles C4'-P-C4' energy: -54.243
flat angles P-C4'-P energy: -31.473
tors. eta vs tors. theta energy: -56.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -824.411967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.411967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.411967 (E_RNA)
where:
Base-Base interactions energy: -579.957
where: short stacking energy: -243.565
Base-Backbone interact. energy: -2.210
local terms energy: -242.245313
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -49.051
flat angles C4'-P-C4' energy: -59.283
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -56.633
Dist. restrs. and SS energy: 0.000 (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: 412
Temperature: 1.250000
Total energy: -699.043346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.043346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.043346 (E_RNA)
where:
Base-Base interactions energy: -449.266
where: short stacking energy: -217.381
Base-Backbone interact. energy: -0.699
local terms energy: -249.078592
where:
bonds (distance) C4'-P energy: -52.051
bonds (distance) P-C4' energy: -51.641
flat angles C4'-P-C4' energy: -62.397
flat angles P-C4'-P energy: -27.324
tors. eta vs tors. theta energy: -55.666
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: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -458.935895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.935895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.935895 (E_RNA)
where:
Base-Base interactions energy: -254.028
where: short stacking energy: -142.306
Base-Backbone interact. energy: -1.671
local terms energy: -203.236307
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -55.796
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: -24.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -426.067276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.067276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.067276 (E_RNA)
where:
Base-Base interactions energy: -255.905
where: short stacking energy: -132.744
Base-Backbone interact. energy: 0.716
local terms energy: -170.878266
where:
bonds (distance) C4'-P energy: -61.764
bonds (distance) P-C4' energy: -45.640
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -5.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1087.427946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.427946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.427946 (E_RNA)
where:
Base-Base interactions energy: -760.083
where: short stacking energy: -336.400
Base-Backbone interact. energy: 1.815
local terms energy: -329.159905
where:
bonds (distance) C4'-P energy: -58.832
bonds (distance) P-C4' energy: -61.102
flat angles C4'-P-C4' energy: -71.535
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -99.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1035.913221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.913221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.913221 (E_RNA)
where:
Base-Base interactions energy: -707.335
where: short stacking energy: -309.482
Base-Backbone interact. energy: -0.252
local terms energy: -328.326491
where:
bonds (distance) C4'-P energy: -65.999
bonds (distance) P-C4' energy: -55.782
flat angles C4'-P-C4' energy: -69.114
flat angles P-C4'-P energy: -41.998
tors. eta vs tors. theta energy: -95.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1028.023635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.023635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.023635 (E_RNA)
where:
Base-Base interactions energy: -702.249
where: short stacking energy: -307.188
Base-Backbone interact. energy: -1.015
local terms energy: -324.759865
where:
bonds (distance) C4'-P energy: -56.563
bonds (distance) P-C4' energy: -59.286
flat angles C4'-P-C4' energy: -64.959
flat angles P-C4'-P energy: -46.811
tors. eta vs tors. theta energy: -97.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -888.190317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.190317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.190317 (E_RNA)
where:
Base-Base interactions energy: -600.339
where: short stacking energy: -260.074
Base-Backbone interact. energy: -0.549
local terms energy: -287.301770
where:
bonds (distance) C4'-P energy: -63.953
bonds (distance) P-C4' energy: -60.521
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -71.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -901.999004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.999004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.999004 (E_RNA)
where:
Base-Base interactions energy: -627.018
where: short stacking energy: -256.492
Base-Backbone interact. energy: -3.020
local terms energy: -271.961217
where:
bonds (distance) C4'-P energy: -50.278
bonds (distance) P-C4' energy: -48.980
flat angles C4'-P-C4' energy: -57.764
flat angles P-C4'-P energy: -49.105
tors. eta vs tors. theta energy: -65.834
Dist. restrs. and SS energy: 0.000 (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: 413
Temperature: 1.150000
Total energy: -836.997127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.997127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.997127 (E_RNA)
where:
Base-Base interactions energy: -566.196
where: short stacking energy: -252.533
Base-Backbone interact. energy: -0.794
local terms energy: -270.007254
where:
bonds (distance) C4'-P energy: -50.627
bonds (distance) P-C4' energy: -58.259
flat angles C4'-P-C4' energy: -50.963
flat angles P-C4'-P energy: -42.562
tors. eta vs tors. theta energy: -67.596
Dist. restrs. and SS energy: 0.000 (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: 413
Temperature: 1.200000
Total energy: -814.409155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.409155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.409155 (E_RNA)
where:
Base-Base interactions energy: -553.614
where: short stacking energy: -223.289
Base-Backbone interact. energy: -2.111
local terms energy: -258.684052
where:
bonds (distance) C4'-P energy: -51.318
bonds (distance) P-C4' energy: -63.491
flat angles C4'-P-C4' energy: -66.046
flat angles P-C4'-P energy: -29.161
tors. eta vs tors. theta energy: -48.667
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: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -665.752384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.752384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.752384 (E_RNA)
where:
Base-Base interactions energy: -427.530
where: short stacking energy: -202.421
Base-Backbone interact. energy: -1.219
local terms energy: -237.003559
where:
bonds (distance) C4'-P energy: -38.869
bonds (distance) P-C4' energy: -50.562
flat angles C4'-P-C4' energy: -56.025
flat angles P-C4'-P energy: -37.091
tors. eta vs tors. theta energy: -54.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -549.742622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.742622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.742622 (E_RNA)
where:
Base-Base interactions energy: -346.524
where: short stacking energy: -151.292
Base-Backbone interact. energy: 2.790
local terms energy: -206.009229
where:
bonds (distance) C4'-P energy: -53.998
bonds (distance) P-C4' energy: -57.037
flat angles C4'-P-C4' energy: -46.524
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -25.988
Dist. restrs. and SS energy: 0.000 (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: 413
Temperature: 1.350000
Total energy: -492.057439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.057439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.057439 (E_RNA)
where:
Base-Base interactions energy: -290.622
where: short stacking energy: -140.819
Base-Backbone interact. energy: 0.541
local terms energy: -201.976690
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -57.243
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: -13.214
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: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1086.193039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.193039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.193039 (E_RNA)
where:
Base-Base interactions energy: -744.710
where: short stacking energy: -316.126
Base-Backbone interact. energy: -0.848
local terms energy: -340.634947
where:
bonds (distance) C4'-P energy: -63.729
bonds (distance) P-C4' energy: -62.938
flat angles C4'-P-C4' energy: -67.928
flat angles P-C4'-P energy: -47.729
tors. eta vs tors. theta energy: -98.310
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: 2, replica: 10
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1045.702421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.702421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.702421 (E_RNA)
where:
Base-Base interactions energy: -735.956
where: short stacking energy: -321.405
Base-Backbone interact. energy: -0.610
local terms energy: -309.136706
where:
bonds (distance) C4'-P energy: -54.754
bonds (distance) P-C4' energy: -54.270
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -42.005
tors. eta vs tors. theta energy: -94.645
Dist. restrs. and SS energy: 0.000 (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: 414
Temperature: 1.000000
Total energy: -1012.586950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.586950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.586950 (E_RNA)
where:
Base-Base interactions energy: -701.538
where: short stacking energy: -307.942
Base-Backbone interact. energy: -0.254
local terms energy: -310.794862
where:
bonds (distance) C4'-P energy: -53.106
bonds (distance) P-C4' energy: -50.046
flat angles C4'-P-C4' energy: -65.446
flat angles P-C4'-P energy: -47.976
tors. eta vs tors. theta energy: -94.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -916.571391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.571391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.571391 (E_RNA)
where:
Base-Base interactions energy: -609.474
where: short stacking energy: -279.051
Base-Backbone interact. energy: 1.117
local terms energy: -308.213805
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -61.567
flat angles C4'-P-C4' energy: -63.858
flat angles P-C4'-P energy: -45.459
tors. eta vs tors. theta energy: -77.388
Dist. restrs. and SS energy: 0.000 (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: 414
Temperature: 1.100000
Total energy: -898.010391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.010391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.010391 (E_RNA)
where:
Base-Base interactions energy: -623.754
where: short stacking energy: -274.246
Base-Backbone interact. energy: -2.462
local terms energy: -271.794331
where:
bonds (distance) C4'-P energy: -52.736
bonds (distance) P-C4' energy: -53.732
flat angles C4'-P-C4' energy: -54.076
flat angles P-C4'-P energy: -38.289
tors. eta vs tors. theta energy: -72.960
Dist. restrs. and SS energy: 0.000 (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: 414
Temperature: 1.150000
Total energy: -787.176757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.176757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.176757 (E_RNA)
where:
Base-Base interactions energy: -530.930
where: short stacking energy: -220.251
Base-Backbone interact. energy: -2.379
local terms energy: -253.867546
where:
bonds (distance) C4'-P energy: -52.104
bonds (distance) P-C4' energy: -48.729
flat angles C4'-P-C4' energy: -61.814
flat angles P-C4'-P energy: -36.569
tors. eta vs tors. theta energy: -54.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -825.530496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.530496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.530496 (E_RNA)
where:
Base-Base interactions energy: -563.392
where: short stacking energy: -234.250
Base-Backbone interact. energy: -0.994
local terms energy: -261.145251
where:
bonds (distance) C4'-P energy: -46.233
bonds (distance) P-C4' energy: -46.662
flat angles C4'-P-C4' energy: -65.494
flat angles P-C4'-P energy: -39.958
tors. eta vs tors. theta energy: -62.798
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: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -661.153830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.153830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.153830 (E_RNA)
where:
Base-Base interactions energy: -453.684
where: short stacking energy: -203.754
Base-Backbone interact. energy: 1.089
local terms energy: -208.559095
where:
bonds (distance) C4'-P energy: -39.453
bonds (distance) P-C4' energy: -50.712
flat angles C4'-P-C4' energy: -55.316
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -34.812
Dist. restrs. and SS energy: 0.000 (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: 414
Temperature: 1.300000
Total energy: -508.576270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.576270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.576270 (E_RNA)
where:
Base-Base interactions energy: -313.439
where: short stacking energy: -144.305
Base-Backbone interact. energy: 3.937
local terms energy: -199.074748
where:
bonds (distance) C4'-P energy: -49.136
bonds (distance) P-C4' energy: -52.288
flat angles C4'-P-C4' energy: -54.897
flat angles P-C4'-P energy: -29.694
tors. eta vs tors. theta energy: -13.060
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: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -482.876688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.876688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.876688 (E_RNA)
where:
Base-Base interactions energy: -292.465
where: short stacking energy: -141.156
Base-Backbone interact. energy: 0.924
local terms energy: -191.335212
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -41.118
flat angles C4'-P-C4' energy: -54.623
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -16.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1098.560675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.560675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.560675 (E_RNA)
where:
Base-Base interactions energy: -762.210
where: short stacking energy: -332.064
Base-Backbone interact. energy: 0.060
local terms energy: -336.410671
where:
bonds (distance) C4'-P energy: -58.202
bonds (distance) P-C4' energy: -55.865
flat angles C4'-P-C4' energy: -76.615
flat angles P-C4'-P energy: -51.806
tors. eta vs tors. theta energy: -93.922
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: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1053.389662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.389662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.389662 (E_RNA)
where:
Base-Base interactions energy: -727.510
where: short stacking energy: -313.161
Base-Backbone interact. energy: -0.990
local terms energy: -324.889441
where:
bonds (distance) C4'-P energy: -58.906
bonds (distance) P-C4' energy: -53.508
flat angles C4'-P-C4' energy: -65.890
flat angles P-C4'-P energy: -48.273
tors. eta vs tors. theta energy: -98.313
Dist. restrs. and SS energy: 0.000 (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: 415
Temperature: 1.000000
Total energy: -1027.316919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.316919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.316919 (E_RNA)
where:
Base-Base interactions energy: -707.134
where: short stacking energy: -318.925
Base-Backbone interact. energy: -0.105
local terms energy: -320.077678
where:
bonds (distance) C4'-P energy: -53.938
bonds (distance) P-C4' energy: -62.902
flat angles C4'-P-C4' energy: -66.353
flat angles P-C4'-P energy: -43.827
tors. eta vs tors. theta energy: -93.058
Dist. restrs. and SS energy: 0.000 (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: 415
Temperature: 1.050000
Total energy: -911.414223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.414223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.414223 (E_RNA)
where:
Base-Base interactions energy: -633.507
where: short stacking energy: -258.222
Base-Backbone interact. energy: 2.464
local terms energy: -280.370774
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -49.008
flat angles C4'-P-C4' energy: -66.116
flat angles P-C4'-P energy: -47.707
tors. eta vs tors. theta energy: -67.324
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: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -863.592311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.592311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.592311 (E_RNA)
where:
Base-Base interactions energy: -593.587
where: short stacking energy: -258.556
Base-Backbone interact. energy: -0.224
local terms energy: -269.780836
where:
bonds (distance) C4'-P energy: -55.661
bonds (distance) P-C4' energy: -48.543
flat angles C4'-P-C4' energy: -56.190
flat angles P-C4'-P energy: -37.888
tors. eta vs tors. theta energy: -71.499
Dist. restrs. and SS energy: 0.000 (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: 415
Temperature: 1.150000
Total energy: -814.612119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.612119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.612119 (E_RNA)
where:
Base-Base interactions energy: -550.233
where: short stacking energy: -241.139
Base-Backbone interact. energy: -0.377
local terms energy: -264.002771
where:
bonds (distance) C4'-P energy: -54.616
bonds (distance) P-C4' energy: -45.263
flat angles C4'-P-C4' energy: -61.084
flat angles P-C4'-P energy: -42.631
tors. eta vs tors. theta energy: -60.409
Dist. restrs. and SS energy: 0.000 (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: 415
Temperature: 1.200000
Total energy: -815.109850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.109850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.109850 (E_RNA)
where:
Base-Base interactions energy: -562.133
where: short stacking energy: -234.158
Base-Backbone interact. energy: -2.788
local terms energy: -250.188732
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -57.554
flat angles C4'-P-C4' energy: -55.938
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -58.270
Dist. restrs. and SS energy: 0.000 (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: 415
Temperature: 1.250000
Total energy: -654.183894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.183894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.183894 (E_RNA)
where:
Base-Base interactions energy: -421.014
where: short stacking energy: -182.774
Base-Backbone interact. energy: -0.126
local terms energy: -233.043850
where:
bonds (distance) C4'-P energy: -51.491
bonds (distance) P-C4' energy: -57.644
flat angles C4'-P-C4' energy: -49.508
flat angles P-C4'-P energy: -31.205
tors. eta vs tors. theta energy: -43.196
Dist. restrs. and SS energy: 0.000 (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: 415
Temperature: 1.300000
Total energy: -531.103189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.103189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.103189 (E_RNA)
where:
Base-Base interactions energy: -307.204
where: short stacking energy: -140.314
Base-Backbone interact. energy: -1.304
local terms energy: -222.595565
where:
bonds (distance) C4'-P energy: -61.194
bonds (distance) P-C4' energy: -58.647
flat angles C4'-P-C4' energy: -50.031
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -34.938
Dist. restrs. and SS energy: 0.000 (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: 415
Temperature: 1.350000
Total energy: -436.188001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.188001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.188001 (E_RNA)
where:
Base-Base interactions energy: -254.757
where: short stacking energy: -117.381
Base-Backbone interact. energy: -0.537
local terms energy: -180.894291
where:
bonds (distance) C4'-P energy: -57.804
bonds (distance) P-C4' energy: -38.827
flat angles C4'-P-C4' energy: -44.015
flat angles P-C4'-P energy: -30.475
tors. eta vs tors. theta energy: -9.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1077.509913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.509913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.509913 (E_RNA)
where:
Base-Base interactions energy: -744.419
where: short stacking energy: -312.756
Base-Backbone interact. energy: -2.111
local terms energy: -330.980018
where:
bonds (distance) C4'-P energy: -64.947
bonds (distance) P-C4' energy: -64.011
flat angles C4'-P-C4' energy: -71.284
flat angles P-C4'-P energy: -40.641
tors. eta vs tors. theta energy: -90.097
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: 2, replica: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1046.663507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.663507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.663507 (E_RNA)
where:
Base-Base interactions energy: -707.211
where: short stacking energy: -319.579
Base-Backbone interact. energy: -0.091
local terms energy: -339.361041
where:
bonds (distance) C4'-P energy: -60.653
bonds (distance) P-C4' energy: -59.526
flat angles C4'-P-C4' energy: -70.759
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -100.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1015.709203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.709203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.709203 (E_RNA)
where:
Base-Base interactions energy: -693.657
where: short stacking energy: -298.420
Base-Backbone interact. energy: -0.712
local terms energy: -321.339690
where:
bonds (distance) C4'-P energy: -54.293
bonds (distance) P-C4' energy: -62.656
flat angles C4'-P-C4' energy: -70.436
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: -89.081
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: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -936.708319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.708319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.708319 (E_RNA)
where:
Base-Base interactions energy: -665.938
where: short stacking energy: -276.499
Base-Backbone interact. energy: -2.300
local terms energy: -268.470957
where:
bonds (distance) C4'-P energy: -52.394
bonds (distance) P-C4' energy: -38.578
flat angles C4'-P-C4' energy: -69.980
flat angles P-C4'-P energy: -40.814
tors. eta vs tors. theta energy: -66.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -862.555184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.555184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.555184 (E_RNA)
where:
Base-Base interactions energy: -585.534
where: short stacking energy: -262.351
Base-Backbone interact. energy: -1.461
local terms energy: -275.560574
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -59.293
flat angles C4'-P-C4' energy: -57.771
flat angles P-C4'-P energy: -32.338
tors. eta vs tors. theta energy: -66.927
Dist. restrs. and SS energy: 0.000 (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: 416
Temperature: 1.150000
Total energy: -826.466528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.466528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.466528 (E_RNA)
where:
Base-Base interactions energy: -569.721
where: short stacking energy: -241.197
Base-Backbone interact. energy: -1.641
local terms energy: -255.104729
where:
bonds (distance) C4'-P energy: -47.187
bonds (distance) P-C4' energy: -48.321
flat angles C4'-P-C4' energy: -53.196
flat angles P-C4'-P energy: -45.173
tors. eta vs tors. theta energy: -61.228
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: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -812.981590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.981590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.981590 (E_RNA)
where:
Base-Base interactions energy: -552.278
where: short stacking energy: -240.761
Base-Backbone interact. energy: 0.154
local terms energy: -260.857403
where:
bonds (distance) C4'-P energy: -53.858
bonds (distance) P-C4' energy: -46.663
flat angles C4'-P-C4' energy: -56.048
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -69.659
Dist. restrs. and SS energy: 0.000 (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: 416
Temperature: 1.250000
Total energy: -640.319455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.319455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.319455 (E_RNA)
where:
Base-Base interactions energy: -407.801
where: short stacking energy: -202.078
Base-Backbone interact. energy: 0.061
local terms energy: -232.578873
where:
bonds (distance) C4'-P energy: -53.956
bonds (distance) P-C4' energy: -56.729
flat angles C4'-P-C4' energy: -49.254
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -37.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -554.335703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.335703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.335703 (E_RNA)
where:
Base-Base interactions energy: -364.255
where: short stacking energy: -184.041
Base-Backbone interact. energy: 1.248
local terms energy: -191.328313
where:
bonds (distance) C4'-P energy: -34.662
bonds (distance) P-C4' energy: -46.975
flat angles C4'-P-C4' energy: -47.357
flat angles P-C4'-P energy: -25.149
tors. eta vs tors. theta energy: -37.185
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: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -475.901830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.901830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.901830 (E_RNA)
where:
Base-Base interactions energy: -279.086
where: short stacking energy: -131.873
Base-Backbone interact. energy: -0.992
local terms energy: -195.824475
where:
bonds (distance) C4'-P energy: -48.924
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -31.373
tors. eta vs tors. theta energy: -22.415
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: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1076.967088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.967088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.967088 (E_RNA)
where:
Base-Base interactions energy: -753.669
where: short stacking energy: -311.072
Base-Backbone interact. energy: -0.792
local terms energy: -322.506007
where:
bonds (distance) C4'-P energy: -64.165
bonds (distance) P-C4' energy: -55.069
flat angles C4'-P-C4' energy: -67.392
flat angles P-C4'-P energy: -43.922
tors. eta vs tors. theta energy: -91.957
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: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1043.879888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.879888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.879888 (E_RNA)
where:
Base-Base interactions energy: -710.790
where: short stacking energy: -330.524
Base-Backbone interact. energy: -0.019
local terms energy: -333.070759
where:
bonds (distance) C4'-P energy: -62.157
bonds (distance) P-C4' energy: -58.163
flat angles C4'-P-C4' energy: -65.238
flat angles P-C4'-P energy: -46.871
tors. eta vs tors. theta energy: -100.642
Dist. restrs. and SS energy: 0.000 (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: 417
Temperature: 1.000000
Total energy: -1013.335334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.335334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.335334 (E_RNA)
where:
Base-Base interactions energy: -694.334
where: short stacking energy: -315.503
Base-Backbone interact. energy: 0.646
local terms energy: -319.648284
where:
bonds (distance) C4'-P energy: -56.699
bonds (distance) P-C4' energy: -56.219
flat angles C4'-P-C4' energy: -64.470
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -97.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -920.167848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.167848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.167848 (E_RNA)
where:
Base-Base interactions energy: -639.616
where: short stacking energy: -252.933
Base-Backbone interact. energy: -2.788
local terms energy: -277.764402
where:
bonds (distance) C4'-P energy: -60.202
bonds (distance) P-C4' energy: -54.606
flat angles C4'-P-C4' energy: -60.179
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -70.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -859.586248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.586248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.586248 (E_RNA)
where:
Base-Base interactions energy: -572.608
where: short stacking energy: -257.892
Base-Backbone interact. energy: -0.450
local terms energy: -286.527948
where:
bonds (distance) C4'-P energy: -50.044
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -65.626
flat angles P-C4'-P energy: -47.542
tors. eta vs tors. theta energy: -64.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -834.152030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.152030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.152030 (E_RNA)
where:
Base-Base interactions energy: -573.435
where: short stacking energy: -245.328
Base-Backbone interact. energy: -1.385
local terms energy: -259.331932
where:
bonds (distance) C4'-P energy: -49.887
bonds (distance) P-C4' energy: -55.974
flat angles C4'-P-C4' energy: -56.817
flat angles P-C4'-P energy: -27.953
tors. eta vs tors. theta energy: -68.701
Dist. restrs. and SS energy: 0.000 (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: 417
Temperature: 1.200000
Total energy: -818.835075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.835075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.835075 (E_RNA)
where:
Base-Base interactions energy: -569.533
where: short stacking energy: -245.293
Base-Backbone interact. energy: -1.353
local terms energy: -247.948458
where:
bonds (distance) C4'-P energy: -48.462
bonds (distance) P-C4' energy: -49.954
flat angles C4'-P-C4' energy: -49.773
flat angles P-C4'-P energy: -32.903
tors. eta vs tors. theta energy: -66.857
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: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -621.597821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.597821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.597821 (E_RNA)
where:
Base-Base interactions energy: -392.034
where: short stacking energy: -182.134
Base-Backbone interact. energy: -1.363
local terms energy: -228.200967
where:
bonds (distance) C4'-P energy: -40.872
bonds (distance) P-C4' energy: -60.944
flat angles C4'-P-C4' energy: -47.644
flat angles P-C4'-P energy: -35.483
tors. eta vs tors. theta energy: -43.258
Dist. restrs. and SS energy: 0.000 (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: 417
Temperature: 1.300000
Total energy: -639.561567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.561567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.561567 (E_RNA)
where:
Base-Base interactions energy: -415.069
where: short stacking energy: -188.913
Base-Backbone interact. energy: 0.190
local terms energy: -224.681872
where:
bonds (distance) C4'-P energy: -44.504
bonds (distance) P-C4' energy: -41.340
flat angles C4'-P-C4' energy: -55.254
flat angles P-C4'-P energy: -41.765
tors. eta vs tors. theta energy: -41.818
Dist. restrs. and SS energy: 0.000 (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: 417
Temperature: 1.350000
Total energy: -458.587988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.587988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.587988 (E_RNA)
where:
Base-Base interactions energy: -248.999
where: short stacking energy: -116.205
Base-Backbone interact. energy: -1.062
local terms energy: -208.526457
where:
bonds (distance) C4'-P energy: -59.660
bonds (distance) P-C4' energy: -51.641
flat angles C4'-P-C4' energy: -54.150
flat angles P-C4'-P energy: -29.526
tors. eta vs tors. theta energy: -13.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1081.724255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.724255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.724255 (E_RNA)
where:
Base-Base interactions energy: -758.784
where: short stacking energy: -338.604
Base-Backbone interact. energy: -1.626
local terms energy: -321.313972
where:
bonds (distance) C4'-P energy: -58.107
bonds (distance) P-C4' energy: -57.322
flat angles C4'-P-C4' energy: -70.569
flat angles P-C4'-P energy: -40.181
tors. eta vs tors. theta energy: -95.136
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: 2, replica: 10
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1046.450170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.450170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.450170 (E_RNA)
where:
Base-Base interactions energy: -722.435
where: short stacking energy: -325.041
Base-Backbone interact. energy: -1.227
local terms energy: -322.788144
where:
bonds (distance) C4'-P energy: -62.174
bonds (distance) P-C4' energy: -49.701
flat angles C4'-P-C4' energy: -72.069
flat angles P-C4'-P energy: -45.693
tors. eta vs tors. theta energy: -93.152
Dist. restrs. and SS energy: 0.000 (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: 418
Temperature: 1.000000
Total energy: -1016.565463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.565463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.565463 (E_RNA)
where:
Base-Base interactions energy: -691.465
where: short stacking energy: -312.088
Base-Backbone interact. energy: -0.031
local terms energy: -325.069247
where:
bonds (distance) C4'-P energy: -60.512
bonds (distance) P-C4' energy: -62.336
flat angles C4'-P-C4' energy: -68.075
flat angles P-C4'-P energy: -44.329
tors. eta vs tors. theta energy: -89.817
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: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -939.850409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.850409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.850409 (E_RNA)
where:
Base-Base interactions energy: -657.630
where: short stacking energy: -267.372
Base-Backbone interact. energy: -1.441
local terms energy: -280.779721
where:
bonds (distance) C4'-P energy: -47.560
bonds (distance) P-C4' energy: -57.410
flat angles C4'-P-C4' energy: -63.597
flat angles P-C4'-P energy: -41.504
tors. eta vs tors. theta energy: -70.709
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: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -884.581338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.581338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.581338 (E_RNA)
where:
Base-Base interactions energy: -595.108
where: short stacking energy: -263.873
Base-Backbone interact. energy: -1.523
local terms energy: -287.950512
where:
bonds (distance) C4'-P energy: -57.030
bonds (distance) P-C4' energy: -64.257
flat angles C4'-P-C4' energy: -57.172
flat angles P-C4'-P energy: -37.328
tors. eta vs tors. theta energy: -72.164
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: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -830.920631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.920631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.920631 (E_RNA)
where:
Base-Base interactions energy: -557.903
where: short stacking energy: -249.811
Base-Backbone interact. energy: -1.438
local terms energy: -271.580384
where:
bonds (distance) C4'-P energy: -53.810
bonds (distance) P-C4' energy: -67.368
flat angles C4'-P-C4' energy: -51.060
flat angles P-C4'-P energy: -41.241
tors. eta vs tors. theta energy: -58.102
Dist. restrs. and SS energy: 0.000 (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: 418
Temperature: 1.200000
Total energy: -806.803431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.803431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.803431 (E_RNA)
where:
Base-Base interactions energy: -561.731
where: short stacking energy: -226.790
Base-Backbone interact. energy: -1.095
local terms energy: -243.976935
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -60.994
flat angles C4'-P-C4' energy: -57.319
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -51.191
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: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -577.347370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.347370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.347370 (E_RNA)
where:
Base-Base interactions energy: -349.611
where: short stacking energy: -165.971
Base-Backbone interact. energy: -0.558
local terms energy: -227.178097
where:
bonds (distance) C4'-P energy: -55.997
bonds (distance) P-C4' energy: -58.697
flat angles C4'-P-C4' energy: -50.360
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -609.517146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.517146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.517146 (E_RNA)
where:
Base-Base interactions energy: -403.518
where: short stacking energy: -187.484
Base-Backbone interact. energy: -0.519
local terms energy: -205.479366
where:
bonds (distance) C4'-P energy: -44.887
bonds (distance) P-C4' energy: -48.098
flat angles C4'-P-C4' energy: -56.071
flat angles P-C4'-P energy: -23.517
tors. eta vs tors. theta energy: -32.907
Dist. restrs. and SS energy: 0.000 (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: 418
Temperature: 1.350000
Total energy: -431.165597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.165597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.165597 (E_RNA)
where:
Base-Base interactions energy: -248.749
where: short stacking energy: -138.494
Base-Backbone interact. energy: 3.230
local terms energy: -185.646800
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -40.069
flat angles C4'-P-C4' energy: -51.481
flat angles P-C4'-P energy: -29.974
tors. eta vs tors. theta energy: -23.214
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: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1081.966925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.966925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.966925 (E_RNA)
where:
Base-Base interactions energy: -754.736
where: short stacking energy: -313.088
Base-Backbone interact. energy: -2.663
local terms energy: -324.568286
where:
bonds (distance) C4'-P energy: -55.395
bonds (distance) P-C4' energy: -63.652
flat angles C4'-P-C4' energy: -69.803
flat angles P-C4'-P energy: -47.976
tors. eta vs tors. theta energy: -87.743
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: 2, replica: 10
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1045.796264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.796264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.796264 (E_RNA)
where:
Base-Base interactions energy: -727.415
where: short stacking energy: -310.637
Base-Backbone interact. energy: -1.366
local terms energy: -317.015926
where:
bonds (distance) C4'-P energy: -51.388
bonds (distance) P-C4' energy: -62.545
flat angles C4'-P-C4' energy: -65.693
flat angles P-C4'-P energy: -49.394
tors. eta vs tors. theta energy: -87.996
Dist. restrs. and SS energy: 0.000 (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: 419
Temperature: 1.000000
Total energy: -1009.788943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.788943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.788943 (E_RNA)
where:
Base-Base interactions energy: -699.398
where: short stacking energy: -308.405
Base-Backbone interact. energy: -0.307
local terms energy: -310.083614
where:
bonds (distance) C4'-P energy: -61.626
bonds (distance) P-C4' energy: -54.264
flat angles C4'-P-C4' energy: -65.955
flat angles P-C4'-P energy: -45.053
tors. eta vs tors. theta energy: -83.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -978.453186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.453186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.453186 (E_RNA)
where:
Base-Base interactions energy: -681.436
where: short stacking energy: -286.204
Base-Backbone interact. energy: -1.341
local terms energy: -295.676354
where:
bonds (distance) C4'-P energy: -62.188
bonds (distance) P-C4' energy: -46.382
flat angles C4'-P-C4' energy: -65.728
flat angles P-C4'-P energy: -43.028
tors. eta vs tors. theta energy: -78.351
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: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -860.091027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.091027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.091027 (E_RNA)
where:
Base-Base interactions energy: -582.316
where: short stacking energy: -248.726
Base-Backbone interact. energy: -1.694
local terms energy: -276.080708
where:
bonds (distance) C4'-P energy: -52.383
bonds (distance) P-C4' energy: -60.699
flat angles C4'-P-C4' energy: -55.060
flat angles P-C4'-P energy: -40.359
tors. eta vs tors. theta energy: -67.579
Dist. restrs. and SS energy: 0.000 (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: 419
Temperature: 1.150000
Total energy: -836.644020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.644020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.644020 (E_RNA)
where:
Base-Base interactions energy: -559.067
where: short stacking energy: -244.571
Base-Backbone interact. energy: 0.765
local terms energy: -278.341519
where:
bonds (distance) C4'-P energy: -47.686
bonds (distance) P-C4' energy: -63.909
flat angles C4'-P-C4' energy: -65.652
flat angles P-C4'-P energy: -37.151
tors. eta vs tors. theta energy: -63.943
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: 7, replica: 4
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -819.990221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.990221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.990221 (E_RNA)
where:
Base-Base interactions energy: -553.755
where: short stacking energy: -235.464
Base-Backbone interact. energy: -0.806
local terms energy: -265.428641
where:
bonds (distance) C4'-P energy: -48.232
bonds (distance) P-C4' energy: -54.128
flat angles C4'-P-C4' energy: -56.462
flat angles P-C4'-P energy: -43.430
tors. eta vs tors. theta energy: -63.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -624.108459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.108459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.108459 (E_RNA)
where:
Base-Base interactions energy: -412.564
where: short stacking energy: -198.145
Base-Backbone interact. energy: -1.107
local terms energy: -210.437030
where:
bonds (distance) C4'-P energy: -52.245
bonds (distance) P-C4' energy: -44.904
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -32.711
tors. eta vs tors. theta energy: -29.251
Dist. restrs. and SS energy: 0.000 (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: 419
Temperature: 1.300000
Total energy: -564.572058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.572058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.572058 (E_RNA)
where:
Base-Base interactions energy: -373.563
where: short stacking energy: -175.780
Base-Backbone interact. energy: 7.056
local terms energy: -198.065026
where:
bonds (distance) C4'-P energy: -44.638
bonds (distance) P-C4' energy: -44.648
flat angles C4'-P-C4' energy: -42.539
flat angles P-C4'-P energy: -37.507
tors. eta vs tors. theta energy: -28.733
Dist. restrs. and SS energy: 0.000 (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: 419
Temperature: 1.350000
Total energy: -475.920531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.920531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.920531 (E_RNA)
where:
Base-Base interactions energy: -274.203
where: short stacking energy: -138.349
Base-Backbone interact. energy: 0.193
local terms energy: -201.910136
where:
bonds (distance) C4'-P energy: -39.142
bonds (distance) P-C4' energy: -59.665
flat angles C4'-P-C4' energy: -49.502
flat angles P-C4'-P energy: -35.380
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1084.087956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.087956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.087956 (E_RNA)
where:
Base-Base interactions energy: -742.980
where: short stacking energy: -336.053
Base-Backbone interact. energy: -0.391
local terms energy: -340.716251
where:
bonds (distance) C4'-P energy: -68.137
bonds (distance) P-C4' energy: -54.748
flat angles C4'-P-C4' energy: -71.295
flat angles P-C4'-P energy: -49.321
tors. eta vs tors. theta energy: -97.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1054.247957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.247957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.247957 (E_RNA)
where:
Base-Base interactions energy: -731.585
where: short stacking energy: -298.071
Base-Backbone interact. energy: -1.194
local terms energy: -321.468839
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -70.911
flat angles P-C4'-P energy: -48.962
tors. eta vs tors. theta energy: -85.280
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: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1017.927283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.927283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.927283 (E_RNA)
where:
Base-Base interactions energy: -714.400
where: short stacking energy: -309.276
Base-Backbone interact. energy: 0.365
local terms energy: -303.892349
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -57.407
flat angles C4'-P-C4' energy: -62.518
flat angles P-C4'-P energy: -48.756
tors. eta vs tors. theta energy: -82.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -971.757869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.757869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.757869 (E_RNA)
where:
Base-Base interactions energy: -671.341
where: short stacking energy: -286.885
Base-Backbone interact. energy: 0.269
local terms energy: -300.686320
where:
bonds (distance) C4'-P energy: -57.499
bonds (distance) P-C4' energy: -54.095
flat angles C4'-P-C4' energy: -63.084
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -84.913
Dist. restrs. and SS energy: 0.000 (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: 420
Temperature: 1.100000
Total energy: -860.620982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.620982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.620982 (E_RNA)
where:
Base-Base interactions energy: -578.111
where: short stacking energy: -233.146
Base-Backbone interact. energy: -1.524
local terms energy: -280.985229
where:
bonds (distance) C4'-P energy: -51.787
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -62.591
flat angles P-C4'-P energy: -47.245
tors. eta vs tors. theta energy: -66.496
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: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -835.406033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.406033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.406033 (E_RNA)
where:
Base-Base interactions energy: -569.038
where: short stacking energy: -247.845
Base-Backbone interact. energy: 1.907
local terms energy: -268.274920
where:
bonds (distance) C4'-P energy: -47.743
bonds (distance) P-C4' energy: -62.714
flat angles C4'-P-C4' energy: -60.181
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -67.699
Dist. restrs. and SS energy: 0.000 (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: 420
Temperature: 1.200000
Total energy: -817.266911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.266911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.266911 (E_RNA)
where:
Base-Base interactions energy: -560.350
where: short stacking energy: -233.137
Base-Backbone interact. energy: -1.378
local terms energy: -255.538656
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -62.967
flat angles C4'-P-C4' energy: -52.570
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -52.605
Dist. restrs. and SS energy: 0.000 (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: 420
Temperature: 1.250000
Total energy: -632.153617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.153617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.153617 (E_RNA)
where:
Base-Base interactions energy: -410.701
where: short stacking energy: -191.573
Base-Backbone interact. energy: -0.519
local terms energy: -220.933950
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -58.336
flat angles C4'-P-C4' energy: -46.932
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -33.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -528.284969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.284969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.284969 (E_RNA)
where:
Base-Base interactions energy: -309.091
where: short stacking energy: -139.137
Base-Backbone interact. energy: -0.269
local terms energy: -218.924834
where:
bonds (distance) C4'-P energy: -55.545
bonds (distance) P-C4' energy: -61.200
flat angles C4'-P-C4' energy: -46.250
flat angles P-C4'-P energy: -26.791
tors. eta vs tors. theta energy: -29.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -460.718720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.718720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.718720 (E_RNA)
where:
Base-Base interactions energy: -274.149
where: short stacking energy: -131.599
Base-Backbone interact. energy: -0.669
local terms energy: -185.900837
where:
bonds (distance) C4'-P energy: -44.538
bonds (distance) P-C4' energy: -45.670
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1060.130272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.130272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.130272 (E_RNA)
where:
Base-Base interactions energy: -731.935
where: short stacking energy: -325.157
Base-Backbone interact. energy: -0.970
local terms energy: -327.225064
where:
bonds (distance) C4'-P energy: -55.534
bonds (distance) P-C4' energy: -65.395
flat angles C4'-P-C4' energy: -60.704
flat angles P-C4'-P energy: -50.121
tors. eta vs tors. theta energy: -95.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1057.420004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.420004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.420004 (E_RNA)
where:
Base-Base interactions energy: -735.636
where: short stacking energy: -311.187
Base-Backbone interact. energy: -1.743
local terms energy: -320.040481
where:
bonds (distance) C4'-P energy: -53.876
bonds (distance) P-C4' energy: -61.836
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -49.352
tors. eta vs tors. theta energy: -85.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1030.256586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.256586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.256586 (E_RNA)
where:
Base-Base interactions energy: -717.260
where: short stacking energy: -310.783
Base-Backbone interact. energy: -6.280
local terms energy: -306.717410
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -50.496
flat angles C4'-P-C4' energy: -67.604
flat angles P-C4'-P energy: -47.782
tors. eta vs tors. theta energy: -91.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -960.295750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.295750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.295750 (E_RNA)
where:
Base-Base interactions energy: -651.596
where: short stacking energy: -286.446
Base-Backbone interact. energy: -0.307
local terms energy: -308.392252
where:
bonds (distance) C4'-P energy: -55.658
bonds (distance) P-C4' energy: -66.972
flat angles C4'-P-C4' energy: -64.104
flat angles P-C4'-P energy: -38.583
tors. eta vs tors. theta energy: -83.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -856.684038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.684038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.684038 (E_RNA)
where:
Base-Base interactions energy: -571.444
where: short stacking energy: -240.547
Base-Backbone interact. energy: -4.103
local terms energy: -281.137217
where:
bonds (distance) C4'-P energy: -50.023
bonds (distance) P-C4' energy: -54.359
flat angles C4'-P-C4' energy: -63.940
flat angles P-C4'-P energy: -50.843
tors. eta vs tors. theta energy: -61.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -857.715843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.715843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.715843 (E_RNA)
where:
Base-Base interactions energy: -594.134
where: short stacking energy: -249.312
Base-Backbone interact. energy: -1.122
local terms energy: -262.459708
where:
bonds (distance) C4'-P energy: -56.052
bonds (distance) P-C4' energy: -54.993
flat angles C4'-P-C4' energy: -52.082
flat angles P-C4'-P energy: -39.793
tors. eta vs tors. theta energy: -59.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -833.233964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.233964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.233964 (E_RNA)
where:
Base-Base interactions energy: -568.244
where: short stacking energy: -248.897
Base-Backbone interact. energy: -1.590
local terms energy: -263.399963
where:
bonds (distance) C4'-P energy: -51.172
bonds (distance) P-C4' energy: -51.389
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -66.744
Dist. restrs. and SS energy: 0.000 (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: 421
Temperature: 1.250000
Total energy: -711.615686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.615686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.615686 (E_RNA)
where:
Base-Base interactions energy: -469.289
where: short stacking energy: -213.842
Base-Backbone interact. energy: 1.005
local terms energy: -243.331214
where:
bonds (distance) C4'-P energy: -47.438
bonds (distance) P-C4' energy: -53.749
flat angles C4'-P-C4' energy: -47.556
flat angles P-C4'-P energy: -39.695
tors. eta vs tors. theta energy: -54.893
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: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -567.562035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.562035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.562035 (E_RNA)
where:
Base-Base interactions energy: -377.573
where: short stacking energy: -170.486
Base-Backbone interact. energy: 1.091
local terms energy: -191.080543
where:
bonds (distance) C4'-P energy: -27.995
bonds (distance) P-C4' energy: -56.857
flat angles C4'-P-C4' energy: -44.038
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -23.054
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: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -461.070364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.070364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.070364 (E_RNA)
where:
Base-Base interactions energy: -269.729
where: short stacking energy: -138.497
Base-Backbone interact. energy: 1.318
local terms energy: -192.659144
where:
bonds (distance) C4'-P energy: -44.428
bonds (distance) P-C4' energy: -42.735
flat angles C4'-P-C4' energy: -51.561
flat angles P-C4'-P energy: -34.098
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (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: 422
Temperature: 0.900000
Total energy: -1081.672794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.672794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.672794 (E_RNA)
where:
Base-Base interactions energy: -730.575
where: short stacking energy: -328.303
Base-Backbone interact. energy: -2.383
local terms energy: -348.714172
where:
bonds (distance) C4'-P energy: -62.688
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -77.128
flat angles P-C4'-P energy: -40.888
tors. eta vs tors. theta energy: -101.651
Dist. restrs. and SS energy: 0.000 (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: 422
Temperature: 0.950000
Total energy: -1043.365712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.365712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.365712 (E_RNA)
where:
Base-Base interactions energy: -727.930
where: short stacking energy: -298.277
Base-Backbone interact. energy: -3.257
local terms energy: -312.178930
where:
bonds (distance) C4'-P energy: -55.105
bonds (distance) P-C4' energy: -65.873
flat angles C4'-P-C4' energy: -61.665
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -88.910
Dist. restrs. and SS energy: 0.000 (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: 422
Temperature: 1.000000
Total energy: -1030.063604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.063604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.063604 (E_RNA)
where:
Base-Base interactions energy: -707.976
where: short stacking energy: -293.484
Base-Backbone interact. energy: -3.837
local terms energy: -318.249858
where:
bonds (distance) C4'-P energy: -60.388
bonds (distance) P-C4' energy: -62.332
flat angles C4'-P-C4' energy: -60.667
flat angles P-C4'-P energy: -40.399
tors. eta vs tors. theta energy: -94.463
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: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -986.051992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.051992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.051992 (E_RNA)
where:
Base-Base interactions energy: -678.725
where: short stacking energy: -297.672
Base-Backbone interact. energy: -0.404
local terms energy: -306.922960
where:
bonds (distance) C4'-P energy: -55.030
bonds (distance) P-C4' energy: -61.344
flat angles C4'-P-C4' energy: -61.299
flat angles P-C4'-P energy: -46.038
tors. eta vs tors. theta energy: -83.213
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: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -885.522120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.522120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.522120 (E_RNA)
where:
Base-Base interactions energy: -618.370
where: short stacking energy: -256.270
Base-Backbone interact. energy: -1.879
local terms energy: -265.272573
where:
bonds (distance) C4'-P energy: -46.841
bonds (distance) P-C4' energy: -52.455
flat angles C4'-P-C4' energy: -60.874
flat angles P-C4'-P energy: -41.121
tors. eta vs tors. theta energy: -63.982
Dist. restrs. and SS energy: 0.000 (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: 422
Temperature: 1.150000
Total energy: -831.447769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.447769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.447769 (E_RNA)
where:
Base-Base interactions energy: -559.930
where: short stacking energy: -241.708
Base-Backbone interact. energy: -0.716
local terms energy: -270.801925
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -64.941
flat angles C4'-P-C4' energy: -57.372
flat angles P-C4'-P energy: -39.888
tors. eta vs tors. theta energy: -66.528
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: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -826.779660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.779660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.779660 (E_RNA)
where:
Base-Base interactions energy: -564.886
where: short stacking energy: -246.237
Base-Backbone interact. energy: -0.807
local terms energy: -261.087581
where:
bonds (distance) C4'-P energy: -45.290
bonds (distance) P-C4' energy: -52.304
flat angles C4'-P-C4' energy: -61.186
flat angles P-C4'-P energy: -40.023
tors. eta vs tors. theta energy: -62.285
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: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -686.952094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.952094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.952094 (E_RNA)
where:
Base-Base interactions energy: -470.955
where: short stacking energy: -204.835
Base-Backbone interact. energy: -1.256
local terms energy: -214.741714
where:
bonds (distance) C4'-P energy: -42.592
bonds (distance) P-C4' energy: -45.804
flat angles C4'-P-C4' energy: -40.745
flat angles P-C4'-P energy: -35.382
tors. eta vs tors. theta energy: -50.219
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: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -555.610600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.610600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.610600 (E_RNA)
where:
Base-Base interactions energy: -337.914
where: short stacking energy: -145.771
Base-Backbone interact. energy: -0.365
local terms energy: -217.332053
where:
bonds (distance) C4'-P energy: -56.876
bonds (distance) P-C4' energy: -49.150
flat angles C4'-P-C4' energy: -57.395
flat angles P-C4'-P energy: -26.652
tors. eta vs tors. theta energy: -27.259
Dist. restrs. and SS energy: 0.000 (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: 422
Temperature: 1.350000
Total energy: -438.197018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.197018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.197018 (E_RNA)
where:
Base-Base interactions energy: -253.056
where: short stacking energy: -116.237
Base-Backbone interact. energy: 0.278
local terms energy: -185.419135
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -50.225
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (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: 423
Temperature: 0.900000
Total energy: -1088.345858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.345858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.345858 (E_RNA)
where:
Base-Base interactions energy: -755.902
where: short stacking energy: -327.021
Base-Backbone interact. energy: -1.702
local terms energy: -330.742743
where:
bonds (distance) C4'-P energy: -58.657
bonds (distance) P-C4' energy: -60.739
flat angles C4'-P-C4' energy: -69.256
flat angles P-C4'-P energy: -43.155
tors. eta vs tors. theta energy: -98.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1040.211038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.211038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.211038 (E_RNA)
where:
Base-Base interactions energy: -733.290
where: short stacking energy: -308.369
Base-Backbone interact. energy: -1.202
local terms energy: -305.718757
where:
bonds (distance) C4'-P energy: -52.950
bonds (distance) P-C4' energy: -53.392
flat angles C4'-P-C4' energy: -67.976
flat angles P-C4'-P energy: -44.923
tors. eta vs tors. theta energy: -86.477
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: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1058.401346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.401346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.401346 (E_RNA)
where:
Base-Base interactions energy: -746.693
where: short stacking energy: -331.763
Base-Backbone interact. energy: -0.542
local terms energy: -311.166272
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -57.002
flat angles C4'-P-C4' energy: -67.409
flat angles P-C4'-P energy: -38.153
tors. eta vs tors. theta energy: -91.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -975.858308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.858308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.858308 (E_RNA)
where:
Base-Base interactions energy: -682.759
where: short stacking energy: -305.126
Base-Backbone interact. energy: 0.525
local terms energy: -293.623879
where:
bonds (distance) C4'-P energy: -47.483
bonds (distance) P-C4' energy: -40.836
flat angles C4'-P-C4' energy: -69.914
flat angles P-C4'-P energy: -46.880
tors. eta vs tors. theta energy: -88.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -888.224385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.224385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.224385 (E_RNA)
where:
Base-Base interactions energy: -615.064
where: short stacking energy: -250.543
Base-Backbone interact. energy: -0.008
local terms energy: -273.152049
where:
bonds (distance) C4'-P energy: -53.165
bonds (distance) P-C4' energy: -52.463
flat angles C4'-P-C4' energy: -59.803
flat angles P-C4'-P energy: -45.503
tors. eta vs tors. theta energy: -62.217
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: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -854.521297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.521297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.521297 (E_RNA)
where:
Base-Base interactions energy: -575.350
where: short stacking energy: -250.412
Base-Backbone interact. energy: -0.475
local terms energy: -278.696535
where:
bonds (distance) C4'-P energy: -50.085
bonds (distance) P-C4' energy: -56.108
flat angles C4'-P-C4' energy: -56.617
flat angles P-C4'-P energy: -41.716
tors. eta vs tors. theta energy: -74.170
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: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -814.123808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.123808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.123808 (E_RNA)
where:
Base-Base interactions energy: -559.642
where: short stacking energy: -231.910
Base-Backbone interact. energy: -0.931
local terms energy: -253.550480
where:
bonds (distance) C4'-P energy: -47.499
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -52.750
flat angles P-C4'-P energy: -42.469
tors. eta vs tors. theta energy: -54.968
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: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -701.383960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.383960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.383960 (E_RNA)
where:
Base-Base interactions energy: -471.325
where: short stacking energy: -198.840
Base-Backbone interact. energy: -2.402
local terms energy: -227.657082
where:
bonds (distance) C4'-P energy: -60.257
bonds (distance) P-C4' energy: -41.273
flat angles C4'-P-C4' energy: -53.098
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -44.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -561.308366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.308366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.308366 (E_RNA)
where:
Base-Base interactions energy: -365.007
where: short stacking energy: -158.135
Base-Backbone interact. energy: -0.744
local terms energy: -195.557069
where:
bonds (distance) C4'-P energy: -52.141
bonds (distance) P-C4' energy: -47.191
flat angles C4'-P-C4' energy: -41.647
flat angles P-C4'-P energy: -29.636
tors. eta vs tors. theta energy: -24.942
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: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -434.670415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.670415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.670415 (E_RNA)
where:
Base-Base interactions energy: -245.329
where: short stacking energy: -143.064
Base-Backbone interact. energy: -0.713
local terms energy: -188.628293
where:
bonds (distance) C4'-P energy: -44.653
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1091.597151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.597151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.597151 (E_RNA)
where:
Base-Base interactions energy: -746.837
where: short stacking energy: -329.495
Base-Backbone interact. energy: -0.669
local terms energy: -344.091072
where:
bonds (distance) C4'-P energy: -61.168
bonds (distance) P-C4' energy: -58.984
flat angles C4'-P-C4' energy: -73.746
flat angles P-C4'-P energy: -49.304
tors. eta vs tors. theta energy: -100.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1053.791260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.791260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.791260 (E_RNA)
where:
Base-Base interactions energy: -726.479
where: short stacking energy: -311.114
Base-Backbone interact. energy: -1.835
local terms energy: -325.477628
where:
bonds (distance) C4'-P energy: -59.053
bonds (distance) P-C4' energy: -61.863
flat angles C4'-P-C4' energy: -68.255
flat angles P-C4'-P energy: -49.591
tors. eta vs tors. theta energy: -86.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1037.928556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.928556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.928556 (E_RNA)
where:
Base-Base interactions energy: -725.485
where: short stacking energy: -301.712
Base-Backbone interact. energy: -0.214
local terms energy: -312.229802
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -62.961
flat angles C4'-P-C4' energy: -64.689
flat angles P-C4'-P energy: -41.309
tors. eta vs tors. theta energy: -92.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -979.280437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.280437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.280437 (E_RNA)
where:
Base-Base interactions energy: -683.079
where: short stacking energy: -295.852
Base-Backbone interact. energy: -1.384
local terms energy: -294.816762
where:
bonds (distance) C4'-P energy: -53.843
bonds (distance) P-C4' energy: -52.232
flat angles C4'-P-C4' energy: -68.082
flat angles P-C4'-P energy: -33.163
tors. eta vs tors. theta energy: -87.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -889.740213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.740213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.740213 (E_RNA)
where:
Base-Base interactions energy: -625.213
where: short stacking energy: -267.382
Base-Backbone interact. energy: -0.800
local terms energy: -263.727096
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -57.208
flat angles P-C4'-P energy: -37.305
tors. eta vs tors. theta energy: -68.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -834.641190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.641190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.641190 (E_RNA)
where:
Base-Base interactions energy: -568.545
where: short stacking energy: -256.620
Base-Backbone interact. energy: -0.303
local terms energy: -265.793425
where:
bonds (distance) C4'-P energy: -50.766
bonds (distance) P-C4' energy: -48.471
flat angles C4'-P-C4' energy: -58.093
flat angles P-C4'-P energy: -42.199
tors. eta vs tors. theta energy: -66.264
Dist. restrs. and SS energy: 0.000 (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: 424
Temperature: 1.200000
Total energy: -803.455996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.455996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.455996 (E_RNA)
where:
Base-Base interactions energy: -549.166
where: short stacking energy: -238.031
Base-Backbone interact. energy: 1.521
local terms energy: -255.811419
where:
bonds (distance) C4'-P energy: -54.595
bonds (distance) P-C4' energy: -45.237
flat angles C4'-P-C4' energy: -59.724
flat angles P-C4'-P energy: -38.683
tors. eta vs tors. theta energy: -57.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -706.347503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.347503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.347503 (E_RNA)
where:
Base-Base interactions energy: -482.413
where: short stacking energy: -213.830
Base-Backbone interact. energy: 0.705
local terms energy: -224.638957
where:
bonds (distance) C4'-P energy: -44.081
bonds (distance) P-C4' energy: -51.485
flat angles C4'-P-C4' energy: -55.748
flat angles P-C4'-P energy: -30.783
tors. eta vs tors. theta energy: -42.542
Dist. restrs. and SS energy: 0.000 (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: 424
Temperature: 1.300000
Total energy: -593.102316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.102316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.102316 (E_RNA)
where:
Base-Base interactions energy: -393.433
where: short stacking energy: -201.141
Base-Backbone interact. energy: 0.407
local terms energy: -200.076698
where:
bonds (distance) C4'-P energy: -50.548
bonds (distance) P-C4' energy: -46.551
flat angles C4'-P-C4' energy: -42.973
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -38.784
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: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -510.160743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.160743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.160743 (E_RNA)
where:
Base-Base interactions energy: -298.332
where: short stacking energy: -148.944
Base-Backbone interact. energy: -0.716
local terms energy: -211.112788
where:
bonds (distance) C4'-P energy: -52.035
bonds (distance) P-C4' energy: -54.524
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -29.036
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: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1090.286943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.286943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.286943 (E_RNA)
where:
Base-Base interactions energy: -743.858
where: short stacking energy: -316.086
Base-Backbone interact. energy: 0.002
local terms energy: -346.430902
where:
bonds (distance) C4'-P energy: -65.808
bonds (distance) P-C4' energy: -62.269
flat angles C4'-P-C4' energy: -69.629
flat angles P-C4'-P energy: -50.600
tors. eta vs tors. theta energy: -98.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1047.736056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.736056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.736056 (E_RNA)
where:
Base-Base interactions energy: -720.951
where: short stacking energy: -302.680
Base-Backbone interact. energy: -1.477
local terms energy: -325.308794
where:
bonds (distance) C4'-P energy: -62.775
bonds (distance) P-C4' energy: -62.408
flat angles C4'-P-C4' energy: -69.970
flat angles P-C4'-P energy: -46.456
tors. eta vs tors. theta energy: -83.701
Dist. restrs. and SS energy: 0.000 (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: 425
Temperature: 1.000000
Total energy: -1050.659829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.659829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.659829 (E_RNA)
where:
Base-Base interactions energy: -739.155
where: short stacking energy: -315.712
Base-Backbone interact. energy: 0.543
local terms energy: -312.048186
where:
bonds (distance) C4'-P energy: -50.428
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -68.500
flat angles P-C4'-P energy: -48.452
tors. eta vs tors. theta energy: -92.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -977.507218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.507218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.507218 (E_RNA)
where:
Base-Base interactions energy: -675.114
where: short stacking energy: -286.044
Base-Backbone interact. energy: 0.677
local terms energy: -303.069707
where:
bonds (distance) C4'-P energy: -49.876
bonds (distance) P-C4' energy: -57.686
flat angles C4'-P-C4' energy: -66.784
flat angles P-C4'-P energy: -44.957
tors. eta vs tors. theta energy: -83.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -907.859931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.859931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.859931 (E_RNA)
where:
Base-Base interactions energy: -632.776
where: short stacking energy: -278.319
Base-Backbone interact. energy: -0.242
local terms energy: -274.841796
where:
bonds (distance) C4'-P energy: -44.876
bonds (distance) P-C4' energy: -59.005
flat angles C4'-P-C4' energy: -62.360
flat angles P-C4'-P energy: -41.184
tors. eta vs tors. theta energy: -67.417
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: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -835.271984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.271984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.271984 (E_RNA)
where:
Base-Base interactions energy: -569.891
where: short stacking energy: -247.617
Base-Backbone interact. energy: -0.628
local terms energy: -264.752117
where:
bonds (distance) C4'-P energy: -53.967
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -53.133
flat angles P-C4'-P energy: -41.098
tors. eta vs tors. theta energy: -62.863
Dist. restrs. and SS energy: 0.000 (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: 425
Temperature: 1.200000
Total energy: -810.788408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.788408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.788408 (E_RNA)
where:
Base-Base interactions energy: -546.447
where: short stacking energy: -238.510
Base-Backbone interact. energy: 0.274
local terms energy: -264.615809
where:
bonds (distance) C4'-P energy: -57.094
bonds (distance) P-C4' energy: -52.292
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -36.208
tors. eta vs tors. theta energy: -65.589
Dist. restrs. and SS energy: 0.000 (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: 425
Temperature: 1.250000
Total energy: -750.007973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.007973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.007973 (E_RNA)
where:
Base-Base interactions energy: -493.852
where: short stacking energy: -224.282
Base-Backbone interact. energy: -0.756
local terms energy: -255.400077
where:
bonds (distance) C4'-P energy: -62.301
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -60.156
flat angles P-C4'-P energy: -33.204
tors. eta vs tors. theta energy: -57.812
Dist. restrs. and SS energy: 0.000 (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: 425
Temperature: 1.300000
Total energy: -572.430279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.430279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.430279 (E_RNA)
where:
Base-Base interactions energy: -357.534
where: short stacking energy: -178.815
Base-Backbone interact. energy: -0.855
local terms energy: -214.040972
where:
bonds (distance) C4'-P energy: -46.614
bonds (distance) P-C4' energy: -62.993
flat angles C4'-P-C4' energy: -52.477
flat angles P-C4'-P energy: -31.499
tors. eta vs tors. theta energy: -20.458
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: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -453.803066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.803066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.803066 (E_RNA)
where:
Base-Base interactions energy: -263.582
where: short stacking energy: -143.666
Base-Backbone interact. energy: -1.665
local terms energy: -188.555935
where:
bonds (distance) C4'-P energy: -41.129
bonds (distance) P-C4' energy: -53.972
flat angles C4'-P-C4' energy: -49.210
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -24.149
Dist. restrs. and SS energy: 0.000 (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: 426
Temperature: 0.900000
Total energy: -1091.016542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.016542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.016542 (E_RNA)
where:
Base-Base interactions energy: -741.214
where: short stacking energy: -332.994
Base-Backbone interact. energy: -0.427
local terms energy: -349.375511
where:
bonds (distance) C4'-P energy: -62.414
bonds (distance) P-C4' energy: -64.000
flat angles C4'-P-C4' energy: -74.336
flat angles P-C4'-P energy: -48.776
tors. eta vs tors. theta energy: -99.849
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: 2, replica: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1047.538588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.538588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.538588 (E_RNA)
where:
Base-Base interactions energy: -733.938
where: short stacking energy: -313.172
Base-Backbone interact. energy: -1.922
local terms energy: -311.677992
where:
bonds (distance) C4'-P energy: -49.572
bonds (distance) P-C4' energy: -62.939
flat angles C4'-P-C4' energy: -57.283
flat angles P-C4'-P energy: -45.878
tors. eta vs tors. theta energy: -96.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1004.798219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.798219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.798219 (E_RNA)
where:
Base-Base interactions energy: -691.563
where: short stacking energy: -310.894
Base-Backbone interact. energy: -0.182
local terms energy: -313.053351
where:
bonds (distance) C4'-P energy: -53.975
bonds (distance) P-C4' energy: -58.951
flat angles C4'-P-C4' energy: -64.601
flat angles P-C4'-P energy: -45.968
tors. eta vs tors. theta energy: -89.557
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: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -985.925300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.925300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.925300 (E_RNA)
where:
Base-Base interactions energy: -677.975
where: short stacking energy: -290.993
Base-Backbone interact. energy: -1.317
local terms energy: -306.633228
where:
bonds (distance) C4'-P energy: -60.405
bonds (distance) P-C4' energy: -54.422
flat angles C4'-P-C4' energy: -62.736
flat angles P-C4'-P energy: -47.530
tors. eta vs tors. theta energy: -81.539
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: 5, replica: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -888.180583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.180583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.180583 (E_RNA)
where:
Base-Base interactions energy: -620.911
where: short stacking energy: -254.150
Base-Backbone interact. energy: 1.057
local terms energy: -268.326590
where:
bonds (distance) C4'-P energy: -57.684
bonds (distance) P-C4' energy: -46.803
flat angles C4'-P-C4' energy: -55.050
flat angles P-C4'-P energy: -40.405
tors. eta vs tors. theta energy: -68.384
Dist. restrs. and SS energy: 0.000 (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: 426
Temperature: 1.150000
Total energy: -829.021138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.021138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.021138 (E_RNA)
where:
Base-Base interactions energy: -556.401
where: short stacking energy: -239.934
Base-Backbone interact. energy: -0.586
local terms energy: -272.034149
where:
bonds (distance) C4'-P energy: -54.765
bonds (distance) P-C4' energy: -50.368
flat angles C4'-P-C4' energy: -67.112
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -61.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -808.149491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.149491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.149491 (E_RNA)
where:
Base-Base interactions energy: -546.528
where: short stacking energy: -247.403
Base-Backbone interact. energy: -0.406
local terms energy: -261.215700
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -55.342
flat angles C4'-P-C4' energy: -56.185
flat angles P-C4'-P energy: -31.850
tors. eta vs tors. theta energy: -65.810
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: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -695.288614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.288614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.288614 (E_RNA)
where:
Base-Base interactions energy: -458.863
where: short stacking energy: -176.798
Base-Backbone interact. energy: -2.964
local terms energy: -233.462003
where:
bonds (distance) C4'-P energy: -50.489
bonds (distance) P-C4' energy: -53.756
flat angles C4'-P-C4' energy: -50.597
flat angles P-C4'-P energy: -38.835
tors. eta vs tors. theta energy: -39.784
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: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -545.864665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.864665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.864665 (E_RNA)
where:
Base-Base interactions energy: -341.757
where: short stacking energy: -158.129
Base-Backbone interact. energy: -2.026
local terms energy: -202.081268
where:
bonds (distance) C4'-P energy: -56.674
bonds (distance) P-C4' energy: -45.939
flat angles C4'-P-C4' energy: -43.729
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -27.714
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: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -457.832693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.832693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.832693 (E_RNA)
where:
Base-Base interactions energy: -267.884
where: short stacking energy: -126.152
Base-Backbone interact. energy: 3.352
local terms energy: -193.300060
where:
bonds (distance) C4'-P energy: -49.022
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -49.829
flat angles P-C4'-P energy: -35.043
tors. eta vs tors. theta energy: -14.936
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: 1, replica: 10
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1091.713907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.713907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.713907 (E_RNA)
where:
Base-Base interactions energy: -746.960
where: short stacking energy: -336.490
Base-Backbone interact. energy: -2.385
local terms energy: -342.369551
where:
bonds (distance) C4'-P energy: -59.670
bonds (distance) P-C4' energy: -65.569
flat angles C4'-P-C4' energy: -69.828
flat angles P-C4'-P energy: -51.460
tors. eta vs tors. theta energy: -95.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1086.436293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.436293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.436293 (E_RNA)
where:
Base-Base interactions energy: -767.498
where: short stacking energy: -322.955
Base-Backbone interact. energy: -2.092
local terms energy: -316.845939
where:
bonds (distance) C4'-P energy: -56.202
bonds (distance) P-C4' energy: -59.230
flat angles C4'-P-C4' energy: -70.381
flat angles P-C4'-P energy: -41.270
tors. eta vs tors. theta energy: -89.763
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: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1012.555507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.555507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.555507 (E_RNA)
where:
Base-Base interactions energy: -699.075
where: short stacking energy: -310.527
Base-Backbone interact. energy: -0.601
local terms energy: -312.879360
where:
bonds (distance) C4'-P energy: -52.717
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -72.424
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -92.671
Dist. restrs. and SS energy: 0.000 (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: 427
Temperature: 1.050000
Total energy: -994.420449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.420449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.420449 (E_RNA)
where:
Base-Base interactions energy: -701.371
where: short stacking energy: -298.537
Base-Backbone interact. energy: -1.111
local terms energy: -291.938576
where:
bonds (distance) C4'-P energy: -45.279
bonds (distance) P-C4' energy: -61.603
flat angles C4'-P-C4' energy: -61.102
flat angles P-C4'-P energy: -37.335
tors. eta vs tors. theta energy: -86.618
Dist. restrs. and SS energy: 0.000 (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: 427
Temperature: 1.100000
Total energy: -893.913874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.913874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.913874 (E_RNA)
where:
Base-Base interactions energy: -612.765
where: short stacking energy: -249.686
Base-Backbone interact. energy: -0.170
local terms energy: -280.978864
where:
bonds (distance) C4'-P energy: -62.326
bonds (distance) P-C4' energy: -51.140
flat angles C4'-P-C4' energy: -68.668
flat angles P-C4'-P energy: -37.122
tors. eta vs tors. theta energy: -61.723
Dist. restrs. and SS energy: 0.000 (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: 427
Temperature: 1.150000
Total energy: -837.453496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.453496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.453496 (E_RNA)
where:
Base-Base interactions energy: -582.278
where: short stacking energy: -241.052
Base-Backbone interact. energy: -1.033
local terms energy: -254.142482
where:
bonds (distance) C4'-P energy: -37.553
bonds (distance) P-C4' energy: -62.606
flat angles C4'-P-C4' energy: -51.073
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: -59.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -822.212875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.212875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.212875 (E_RNA)
where:
Base-Base interactions energy: -557.748
where: short stacking energy: -233.857
Base-Backbone interact. energy: -2.260
local terms energy: -262.205327
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -54.591
flat angles C4'-P-C4' energy: -59.457
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -66.389
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: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -711.465119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.465119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.465119 (E_RNA)
where:
Base-Base interactions energy: -455.410
where: short stacking energy: -204.783
Base-Backbone interact. energy: 0.406
local terms energy: -256.461477
where:
bonds (distance) C4'-P energy: -45.177
bonds (distance) P-C4' energy: -53.378
flat angles C4'-P-C4' energy: -63.958
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -54.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -539.860513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.860513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.860513 (E_RNA)
where:
Base-Base interactions energy: -321.578
where: short stacking energy: -155.169
Base-Backbone interact. energy: -1.314
local terms energy: -216.968708
where:
bonds (distance) C4'-P energy: -50.251
bonds (distance) P-C4' energy: -58.480
flat angles C4'-P-C4' energy: -48.831
flat angles P-C4'-P energy: -40.168
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -458.764880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.764880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.764880 (E_RNA)
where:
Base-Base interactions energy: -273.750
where: short stacking energy: -124.170
Base-Backbone interact. energy: -1.803
local terms energy: -183.211888
where:
bonds (distance) C4'-P energy: -51.950
bonds (distance) P-C4' energy: -57.284
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -19.763
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1076.151944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.151944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.151944 (E_RNA)
where:
Base-Base interactions energy: -750.594
where: short stacking energy: -314.749
Base-Backbone interact. energy: -1.539
local terms energy: -324.018509
where:
bonds (distance) C4'-P energy: -58.929
bonds (distance) P-C4' energy: -61.109
flat angles C4'-P-C4' energy: -64.439
flat angles P-C4'-P energy: -49.054
tors. eta vs tors. theta energy: -90.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1064.042590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.042590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.042590 (E_RNA)
where:
Base-Base interactions energy: -733.149
where: short stacking energy: -321.444
Base-Backbone interact. energy: -0.486
local terms energy: -330.407988
where:
bonds (distance) C4'-P energy: -61.056
bonds (distance) P-C4' energy: -62.985
flat angles C4'-P-C4' energy: -65.133
flat angles P-C4'-P energy: -45.127
tors. eta vs tors. theta energy: -96.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -996.331994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.331994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.331994 (E_RNA)
where:
Base-Base interactions energy: -703.064
where: short stacking energy: -294.923
Base-Backbone interact. energy: -1.277
local terms energy: -291.991168
where:
bonds (distance) C4'-P energy: -46.056
bonds (distance) P-C4' energy: -50.982
flat angles C4'-P-C4' energy: -64.902
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -88.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -997.605854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.605854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.605854 (E_RNA)
where:
Base-Base interactions energy: -703.757
where: short stacking energy: -290.261
Base-Backbone interact. energy: -0.949
local terms energy: -292.900297
where:
bonds (distance) C4'-P energy: -53.276
bonds (distance) P-C4' energy: -54.009
flat angles C4'-P-C4' energy: -63.013
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -89.248
Dist. restrs. and SS energy: 0.000 (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: 428
Temperature: 1.100000
Total energy: -896.883129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.883129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.883129 (E_RNA)
where:
Base-Base interactions energy: -635.584
where: short stacking energy: -257.040
Base-Backbone interact. energy: -1.733
local terms energy: -259.565676
where:
bonds (distance) C4'-P energy: -55.867
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -30.731
tors. eta vs tors. theta energy: -65.120
Dist. restrs. and SS energy: 0.000 (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: 428
Temperature: 1.150000
Total energy: -837.087082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.087082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.087082 (E_RNA)
where:
Base-Base interactions energy: -569.709
where: short stacking energy: -246.512
Base-Backbone interact. energy: -1.537
local terms energy: -265.841416
where:
bonds (distance) C4'-P energy: -54.266
bonds (distance) P-C4' energy: -51.514
flat angles C4'-P-C4' energy: -59.674
flat angles P-C4'-P energy: -34.115
tors. eta vs tors. theta energy: -66.273
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: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -796.717852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.717852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.717852 (E_RNA)
where:
Base-Base interactions energy: -547.070
where: short stacking energy: -229.097
Base-Backbone interact. energy: -0.107
local terms energy: -249.540596
where:
bonds (distance) C4'-P energy: -45.957
bonds (distance) P-C4' energy: -40.222
flat angles C4'-P-C4' energy: -57.841
flat angles P-C4'-P energy: -42.743
tors. eta vs tors. theta energy: -62.777
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: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -659.054295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.054295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.054295 (E_RNA)
where:
Base-Base interactions energy: -419.300
where: short stacking energy: -198.771
Base-Backbone interact. energy: -1.124
local terms energy: -238.631067
where:
bonds (distance) C4'-P energy: -50.315
bonds (distance) P-C4' energy: -56.893
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -26.751
tors. eta vs tors. theta energy: -45.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -601.828010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.828010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.828010 (E_RNA)
where:
Base-Base interactions energy: -371.414
where: short stacking energy: -175.005
Base-Backbone interact. energy: -0.655
local terms energy: -229.758861
where:
bonds (distance) C4'-P energy: -48.407
bonds (distance) P-C4' energy: -49.544
flat angles C4'-P-C4' energy: -53.648
flat angles P-C4'-P energy: -39.725
tors. eta vs tors. theta energy: -38.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -466.905859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.905859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.905859 (E_RNA)
where:
Base-Base interactions energy: -277.929
where: short stacking energy: -129.233
Base-Backbone interact. energy: -2.121
local terms energy: -186.855020
where:
bonds (distance) C4'-P energy: -40.543
bonds (distance) P-C4' energy: -55.597
flat angles C4'-P-C4' energy: -43.844
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -15.321
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: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1084.980967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.980967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.980967 (E_RNA)
where:
Base-Base interactions energy: -760.514
where: short stacking energy: -338.499
Base-Backbone interact. energy: -1.447
local terms energy: -323.020637
where:
bonds (distance) C4'-P energy: -61.919
bonds (distance) P-C4' energy: -51.830
flat angles C4'-P-C4' energy: -66.465
flat angles P-C4'-P energy: -48.378
tors. eta vs tors. theta energy: -94.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1059.567548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.567548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.567548 (E_RNA)
where:
Base-Base interactions energy: -737.919
where: short stacking energy: -317.858
Base-Backbone interact. energy: -0.173
local terms energy: -321.475810
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -57.674
flat angles C4'-P-C4' energy: -69.850
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: -96.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1003.646685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.646685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.646685 (E_RNA)
where:
Base-Base interactions energy: -693.013
where: short stacking energy: -322.463
Base-Backbone interact. energy: -1.542
local terms energy: -309.092004
where:
bonds (distance) C4'-P energy: -57.436
bonds (distance) P-C4' energy: -61.021
flat angles C4'-P-C4' energy: -59.075
flat angles P-C4'-P energy: -38.473
tors. eta vs tors. theta energy: -93.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1000.631971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.631971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.631971 (E_RNA)
where:
Base-Base interactions energy: -697.956
where: short stacking energy: -284.076
Base-Backbone interact. energy: -0.215
local terms energy: -302.461692
where:
bonds (distance) C4'-P energy: -55.786
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -42.836
tors. eta vs tors. theta energy: -85.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -878.669027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.669027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.669027 (E_RNA)
where:
Base-Base interactions energy: -618.493
where: short stacking energy: -257.266
Base-Backbone interact. energy: -1.667
local terms energy: -258.508955
where:
bonds (distance) C4'-P energy: -51.547
bonds (distance) P-C4' energy: -60.067
flat angles C4'-P-C4' energy: -57.092
flat angles P-C4'-P energy: -30.234
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -839.690051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.690051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.690051 (E_RNA)
where:
Base-Base interactions energy: -565.038
where: short stacking energy: -242.844
Base-Backbone interact. energy: -1.046
local terms energy: -273.606379
where:
bonds (distance) C4'-P energy: -47.585
bonds (distance) P-C4' energy: -52.000
flat angles C4'-P-C4' energy: -58.865
flat angles P-C4'-P energy: -41.610
tors. eta vs tors. theta energy: -73.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -787.965373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.965373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.965373 (E_RNA)
where:
Base-Base interactions energy: -530.707
where: short stacking energy: -237.074
Base-Backbone interact. energy: -0.001
local terms energy: -257.257796
where:
bonds (distance) C4'-P energy: -44.562
bonds (distance) P-C4' energy: -51.727
flat angles C4'-P-C4' energy: -64.724
flat angles P-C4'-P energy: -41.568
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -661.162079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.162079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.162079 (E_RNA)
where:
Base-Base interactions energy: -413.371
where: short stacking energy: -190.916
Base-Backbone interact. energy: -1.399
local terms energy: -246.392227
where:
bonds (distance) C4'-P energy: -52.021
bonds (distance) P-C4' energy: -57.573
flat angles C4'-P-C4' energy: -62.442
flat angles P-C4'-P energy: -29.712
tors. eta vs tors. theta energy: -44.645
Dist. restrs. and SS energy: 0.000 (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: 429
Temperature: 1.300000
Total energy: -539.233502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.233502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.233502 (E_RNA)
where:
Base-Base interactions energy: -365.325
where: short stacking energy: -161.209
Base-Backbone interact. energy: -1.547
local terms energy: -172.361762
where:
bonds (distance) C4'-P energy: -47.351
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -420.895641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.895641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.895641 (E_RNA)
where:
Base-Base interactions energy: -236.988
where: short stacking energy: -125.827
Base-Backbone interact. energy: -1.591
local terms energy: -182.316343
where:
bonds (distance) C4'-P energy: -51.845
bonds (distance) P-C4' energy: -46.820
flat angles C4'-P-C4' energy: -44.670
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1095.214974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.214974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.214974 (E_RNA)
where:
Base-Base interactions energy: -778.194
where: short stacking energy: -317.501
Base-Backbone interact. energy: -2.636
local terms energy: -314.384313
where:
bonds (distance) C4'-P energy: -53.735
bonds (distance) P-C4' energy: -59.943
flat angles C4'-P-C4' energy: -71.785
flat angles P-C4'-P energy: -46.227
tors. eta vs tors. theta energy: -82.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1051.252950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.252950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.252950 (E_RNA)
where:
Base-Base interactions energy: -731.083
where: short stacking energy: -296.409
Base-Backbone interact. energy: -1.942
local terms energy: -318.227871
where:
bonds (distance) C4'-P energy: -55.506
bonds (distance) P-C4' energy: -62.775
flat angles C4'-P-C4' energy: -69.477
flat angles P-C4'-P energy: -46.563
tors. eta vs tors. theta energy: -83.907
Dist. restrs. and SS energy: 0.000 (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: 430
Temperature: 1.000000
Total energy: -1021.109675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.109675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.109675 (E_RNA)
where:
Base-Base interactions energy: -709.285
where: short stacking energy: -307.234
Base-Backbone interact. energy: -1.432
local terms energy: -310.392532
where:
bonds (distance) C4'-P energy: -58.339
bonds (distance) P-C4' energy: -61.739
flat angles C4'-P-C4' energy: -60.945
flat angles P-C4'-P energy: -41.726
tors. eta vs tors. theta energy: -87.644
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: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -984.606177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.606177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.606177 (E_RNA)
where:
Base-Base interactions energy: -683.237
where: short stacking energy: -304.024
Base-Backbone interact. energy: -1.683
local terms energy: -299.686284
where:
bonds (distance) C4'-P energy: -47.965
bonds (distance) P-C4' energy: -52.418
flat angles C4'-P-C4' energy: -63.112
flat angles P-C4'-P energy: -40.323
tors. eta vs tors. theta energy: -95.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -893.309378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.309378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.309378 (E_RNA)
where:
Base-Base interactions energy: -625.814
where: short stacking energy: -273.749
Base-Backbone interact. energy: -0.925
local terms energy: -266.569551
where:
bonds (distance) C4'-P energy: -44.332
bonds (distance) P-C4' energy: -45.533
flat angles C4'-P-C4' energy: -67.349
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -69.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -823.347729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.347729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.347729 (E_RNA)
where:
Base-Base interactions energy: -545.838
where: short stacking energy: -241.097
Base-Backbone interact. energy: -0.591
local terms energy: -276.917872
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -58.858
flat angles C4'-P-C4' energy: -56.929
flat angles P-C4'-P energy: -46.681
tors. eta vs tors. theta energy: -61.401
Dist. restrs. and SS energy: 0.000 (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: 430
Temperature: 1.200000
Total energy: -805.029355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.029355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.029355 (E_RNA)
where:
Base-Base interactions energy: -546.765
where: short stacking energy: -236.469
Base-Backbone interact. energy: -0.578
local terms energy: -257.687097
where:
bonds (distance) C4'-P energy: -54.510
bonds (distance) P-C4' energy: -52.348
flat angles C4'-P-C4' energy: -56.450
flat angles P-C4'-P energy: -37.614
tors. eta vs tors. theta energy: -56.765
Dist. restrs. and SS energy: 0.000 (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: 430
Temperature: 1.250000
Total energy: -688.998571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.998571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.998571 (E_RNA)
where:
Base-Base interactions energy: -452.826
where: short stacking energy: -213.243
Base-Backbone interact. energy: -0.829
local terms energy: -235.343507
where:
bonds (distance) C4'-P energy: -51.047
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -60.158
flat angles P-C4'-P energy: -24.617
tors. eta vs tors. theta energy: -53.241
Dist. restrs. and SS energy: 0.000 (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: 430
Temperature: 1.300000
Total energy: -559.592197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.592197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.592197 (E_RNA)
where:
Base-Base interactions energy: -348.889
where: short stacking energy: -168.451
Base-Backbone interact. energy: 2.626
local terms energy: -213.329087
where:
bonds (distance) C4'-P energy: -40.973
bonds (distance) P-C4' energy: -62.485
flat angles C4'-P-C4' energy: -57.019
flat angles P-C4'-P energy: -32.484
tors. eta vs tors. theta energy: -20.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -391.822957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.822957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.822957 (E_RNA)
where:
Base-Base interactions energy: -235.517
where: short stacking energy: -110.679
Base-Backbone interact. energy: 0.149
local terms energy: -156.455035
where:
bonds (distance) C4'-P energy: -37.950
bonds (distance) P-C4' energy: -46.465
flat angles C4'-P-C4' energy: -54.890
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -0.507
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: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1125.241301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.241301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.241301 (E_RNA)
where:
Base-Base interactions energy: -795.069
where: short stacking energy: -317.992
Base-Backbone interact. energy: -1.720
local terms energy: -328.451671
where:
bonds (distance) C4'-P energy: -59.564
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -67.585
flat angles P-C4'-P energy: -51.303
tors. eta vs tors. theta energy: -94.113
Dist. restrs. and SS energy: 0.000 (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: 431
Temperature: 0.950000
Total energy: -1056.282287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.282287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.282287 (E_RNA)
where:
Base-Base interactions energy: -722.967
where: short stacking energy: -300.046
Base-Backbone interact. energy: 0.296
local terms energy: -333.611371
where:
bonds (distance) C4'-P energy: -63.496
bonds (distance) P-C4' energy: -61.076
flat angles C4'-P-C4' energy: -72.733
flat angles P-C4'-P energy: -49.865
tors. eta vs tors. theta energy: -86.442
Dist. restrs. and SS energy: 0.000 (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: 431
Temperature: 1.000000
Total energy: -1016.613854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.613854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.613854 (E_RNA)
where:
Base-Base interactions energy: -713.779
where: short stacking energy: -291.235
Base-Backbone interact. energy: -0.441
local terms energy: -302.394170
where:
bonds (distance) C4'-P energy: -53.886
bonds (distance) P-C4' energy: -58.688
flat angles C4'-P-C4' energy: -60.489
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: -86.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -989.127822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.127822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.127822 (E_RNA)
where:
Base-Base interactions energy: -676.955
where: short stacking energy: -297.670
Base-Backbone interact. energy: -3.312
local terms energy: -308.861163
where:
bonds (distance) C4'-P energy: -51.736
bonds (distance) P-C4' energy: -67.103
flat angles C4'-P-C4' energy: -61.624
flat angles P-C4'-P energy: -34.686
tors. eta vs tors. theta energy: -93.712
Dist. restrs. and SS energy: 0.000 (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: 431
Temperature: 1.100000
Total energy: -895.109802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.109802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.109802 (E_RNA)
where:
Base-Base interactions energy: -619.804
where: short stacking energy: -264.698
Base-Backbone interact. energy: -2.459
local terms energy: -272.846341
where:
bonds (distance) C4'-P energy: -50.199
bonds (distance) P-C4' energy: -54.510
flat angles C4'-P-C4' energy: -58.773
flat angles P-C4'-P energy: -41.576
tors. eta vs tors. theta energy: -67.789
Dist. restrs. and SS energy: 0.000 (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: 431
Temperature: 1.150000
Total energy: -812.602066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.602066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.602066 (E_RNA)
where:
Base-Base interactions energy: -558.822
where: short stacking energy: -239.917
Base-Backbone interact. energy: -1.359
local terms energy: -252.421857
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -51.847
flat angles C4'-P-C4' energy: -58.360
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -58.140
Dist. restrs. and SS energy: 0.000 (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: 431
Temperature: 1.200000
Total energy: -808.438032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.438032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.438032 (E_RNA)
where:
Base-Base interactions energy: -548.255
where: short stacking energy: -223.382
Base-Backbone interact. energy: -0.427
local terms energy: -259.755662
where:
bonds (distance) C4'-P energy: -53.803
bonds (distance) P-C4' energy: -48.953
flat angles C4'-P-C4' energy: -59.928
flat angles P-C4'-P energy: -33.367
tors. eta vs tors. theta energy: -63.705
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: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -649.383064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.383064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.383064 (E_RNA)
where:
Base-Base interactions energy: -446.129
where: short stacking energy: -208.756
Base-Backbone interact. energy: 0.683
local terms energy: -203.936360
where:
bonds (distance) C4'-P energy: -44.988
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -34.002
tors. eta vs tors. theta energy: -32.286
Dist. restrs. and SS energy: 0.000 (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: 431
Temperature: 1.300000
Total energy: -552.790980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.790980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.790980 (E_RNA)
where:
Base-Base interactions energy: -351.474
where: short stacking energy: -152.458
Base-Backbone interact. energy: 1.689
local terms energy: -203.005748
where:
bonds (distance) C4'-P energy: -43.666
bonds (distance) P-C4' energy: -45.303
flat angles C4'-P-C4' energy: -51.387
flat angles P-C4'-P energy: -35.258
tors. eta vs tors. theta energy: -27.392
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: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -358.356532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.356532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.356532 (E_RNA)
where:
Base-Base interactions energy: -180.140
where: short stacking energy: -112.250
Base-Backbone interact. energy: -0.549
local terms energy: -177.668013
where:
bonds (distance) C4'-P energy: -56.658
bonds (distance) P-C4' energy: -48.173
flat angles C4'-P-C4' energy: -41.620
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1108.583005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.583005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.583005 (E_RNA)
where:
Base-Base interactions energy: -795.193
where: short stacking energy: -342.525
Base-Backbone interact. energy: 0.913
local terms energy: -314.302587
where:
bonds (distance) C4'-P energy: -49.558
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -67.268
flat angles P-C4'-P energy: -41.038
tors. eta vs tors. theta energy: -94.611
Dist. restrs. and SS energy: 0.000 (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: 432
Temperature: 0.950000
Total energy: -1063.314845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.314845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.314845 (E_RNA)
where:
Base-Base interactions energy: -761.820
where: short stacking energy: -320.836
Base-Backbone interact. energy: -1.069
local terms energy: -300.426004
where:
bonds (distance) C4'-P energy: -57.231
bonds (distance) P-C4' energy: -47.022
flat angles C4'-P-C4' energy: -57.492
flat angles P-C4'-P energy: -47.387
tors. eta vs tors. theta energy: -91.293
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: 3, replica: 1
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -994.653261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.653261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.653261 (E_RNA)
where:
Base-Base interactions energy: -697.446
where: short stacking energy: -298.575
Base-Backbone interact. energy: -0.301
local terms energy: -296.906513
where:
bonds (distance) C4'-P energy: -65.801
bonds (distance) P-C4' energy: -51.331
flat angles C4'-P-C4' energy: -55.750
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -84.387
Dist. restrs. and SS energy: 0.000 (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: 432
Temperature: 1.050000
Total energy: -988.060377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.060377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.060377 (E_RNA)
where:
Base-Base interactions energy: -676.906
where: short stacking energy: -281.408
Base-Backbone interact. energy: -0.792
local terms energy: -310.362645
where:
bonds (distance) C4'-P energy: -65.867
bonds (distance) P-C4' energy: -63.746
flat angles C4'-P-C4' energy: -65.059
flat angles P-C4'-P energy: -30.071
tors. eta vs tors. theta energy: -85.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -845.069533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.069533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.069533 (E_RNA)
where:
Base-Base interactions energy: -569.415
where: short stacking energy: -258.940
Base-Backbone interact. energy: 0.591
local terms energy: -276.245881
where:
bonds (distance) C4'-P energy: -41.141
bonds (distance) P-C4' energy: -52.297
flat angles C4'-P-C4' energy: -66.678
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -68.397
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: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -895.356691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.356691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.356691 (E_RNA)
where:
Base-Base interactions energy: -623.414
where: short stacking energy: -263.989
Base-Backbone interact. energy: -0.930
local terms energy: -271.013402
where:
bonds (distance) C4'-P energy: -48.911
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -58.648
flat angles P-C4'-P energy: -35.484
tors. eta vs tors. theta energy: -70.161
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: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -806.667386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.667386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.667386 (E_RNA)
where:
Base-Base interactions energy: -541.131
where: short stacking energy: -233.314
Base-Backbone interact. energy: -0.725
local terms energy: -264.811253
where:
bonds (distance) C4'-P energy: -59.401
bonds (distance) P-C4' energy: -50.963
flat angles C4'-P-C4' energy: -62.485
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: -61.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -676.382571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.382571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.382571 (E_RNA)
where:
Base-Base interactions energy: -446.316
where: short stacking energy: -188.194
Base-Backbone interact. energy: 3.843
local terms energy: -233.909492
where:
bonds (distance) C4'-P energy: -41.872
bonds (distance) P-C4' energy: -56.850
flat angles C4'-P-C4' energy: -62.431
flat angles P-C4'-P energy: -34.868
tors. eta vs tors. theta energy: -37.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -557.140389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.140389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.140389 (E_RNA)
where:
Base-Base interactions energy: -336.510
where: short stacking energy: -158.225
Base-Backbone interact. energy: -2.188
local terms energy: -218.442588
where:
bonds (distance) C4'-P energy: -49.399
bonds (distance) P-C4' energy: -57.853
flat angles C4'-P-C4' energy: -57.079
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -20.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -349.541650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.541650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.541650 (E_RNA)
where:
Base-Base interactions energy: -163.340
where: short stacking energy: -110.278
Base-Backbone interact. energy: -1.225
local terms energy: -184.976042
where:
bonds (distance) C4'-P energy: -52.224
bonds (distance) P-C4' energy: -59.613
flat angles C4'-P-C4' energy: -43.943
flat angles P-C4'-P energy: -28.613
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1101.739786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.739786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.739786 (E_RNA)
where:
Base-Base interactions energy: -782.076
where: short stacking energy: -330.128
Base-Backbone interact. energy: -1.631
local terms energy: -318.032909
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -62.204
flat angles C4'-P-C4' energy: -67.068
flat angles P-C4'-P energy: -44.301
tors. eta vs tors. theta energy: -87.503
Dist. restrs. and SS energy: 0.000 (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: 433
Temperature: 0.950000
Total energy: -1043.625858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.625858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.625858 (E_RNA)
where:
Base-Base interactions energy: -728.518
where: short stacking energy: -302.018
Base-Backbone interact. energy: -1.112
local terms energy: -313.996645
where:
bonds (distance) C4'-P energy: -56.575
bonds (distance) P-C4' energy: -61.151
flat angles C4'-P-C4' energy: -61.501
flat angles P-C4'-P energy: -47.408
tors. eta vs tors. theta energy: -87.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -984.198275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.198275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.198275 (E_RNA)
where:
Base-Base interactions energy: -686.539
where: short stacking energy: -284.235
Base-Backbone interact. energy: -0.149
local terms energy: -297.510096
where:
bonds (distance) C4'-P energy: -51.241
bonds (distance) P-C4' energy: -52.352
flat angles C4'-P-C4' energy: -65.675
flat angles P-C4'-P energy: -40.620
tors. eta vs tors. theta energy: -87.622
Dist. restrs. and SS energy: 0.000 (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: 433
Temperature: 1.050000
Total energy: -1003.256985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.256985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.256985 (E_RNA)
where:
Base-Base interactions energy: -673.031
where: short stacking energy: -285.769
Base-Backbone interact. energy: -2.069
local terms energy: -328.157849
where:
bonds (distance) C4'-P energy: -61.577
bonds (distance) P-C4' energy: -66.795
flat angles C4'-P-C4' energy: -59.877
flat angles P-C4'-P energy: -52.755
tors. eta vs tors. theta energy: -87.154
Dist. restrs. and SS energy: 0.000 (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: 433
Temperature: 1.100000
Total energy: -856.255830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.255830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.255830 (E_RNA)
where:
Base-Base interactions energy: -583.345
where: short stacking energy: -262.283
Base-Backbone interact. energy: -0.505
local terms energy: -272.406622
where:
bonds (distance) C4'-P energy: -50.771
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -60.886
flat angles P-C4'-P energy: -45.647
tors. eta vs tors. theta energy: -66.823
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: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -868.696629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.696629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.696629 (E_RNA)
where:
Base-Base interactions energy: -584.420
where: short stacking energy: -246.179
Base-Backbone interact. energy: -1.952
local terms energy: -282.325017
where:
bonds (distance) C4'-P energy: -56.387
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -66.843
flat angles P-C4'-P energy: -35.289
tors. eta vs tors. theta energy: -67.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -820.955846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.955846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.955846 (E_RNA)
where:
Base-Base interactions energy: -576.634
where: short stacking energy: -237.681
Base-Backbone interact. energy: -1.926
local terms energy: -242.396054
where:
bonds (distance) C4'-P energy: -57.954
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -47.082
flat angles P-C4'-P energy: -38.783
tors. eta vs tors. theta energy: -52.008
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: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -666.135061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.135061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.135061 (E_RNA)
where:
Base-Base interactions energy: -455.478
where: short stacking energy: -201.955
Base-Backbone interact. energy: -0.067
local terms energy: -210.589274
where:
bonds (distance) C4'-P energy: -47.739
bonds (distance) P-C4' energy: -51.349
flat angles C4'-P-C4' energy: -52.250
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -33.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -575.431876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.431876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.431876 (E_RNA)
where:
Base-Base interactions energy: -365.199
where: short stacking energy: -163.509
Base-Backbone interact. energy: 0.233
local terms energy: -210.465911
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -57.447
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: -30.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -444.204954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.204954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.204954 (E_RNA)
where:
Base-Base interactions energy: -235.446
where: short stacking energy: -125.782
Base-Backbone interact. energy: 3.283
local terms energy: -212.041929
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -52.092
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -26.883
tors. eta vs tors. theta energy: -19.086
Dist. restrs. and SS energy: 0.000 (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: 434
Temperature: 0.900000
Total energy: -1123.404030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.404030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.404030 (E_RNA)
where:
Base-Base interactions energy: -781.720
where: short stacking energy: -338.897
Base-Backbone interact. energy: -0.611
local terms energy: -341.072927
where:
bonds (distance) C4'-P energy: -67.278
bonds (distance) P-C4' energy: -59.876
flat angles C4'-P-C4' energy: -73.111
flat angles P-C4'-P energy: -46.655
tors. eta vs tors. theta energy: -94.152
Dist. restrs. and SS energy: 0.000 (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: 434
Temperature: 0.950000
Total energy: -1058.883009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.883009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.883009 (E_RNA)
where:
Base-Base interactions energy: -735.800
where: short stacking energy: -333.053
Base-Backbone interact. energy: -0.461
local terms energy: -322.621715
where:
bonds (distance) C4'-P energy: -55.790
bonds (distance) P-C4' energy: -52.671
flat angles C4'-P-C4' energy: -71.358
flat angles P-C4'-P energy: -48.033
tors. eta vs tors. theta energy: -94.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1018.574182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.574182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.574182 (E_RNA)
where:
Base-Base interactions energy: -727.010
where: short stacking energy: -304.836
Base-Backbone interact. energy: -2.725
local terms energy: -288.838766
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -53.570
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -83.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -985.841451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.841451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.841451 (E_RNA)
where:
Base-Base interactions energy: -669.011
where: short stacking energy: -288.293
Base-Backbone interact. energy: -0.488
local terms energy: -316.342539
where:
bonds (distance) C4'-P energy: -60.919
bonds (distance) P-C4' energy: -53.189
flat angles C4'-P-C4' energy: -72.370
flat angles P-C4'-P energy: -45.754
tors. eta vs tors. theta energy: -84.111
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: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -868.677889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.677889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.677889 (E_RNA)
where:
Base-Base interactions energy: -614.373
where: short stacking energy: -250.733
Base-Backbone interact. energy: -0.314
local terms energy: -253.990763
where:
bonds (distance) C4'-P energy: -53.572
bonds (distance) P-C4' energy: -51.788
flat angles C4'-P-C4' energy: -56.062
flat angles P-C4'-P energy: -29.241
tors. eta vs tors. theta energy: -63.327
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: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -832.929351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.929351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.929351 (E_RNA)
where:
Base-Base interactions energy: -553.153
where: short stacking energy: -230.140
Base-Backbone interact. energy: -0.288
local terms energy: -279.488636
where:
bonds (distance) C4'-P energy: -55.232
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -67.688
flat angles P-C4'-P energy: -45.550
tors. eta vs tors. theta energy: -57.647
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: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -799.861243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.861243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.861243 (E_RNA)
where:
Base-Base interactions energy: -536.620
where: short stacking energy: -226.682
Base-Backbone interact. energy: -0.628
local terms energy: -262.613984
where:
bonds (distance) C4'-P energy: -43.927
bonds (distance) P-C4' energy: -49.897
flat angles C4'-P-C4' energy: -59.329
flat angles P-C4'-P energy: -44.704
tors. eta vs tors. theta energy: -64.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -684.499486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.499486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.499486 (E_RNA)
where:
Base-Base interactions energy: -458.034
where: short stacking energy: -201.851
Base-Backbone interact. energy: -1.090
local terms energy: -225.376131
where:
bonds (distance) C4'-P energy: -55.746
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -53.523
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: -38.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -565.474708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.474708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.474708 (E_RNA)
where:
Base-Base interactions energy: -367.181
where: short stacking energy: -166.739
Base-Backbone interact. energy: -0.926
local terms energy: -197.367762
where:
bonds (distance) C4'-P energy: -39.194
bonds (distance) P-C4' energy: -53.216
flat angles C4'-P-C4' energy: -52.562
flat angles P-C4'-P energy: -31.774
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (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: 434
Temperature: 1.350000
Total energy: -412.947061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.947061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.947061 (E_RNA)
where:
Base-Base interactions energy: -228.045
where: short stacking energy: -124.255
Base-Backbone interact. energy: 0.929
local terms energy: -185.831544
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -57.442
flat angles C4'-P-C4' energy: -50.546
flat angles P-C4'-P energy: -29.674
tors. eta vs tors. theta energy: -11.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1110.179965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.179965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.179965 (E_RNA)
where:
Base-Base interactions energy: -785.595
where: short stacking energy: -320.991
Base-Backbone interact. energy: -1.712
local terms energy: -322.873024
where:
bonds (distance) C4'-P energy: -53.289
bonds (distance) P-C4' energy: -61.784
flat angles C4'-P-C4' energy: -69.663
flat angles P-C4'-P energy: -51.848
tors. eta vs tors. theta energy: -86.290
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: 2, replica: 10
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1065.290391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.290391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.290391 (E_RNA)
where:
Base-Base interactions energy: -750.051
where: short stacking energy: -331.404
Base-Backbone interact. energy: -0.591
local terms energy: -314.648391
where:
bonds (distance) C4'-P energy: -61.607
bonds (distance) P-C4' energy: -48.129
flat angles C4'-P-C4' energy: -64.319
flat angles P-C4'-P energy: -46.295
tors. eta vs tors. theta energy: -94.299
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: 3, replica: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1059.532828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.532828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.532828 (E_RNA)
where:
Base-Base interactions energy: -728.528
where: short stacking energy: -320.740
Base-Backbone interact. energy: -0.356
local terms energy: -330.648506
where:
bonds (distance) C4'-P energy: -59.930
bonds (distance) P-C4' energy: -67.286
flat angles C4'-P-C4' energy: -67.430
flat angles P-C4'-P energy: -43.862
tors. eta vs tors. theta energy: -92.140
Dist. restrs. and SS energy: 0.000 (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: 435
Temperature: 1.050000
Total energy: -1022.090932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.090932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.090932 (E_RNA)
where:
Base-Base interactions energy: -706.699
where: short stacking energy: -299.148
Base-Backbone interact. energy: 0.584
local terms energy: -315.975798
where:
bonds (distance) C4'-P energy: -51.348
bonds (distance) P-C4' energy: -59.896
flat angles C4'-P-C4' energy: -66.056
flat angles P-C4'-P energy: -46.933
tors. eta vs tors. theta energy: -91.743
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: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -884.069912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.069912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.069912 (E_RNA)
where:
Base-Base interactions energy: -605.606
where: short stacking energy: -264.320
Base-Backbone interact. energy: -1.429
local terms energy: -277.034985
where:
bonds (distance) C4'-P energy: -50.391
bonds (distance) P-C4' energy: -62.010
flat angles C4'-P-C4' energy: -55.595
flat angles P-C4'-P energy: -42.263
tors. eta vs tors. theta energy: -66.776
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: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -830.600910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.600910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.600910 (E_RNA)
where:
Base-Base interactions energy: -564.881
where: short stacking energy: -241.336
Base-Backbone interact. energy: -1.627
local terms energy: -264.093074
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -64.496
flat angles C4'-P-C4' energy: -56.566
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: -54.811
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: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -824.047703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.047703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.047703 (E_RNA)
where:
Base-Base interactions energy: -583.527
where: short stacking energy: -250.219
Base-Backbone interact. energy: -0.602
local terms energy: -239.919373
where:
bonds (distance) C4'-P energy: -45.077
bonds (distance) P-C4' energy: -50.275
flat angles C4'-P-C4' energy: -55.547
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -63.336
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: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -661.846014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.846014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.846014 (E_RNA)
where:
Base-Base interactions energy: -431.777
where: short stacking energy: -191.056
Base-Backbone interact. energy: 2.040
local terms energy: -232.109181
where:
bonds (distance) C4'-P energy: -48.624
bonds (distance) P-C4' energy: -46.728
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: -49.170
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: 9, replica: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -571.570927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.570927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.570927 (E_RNA)
where:
Base-Base interactions energy: -352.672
where: short stacking energy: -170.107
Base-Backbone interact. energy: -1.415
local terms energy: -217.484109
where:
bonds (distance) C4'-P energy: -55.905
bonds (distance) P-C4' energy: -41.058
flat angles C4'-P-C4' energy: -47.143
flat angles P-C4'-P energy: -28.992
tors. eta vs tors. theta energy: -44.386
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: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -402.793954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.793954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.793954 (E_RNA)
where:
Base-Base interactions energy: -231.318
where: short stacking energy: -117.802
Base-Backbone interact. energy: 2.200
local terms energy: -173.675273
where:
bonds (distance) C4'-P energy: -39.693
bonds (distance) P-C4' energy: -46.513
flat angles C4'-P-C4' energy: -50.166
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (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: 436
Temperature: 0.900000
Total energy: -1106.139142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.139142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.139142 (E_RNA)
where:
Base-Base interactions energy: -782.491
where: short stacking energy: -320.185
Base-Backbone interact. energy: -4.006
local terms energy: -319.641815
where:
bonds (distance) C4'-P energy: -61.464
bonds (distance) P-C4' energy: -58.407
flat angles C4'-P-C4' energy: -62.267
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -89.060
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: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1082.472140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.472140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.472140 (E_RNA)
where:
Base-Base interactions energy: -761.967
where: short stacking energy: -320.231
Base-Backbone interact. energy: -1.297
local terms energy: -319.208103
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -60.422
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: -94.487
Dist. restrs. and SS energy: 0.000 (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: -1034.901019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.901019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.901019 (E_RNA)
where:
Base-Base interactions energy: -719.357
where: short stacking energy: -333.759
Base-Backbone interact. energy: -0.441
local terms energy: -315.103037
where:
bonds (distance) C4'-P energy: -49.818
bonds (distance) P-C4' energy: -66.241
flat angles C4'-P-C4' energy: -63.467
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: -95.667
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: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1005.070809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.070809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.070809 (E_RNA)
where:
Base-Base interactions energy: -703.811
where: short stacking energy: -306.053
Base-Backbone interact. energy: -1.061
local terms energy: -300.198780
where:
bonds (distance) C4'-P energy: -56.508
bonds (distance) P-C4' energy: -52.605
flat angles C4'-P-C4' energy: -65.941
flat angles P-C4'-P energy: -37.919
tors. eta vs tors. theta energy: -87.225
Dist. restrs. and SS energy: 0.000 (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: 436
Temperature: 1.100000
Total energy: -876.928986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.928986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.928986 (E_RNA)
where:
Base-Base interactions energy: -615.627
where: short stacking energy: -258.330
Base-Backbone interact. energy: -1.203
local terms energy: -260.099425
where:
bonds (distance) C4'-P energy: -59.223
bonds (distance) P-C4' energy: -55.069
flat angles C4'-P-C4' energy: -51.540
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -58.849
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: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -833.077410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.077410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.077410 (E_RNA)
where:
Base-Base interactions energy: -559.026
where: short stacking energy: -237.868
Base-Backbone interact. energy: -1.259
local terms energy: -272.792190
where:
bonds (distance) C4'-P energy: -62.134
bonds (distance) P-C4' energy: -50.567
flat angles C4'-P-C4' energy: -60.949
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -62.703
Dist. restrs. and SS energy: 0.000 (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: 436
Temperature: 1.200000
Total energy: -811.225857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.225857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.225857 (E_RNA)
where:
Base-Base interactions energy: -549.586
where: short stacking energy: -245.603
Base-Backbone interact. energy: -0.843
local terms energy: -260.797380
where:
bonds (distance) C4'-P energy: -53.282
bonds (distance) P-C4' energy: -44.829
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -39.352
tors. eta vs tors. theta energy: -63.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -688.158500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.158500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.158500 (E_RNA)
where:
Base-Base interactions energy: -463.845
where: short stacking energy: -201.172
Base-Backbone interact. energy: -1.124
local terms energy: -223.189270
where:
bonds (distance) C4'-P energy: -56.046
bonds (distance) P-C4' energy: -52.797
flat angles C4'-P-C4' energy: -46.955
flat angles P-C4'-P energy: -28.591
tors. eta vs tors. theta energy: -38.801
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: 9, replica: 2
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -581.922777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.922777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.922777 (E_RNA)
where:
Base-Base interactions energy: -360.902
where: short stacking energy: -166.382
Base-Backbone interact. energy: 1.027
local terms energy: -222.047474
where:
bonds (distance) C4'-P energy: -52.966
bonds (distance) P-C4' energy: -51.599
flat angles C4'-P-C4' energy: -57.027
flat angles P-C4'-P energy: -28.539
tors. eta vs tors. theta energy: -31.917
Dist. restrs. and SS energy: 0.000 (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: 436
Temperature: 1.350000
Total energy: -428.337716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.337716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.337716 (E_RNA)
where:
Base-Base interactions energy: -248.071
where: short stacking energy: -125.327
Base-Backbone interact. energy: 0.087
local terms energy: -180.354253
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -42.090
flat angles C4'-P-C4' energy: -46.538
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1106.415765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.415765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.415765 (E_RNA)
where:
Base-Base interactions energy: -767.713
where: short stacking energy: -315.432
Base-Backbone interact. energy: 1.507
local terms energy: -340.209127
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -65.688
flat angles C4'-P-C4' energy: -71.472
flat angles P-C4'-P energy: -50.589
tors. eta vs tors. theta energy: -87.219
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: 2, replica: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1069.954932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.954932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.954932 (E_RNA)
where:
Base-Base interactions energy: -729.725
where: short stacking energy: -307.971
Base-Backbone interact. energy: -1.606
local terms energy: -338.623487
where:
bonds (distance) C4'-P energy: -54.725
bonds (distance) P-C4' energy: -61.705
flat angles C4'-P-C4' energy: -71.556
flat angles P-C4'-P energy: -53.920
tors. eta vs tors. theta energy: -96.718
Dist. restrs. and SS energy: 0.000 (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: 437
Temperature: 1.000000
Total energy: -1026.492565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.492565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.492565 (E_RNA)
where:
Base-Base interactions energy: -713.458
where: short stacking energy: -297.658
Base-Backbone interact. energy: -0.311
local terms energy: -312.723365
where:
bonds (distance) C4'-P energy: -61.546
bonds (distance) P-C4' energy: -51.843
flat angles C4'-P-C4' energy: -65.937
flat angles P-C4'-P energy: -43.743
tors. eta vs tors. theta energy: -89.655
Dist. restrs. and SS energy: 0.000 (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: 437
Temperature: 1.050000
Total energy: -997.806283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.806283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.806283 (E_RNA)
where:
Base-Base interactions energy: -689.242
where: short stacking energy: -306.904
Base-Backbone interact. energy: -0.969
local terms energy: -307.595914
where:
bonds (distance) C4'-P energy: -40.600
bonds (distance) P-C4' energy: -65.992
flat angles C4'-P-C4' energy: -64.215
flat angles P-C4'-P energy: -44.595
tors. eta vs tors. theta energy: -92.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -874.997920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.997920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.997920 (E_RNA)
where:
Base-Base interactions energy: -598.499
where: short stacking energy: -259.735
Base-Backbone interact. energy: -0.112
local terms energy: -276.387033
where:
bonds (distance) C4'-P energy: -44.363
bonds (distance) P-C4' energy: -66.340
flat angles C4'-P-C4' energy: -57.110
flat angles P-C4'-P energy: -41.754
tors. eta vs tors. theta energy: -66.820
Dist. restrs. and SS energy: 0.000 (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: 437
Temperature: 1.150000
Total energy: -824.871540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.871540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.871540 (E_RNA)
where:
Base-Base interactions energy: -544.321
where: short stacking energy: -236.224
Base-Backbone interact. energy: 0.470
local terms energy: -281.020526
where:
bonds (distance) C4'-P energy: -60.897
bonds (distance) P-C4' energy: -48.835
flat angles C4'-P-C4' energy: -64.512
flat angles P-C4'-P energy: -41.651
tors. eta vs tors. theta energy: -65.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -810.895762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.895762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.895762 (E_RNA)
where:
Base-Base interactions energy: -538.510
where: short stacking energy: -229.249
Base-Backbone interact. energy: -0.443
local terms energy: -271.943048
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -62.384
flat angles C4'-P-C4' energy: -56.997
flat angles P-C4'-P energy: -36.070
tors. eta vs tors. theta energy: -63.489
Dist. restrs. and SS energy: 0.000 (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: 437
Temperature: 1.250000
Total energy: -678.763324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.763324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.763324 (E_RNA)
where:
Base-Base interactions energy: -459.342
where: short stacking energy: -212.886
Base-Backbone interact. energy: -1.329
local terms energy: -218.092283
where:
bonds (distance) C4'-P energy: -62.165
bonds (distance) P-C4' energy: -49.650
flat angles C4'-P-C4' energy: -44.299
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -39.914
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: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -555.850875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.850875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.850875 (E_RNA)
where:
Base-Base interactions energy: -341.122
where: short stacking energy: -172.551
Base-Backbone interact. energy: -0.113
local terms energy: -214.615599
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -51.449
flat angles C4'-P-C4' energy: -53.358
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (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: 437
Temperature: 1.350000
Total energy: -337.962379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.962379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.962379 (E_RNA)
where:
Base-Base interactions energy: -167.689
where: short stacking energy: -118.965
Base-Backbone interact. energy: 1.631
local terms energy: -171.904464
where:
bonds (distance) C4'-P energy: -41.886
bonds (distance) P-C4' energy: -44.095
flat angles C4'-P-C4' energy: -42.518
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -15.015
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: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1083.492618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.492618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.492618 (E_RNA)
where:
Base-Base interactions energy: -750.685
where: short stacking energy: -319.320
Base-Backbone interact. energy: 0.117
local terms energy: -332.923823
where:
bonds (distance) C4'-P energy: -58.082
bonds (distance) P-C4' energy: -65.052
flat angles C4'-P-C4' energy: -68.836
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: -93.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1084.093993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.093993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.093993 (E_RNA)
where:
Base-Base interactions energy: -771.923
where: short stacking energy: -312.562
Base-Backbone interact. energy: -3.772
local terms energy: -308.398460
where:
bonds (distance) C4'-P energy: -61.057
bonds (distance) P-C4' energy: -55.232
flat angles C4'-P-C4' energy: -62.642
flat angles P-C4'-P energy: -44.179
tors. eta vs tors. theta energy: -85.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1027.317068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.317068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.317068 (E_RNA)
where:
Base-Base interactions energy: -713.133
where: short stacking energy: -323.980
Base-Backbone interact. energy: -2.349
local terms energy: -311.835023
where:
bonds (distance) C4'-P energy: -55.543
bonds (distance) P-C4' energy: -62.661
flat angles C4'-P-C4' energy: -61.330
flat angles P-C4'-P energy: -43.098
tors. eta vs tors. theta energy: -89.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1007.008566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.008566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.008566 (E_RNA)
where:
Base-Base interactions energy: -696.196
where: short stacking energy: -296.393
Base-Backbone interact. energy: 0.894
local terms energy: -311.706560
where:
bonds (distance) C4'-P energy: -52.537
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -70.425
flat angles P-C4'-P energy: -40.509
tors. eta vs tors. theta energy: -86.339
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: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -891.468406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.468406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.468406 (E_RNA)
where:
Base-Base interactions energy: -611.734
where: short stacking energy: -250.783
Base-Backbone interact. energy: 0.663
local terms energy: -280.396855
where:
bonds (distance) C4'-P energy: -57.512
bonds (distance) P-C4' energy: -53.181
flat angles C4'-P-C4' energy: -62.323
flat angles P-C4'-P energy: -40.389
tors. eta vs tors. theta energy: -66.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -825.920785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.920785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.920785 (E_RNA)
where:
Base-Base interactions energy: -575.381
where: short stacking energy: -253.489
Base-Backbone interact. energy: 0.471
local terms energy: -251.011472
where:
bonds (distance) C4'-P energy: -49.429
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -38.909
tors. eta vs tors. theta energy: -61.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -815.502344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.502344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.502344 (E_RNA)
where:
Base-Base interactions energy: -569.006
where: short stacking energy: -233.917
Base-Backbone interact. energy: -1.008
local terms energy: -245.488076
where:
bonds (distance) C4'-P energy: -58.211
bonds (distance) P-C4' energy: -50.989
flat angles C4'-P-C4' energy: -62.687
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -654.345145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.345145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.345145 (E_RNA)
where:
Base-Base interactions energy: -419.876
where: short stacking energy: -191.073
Base-Backbone interact. energy: 1.077
local terms energy: -235.546014
where:
bonds (distance) C4'-P energy: -48.022
bonds (distance) P-C4' energy: -49.706
flat angles C4'-P-C4' energy: -53.072
flat angles P-C4'-P energy: -46.055
tors. eta vs tors. theta energy: -38.690
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: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -564.978882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.978882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.978882 (E_RNA)
where:
Base-Base interactions energy: -357.598
where: short stacking energy: -170.697
Base-Backbone interact. energy: -0.904
local terms energy: -206.476659
where:
bonds (distance) C4'-P energy: -41.887
bonds (distance) P-C4' energy: -55.913
flat angles C4'-P-C4' energy: -43.908
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -30.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -403.854067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.854067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.854067 (E_RNA)
where:
Base-Base interactions energy: -221.943
where: short stacking energy: -103.826
Base-Backbone interact. energy: -2.466
local terms energy: -179.444583
where:
bonds (distance) C4'-P energy: -60.020
bonds (distance) P-C4' energy: -49.110
flat angles C4'-P-C4' energy: -44.656
flat angles P-C4'-P energy: -28.349
tors. eta vs tors. theta energy: 2.690
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: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1077.954865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.954865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.954865 (E_RNA)
where:
Base-Base interactions energy: -733.989
where: short stacking energy: -328.691
Base-Backbone interact. energy: -1.204
local terms energy: -342.761883
where:
bonds (distance) C4'-P energy: -63.469
bonds (distance) P-C4' energy: -62.584
flat angles C4'-P-C4' energy: -69.014
flat angles P-C4'-P energy: -46.233
tors. eta vs tors. theta energy: -101.461
Dist. restrs. and SS energy: 0.000 (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: 439
Temperature: 0.950000
Total energy: -1090.624869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.624869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.624869 (E_RNA)
where:
Base-Base interactions energy: -755.444
where: short stacking energy: -301.015
Base-Backbone interact. energy: 1.325
local terms energy: -336.505787
where:
bonds (distance) C4'-P energy: -60.302
bonds (distance) P-C4' energy: -55.375
flat angles C4'-P-C4' energy: -70.433
flat angles P-C4'-P energy: -54.184
tors. eta vs tors. theta energy: -96.212
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: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1034.217313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.217313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.217313 (E_RNA)
where:
Base-Base interactions energy: -704.666
where: short stacking energy: -307.337
Base-Backbone interact. energy: -2.735
local terms energy: -326.816410
where:
bonds (distance) C4'-P energy: -54.326
bonds (distance) P-C4' energy: -55.390
flat angles C4'-P-C4' energy: -69.609
flat angles P-C4'-P energy: -51.619
tors. eta vs tors. theta energy: -95.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -990.194668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.194668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.194668 (E_RNA)
where:
Base-Base interactions energy: -688.773
where: short stacking energy: -293.550
Base-Backbone interact. energy: -0.592
local terms energy: -300.829709
where:
bonds (distance) C4'-P energy: -55.677
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -59.234
flat angles P-C4'-P energy: -43.217
tors. eta vs tors. theta energy: -87.274
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: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -852.246581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.246581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.246581 (E_RNA)
where:
Base-Base interactions energy: -576.610
where: short stacking energy: -261.136
Base-Backbone interact. energy: -0.530
local terms energy: -275.106706
where:
bonds (distance) C4'-P energy: -48.301
bonds (distance) P-C4' energy: -57.174
flat angles C4'-P-C4' energy: -64.832
flat angles P-C4'-P energy: -44.653
tors. eta vs tors. theta energy: -60.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -843.580404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.580404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.580404 (E_RNA)
where:
Base-Base interactions energy: -598.180
where: short stacking energy: -261.126
Base-Backbone interact. energy: -0.168
local terms energy: -245.232394
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -48.125
flat angles C4'-P-C4' energy: -48.852
flat angles P-C4'-P energy: -35.597
tors. eta vs tors. theta energy: -63.947
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: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -823.747753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.747753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.747753 (E_RNA)
where:
Base-Base interactions energy: -564.293
where: short stacking energy: -250.512
Base-Backbone interact. energy: 5.311
local terms energy: -264.766540
where:
bonds (distance) C4'-P energy: -59.348
bonds (distance) P-C4' energy: -49.264
flat angles C4'-P-C4' energy: -58.903
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -61.484
Dist. restrs. and SS energy: 0.000 (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: 439
Temperature: 1.250000
Total energy: -669.724728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.724728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.724728 (E_RNA)
where:
Base-Base interactions energy: -437.481
where: short stacking energy: -199.766
Base-Backbone interact. energy: -0.882
local terms energy: -231.362332
where:
bonds (distance) C4'-P energy: -40.258
bonds (distance) P-C4' energy: -51.288
flat angles C4'-P-C4' energy: -53.690
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: -44.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -547.237752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.237752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.237752 (E_RNA)
where:
Base-Base interactions energy: -330.614
where: short stacking energy: -156.636
Base-Backbone interact. energy: -0.810
local terms energy: -215.813106
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -61.844
flat angles C4'-P-C4' energy: -47.632
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -22.439
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: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -420.074624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.074624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.074624 (E_RNA)
where:
Base-Base interactions energy: -246.344
where: short stacking energy: -125.720
Base-Backbone interact. energy: 1.733
local terms energy: -175.463537
where:
bonds (distance) C4'-P energy: -48.680
bonds (distance) P-C4' energy: -47.599
flat angles C4'-P-C4' energy: -45.013
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -18.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1099.440184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.440184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.440184 (E_RNA)
where:
Base-Base interactions energy: -770.964
where: short stacking energy: -316.279
Base-Backbone interact. energy: 0.301
local terms energy: -328.777260
where:
bonds (distance) C4'-P energy: -55.097
bonds (distance) P-C4' energy: -68.870
flat angles C4'-P-C4' energy: -65.398
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: -90.749
Dist. restrs. and SS energy: 0.000 (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: 440
Temperature: 0.950000
Total energy: -1062.224318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.224318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.224318 (E_RNA)
where:
Base-Base interactions energy: -736.164
where: short stacking energy: -337.359
Base-Backbone interact. energy: -0.280
local terms energy: -325.780624
where:
bonds (distance) C4'-P energy: -61.679
bonds (distance) P-C4' energy: -62.721
flat angles C4'-P-C4' energy: -64.143
flat angles P-C4'-P energy: -42.259
tors. eta vs tors. theta energy: -94.979
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: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1016.253663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.253663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.253663 (E_RNA)
where:
Base-Base interactions energy: -697.470
where: short stacking energy: -298.219
Base-Backbone interact. energy: 0.885
local terms energy: -319.668087
where:
bonds (distance) C4'-P energy: -66.608
bonds (distance) P-C4' energy: -58.488
flat angles C4'-P-C4' energy: -70.261
flat angles P-C4'-P energy: -41.525
tors. eta vs tors. theta energy: -82.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -968.700123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.700123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.700123 (E_RNA)
where:
Base-Base interactions energy: -668.643
where: short stacking energy: -283.388
Base-Backbone interact. energy: -1.239
local terms energy: -298.818460
where:
bonds (distance) C4'-P energy: -46.033
bonds (distance) P-C4' energy: -53.706
flat angles C4'-P-C4' energy: -70.962
flat angles P-C4'-P energy: -49.868
tors. eta vs tors. theta energy: -78.250
Dist. restrs. and SS energy: 0.000 (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: 440
Temperature: 1.100000
Total energy: -874.447816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.447816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.447816 (E_RNA)
where:
Base-Base interactions energy: -611.873
where: short stacking energy: -260.880
Base-Backbone interact. energy: -0.741
local terms energy: -261.834099
where:
bonds (distance) C4'-P energy: -53.924
bonds (distance) P-C4' energy: -57.038
flat angles C4'-P-C4' energy: -58.519
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -63.719
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: 6, replica: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -815.232908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.232908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.232908 (E_RNA)
where:
Base-Base interactions energy: -550.443
where: short stacking energy: -242.923
Base-Backbone interact. energy: -0.896
local terms energy: -263.894188
where:
bonds (distance) C4'-P energy: -49.375
bonds (distance) P-C4' energy: -59.709
flat angles C4'-P-C4' energy: -65.220
flat angles P-C4'-P energy: -33.643
tors. eta vs tors. theta energy: -55.948
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: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -818.505580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.505580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.505580 (E_RNA)
where:
Base-Base interactions energy: -560.607
where: short stacking energy: -241.504
Base-Backbone interact. energy: 6.717
local terms energy: -264.615130
where:
bonds (distance) C4'-P energy: -57.149
bonds (distance) P-C4' energy: -49.847
flat angles C4'-P-C4' energy: -57.745
flat angles P-C4'-P energy: -32.042
tors. eta vs tors. theta energy: -67.832
Dist. restrs. and SS energy: 0.000 (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: 440
Temperature: 1.250000
Total energy: -674.718911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.718911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.718911 (E_RNA)
where:
Base-Base interactions energy: -425.525
where: short stacking energy: -184.254
Base-Backbone interact. energy: -1.029
local terms energy: -248.164907
where:
bonds (distance) C4'-P energy: -58.052
bonds (distance) P-C4' energy: -57.995
flat angles C4'-P-C4' energy: -51.120
flat angles P-C4'-P energy: -36.990
tors. eta vs tors. theta energy: -44.008
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: 9, replica: 2
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -547.620369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.620369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.620369 (E_RNA)
where:
Base-Base interactions energy: -327.288
where: short stacking energy: -166.262
Base-Backbone interact. energy: -0.692
local terms energy: -219.640968
where:
bonds (distance) C4'-P energy: -56.477
bonds (distance) P-C4' energy: -57.239
flat angles C4'-P-C4' energy: -54.364
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (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: 440
Temperature: 1.350000
Total energy: -436.773886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.773886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.773886 (E_RNA)
where:
Base-Base interactions energy: -253.107
where: short stacking energy: -127.262
Base-Backbone interact. energy: -0.347
local terms energy: -183.319970
where:
bonds (distance) C4'-P energy: -62.311
bonds (distance) P-C4' energy: -44.333
flat angles C4'-P-C4' energy: -42.789
flat angles P-C4'-P energy: -21.050
tors. eta vs tors. theta energy: -12.836
Dist. restrs. and SS energy: 0.000 (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: 441
Temperature: 0.900000
Total energy: -1115.991497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.991497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.991497 (E_RNA)
where:
Base-Base interactions energy: -786.709
where: short stacking energy: -327.977
Base-Backbone interact. energy: -1.845
local terms energy: -327.437266
where:
bonds (distance) C4'-P energy: -53.773
bonds (distance) P-C4' energy: -54.752
flat angles C4'-P-C4' energy: -68.274
flat angles P-C4'-P energy: -56.024
tors. eta vs tors. theta energy: -94.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1069.058446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.058446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.058446 (E_RNA)
where:
Base-Base interactions energy: -745.059
where: short stacking energy: -337.007
Base-Backbone interact. energy: -0.579
local terms energy: -323.420705
where:
bonds (distance) C4'-P energy: -53.766
bonds (distance) P-C4' energy: -62.835
flat angles C4'-P-C4' energy: -68.038
flat angles P-C4'-P energy: -41.591
tors. eta vs tors. theta energy: -97.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1043.420897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.420897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.420897 (E_RNA)
where:
Base-Base interactions energy: -724.327
where: short stacking energy: -299.733
Base-Backbone interact. energy: -0.892
local terms energy: -318.201986
where:
bonds (distance) C4'-P energy: -59.327
bonds (distance) P-C4' energy: -61.088
flat angles C4'-P-C4' energy: -64.004
flat angles P-C4'-P energy: -48.588
tors. eta vs tors. theta energy: -85.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -967.913273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.913273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.913273 (E_RNA)
where:
Base-Base interactions energy: -658.885
where: short stacking energy: -287.048
Base-Backbone interact. energy: 1.771
local terms energy: -310.798581
where:
bonds (distance) C4'-P energy: -58.708
bonds (distance) P-C4' energy: -60.894
flat angles C4'-P-C4' energy: -62.575
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -87.896
Dist. restrs. and SS energy: 0.000 (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: 441
Temperature: 1.100000
Total energy: -879.870503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.870503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.870503 (E_RNA)
where:
Base-Base interactions energy: -602.681
where: short stacking energy: -255.261
Base-Backbone interact. energy: 2.382
local terms energy: -279.572162
where:
bonds (distance) C4'-P energy: -53.339
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -58.367
flat angles P-C4'-P energy: -41.433
tors. eta vs tors. theta energy: -70.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -846.432098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.432098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.432098 (E_RNA)
where:
Base-Base interactions energy: -563.888
where: short stacking energy: -242.217
Base-Backbone interact. energy: 0.020
local terms energy: -282.563886
where:
bonds (distance) C4'-P energy: -54.306
bonds (distance) P-C4' energy: -55.427
flat angles C4'-P-C4' energy: -62.286
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -67.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -813.508165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.508165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.508165 (E_RNA)
where:
Base-Base interactions energy: -551.834
where: short stacking energy: -233.993
Base-Backbone interact. energy: 0.111
local terms energy: -261.784424
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -58.958
flat angles C4'-P-C4' energy: -56.421
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -53.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -714.509926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.509926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.509926 (E_RNA)
where:
Base-Base interactions energy: -482.949
where: short stacking energy: -209.412
Base-Backbone interact. energy: 1.225
local terms energy: -232.785976
where:
bonds (distance) C4'-P energy: -47.954
bonds (distance) P-C4' energy: -45.699
flat angles C4'-P-C4' energy: -53.568
flat angles P-C4'-P energy: -31.411
tors. eta vs tors. theta energy: -54.154
Dist. restrs. and SS energy: 0.000 (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: 441
Temperature: 1.300000
Total energy: -541.966390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.966390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.966390 (E_RNA)
where:
Base-Base interactions energy: -330.229
where: short stacking energy: -149.059
Base-Backbone interact. energy: 0.150
local terms energy: -211.888119
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -50.823
flat angles C4'-P-C4' energy: -41.463
flat angles P-C4'-P energy: -36.611
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -450.140050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.140050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.140050 (E_RNA)
where:
Base-Base interactions energy: -282.556
where: short stacking energy: -151.090
Base-Backbone interact. energy: -0.745
local terms energy: -166.838697
where:
bonds (distance) C4'-P energy: -50.713
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -48.762
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (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: 442
Temperature: 0.900000
Total energy: -1111.782676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.782676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.782676 (E_RNA)
where:
Base-Base interactions energy: -790.607
where: short stacking energy: -317.807
Base-Backbone interact. energy: 1.680
local terms energy: -322.855659
where:
bonds (distance) C4'-P energy: -64.918
bonds (distance) P-C4' energy: -61.626
flat angles C4'-P-C4' energy: -67.845
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -86.017
Dist. restrs. and SS energy: 0.000 (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: 442
Temperature: 0.950000
Total energy: -1071.127071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.127071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.127071 (E_RNA)
where:
Base-Base interactions energy: -746.474
where: short stacking energy: -323.732
Base-Backbone interact. energy: -1.366
local terms energy: -323.287947
where:
bonds (distance) C4'-P energy: -53.892
bonds (distance) P-C4' energy: -65.882
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -46.363
tors. eta vs tors. theta energy: -91.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1027.586054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.586054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.586054 (E_RNA)
where:
Base-Base interactions energy: -708.030
where: short stacking energy: -301.757
Base-Backbone interact. energy: -2.032
local terms energy: -317.523307
where:
bonds (distance) C4'-P energy: -53.707
bonds (distance) P-C4' energy: -62.639
flat angles C4'-P-C4' energy: -65.084
flat angles P-C4'-P energy: -47.452
tors. eta vs tors. theta energy: -88.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -990.154878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.154878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.154878 (E_RNA)
where:
Base-Base interactions energy: -690.176
where: short stacking energy: -293.812
Base-Backbone interact. energy: -0.266
local terms energy: -299.712694
where:
bonds (distance) C4'-P energy: -47.674
bonds (distance) P-C4' energy: -56.741
flat angles C4'-P-C4' energy: -60.888
flat angles P-C4'-P energy: -43.872
tors. eta vs tors. theta energy: -90.538
Dist. restrs. and SS energy: 0.000 (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: 442
Temperature: 1.100000
Total energy: -855.019444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.019444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.019444 (E_RNA)
where:
Base-Base interactions energy: -579.681
where: short stacking energy: -262.549
Base-Backbone interact. energy: -0.591
local terms energy: -274.747310
where:
bonds (distance) C4'-P energy: -51.485
bonds (distance) P-C4' energy: -54.103
flat angles C4'-P-C4' energy: -60.870
flat angles P-C4'-P energy: -35.016
tors. eta vs tors. theta energy: -73.273
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: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -845.241137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.241137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.241137 (E_RNA)
where:
Base-Base interactions energy: -578.091
where: short stacking energy: -246.888
Base-Backbone interact. energy: 1.337
local terms energy: -268.486342
where:
bonds (distance) C4'-P energy: -52.765
bonds (distance) P-C4' energy: -54.837
flat angles C4'-P-C4' energy: -58.295
flat angles P-C4'-P energy: -41.346
tors. eta vs tors. theta energy: -61.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -799.140735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.140735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.140735 (E_RNA)
where:
Base-Base interactions energy: -535.316
where: short stacking energy: -225.171
Base-Backbone interact. energy: 0.810
local terms energy: -264.634233
where:
bonds (distance) C4'-P energy: -51.748
bonds (distance) P-C4' energy: -50.958
flat angles C4'-P-C4' energy: -58.633
flat angles P-C4'-P energy: -45.144
tors. eta vs tors. theta energy: -58.150
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: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -707.347897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.347897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.347897 (E_RNA)
where:
Base-Base interactions energy: -472.313
where: short stacking energy: -203.051
Base-Backbone interact. energy: 0.495
local terms energy: -235.529664
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -42.774
flat angles C4'-P-C4' energy: -60.173
flat angles P-C4'-P energy: -38.911
tors. eta vs tors. theta energy: -52.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -572.481551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.481551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.481551 (E_RNA)
where:
Base-Base interactions energy: -335.839
where: short stacking energy: -170.372
Base-Backbone interact. energy: -1.083
local terms energy: -235.559904
where:
bonds (distance) C4'-P energy: -62.356
bonds (distance) P-C4' energy: -54.779
flat angles C4'-P-C4' energy: -49.362
flat angles P-C4'-P energy: -32.932
tors. eta vs tors. theta energy: -36.130
Dist. restrs. and SS energy: 0.000 (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: 442
Temperature: 1.350000
Total energy: -518.569187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.569187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.569187 (E_RNA)
where:
Base-Base interactions energy: -323.158
where: short stacking energy: -158.891
Base-Backbone interact. energy: -1.333
local terms energy: -194.077908
where:
bonds (distance) C4'-P energy: -39.002
bonds (distance) P-C4' energy: -60.369
flat angles C4'-P-C4' energy: -43.048
flat angles P-C4'-P energy: -29.952
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (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: 443
Temperature: 0.900000
Total energy: -1104.755064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.755064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.755064 (E_RNA)
where:
Base-Base interactions energy: -781.158
where: short stacking energy: -315.551
Base-Backbone interact. energy: -2.798
local terms energy: -320.798775
where:
bonds (distance) C4'-P energy: -58.192
bonds (distance) P-C4' energy: -60.519
flat angles C4'-P-C4' energy: -63.935
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -86.613
Dist. restrs. and SS energy: 0.000 (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: 443
Temperature: 0.950000
Total energy: -1058.821278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.821278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.821278 (E_RNA)
where:
Base-Base interactions energy: -735.276
where: short stacking energy: -315.974
Base-Backbone interact. energy: -1.013
local terms energy: -322.532195
where:
bonds (distance) C4'-P energy: -50.175
bonds (distance) P-C4' energy: -63.332
flat angles C4'-P-C4' energy: -65.628
flat angles P-C4'-P energy: -48.057
tors. eta vs tors. theta energy: -95.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1029.642754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.642754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.642754 (E_RNA)
where:
Base-Base interactions energy: -714.288
where: short stacking energy: -311.601
Base-Backbone interact. energy: -1.428
local terms energy: -313.926431
where:
bonds (distance) C4'-P energy: -61.483
bonds (distance) P-C4' energy: -62.043
flat angles C4'-P-C4' energy: -60.672
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -93.241
Dist. restrs. and SS energy: 0.000 (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: 443
Temperature: 1.050000
Total energy: -997.114668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.114668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.114668 (E_RNA)
where:
Base-Base interactions energy: -672.929
where: short stacking energy: -312.459
Base-Backbone interact. energy: -0.771
local terms energy: -323.414857
where:
bonds (distance) C4'-P energy: -63.119
bonds (distance) P-C4' energy: -59.272
flat angles C4'-P-C4' energy: -62.640
flat angles P-C4'-P energy: -45.852
tors. eta vs tors. theta energy: -92.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -861.915433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.915433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.915433 (E_RNA)
where:
Base-Base interactions energy: -559.750
where: short stacking energy: -261.001
Base-Backbone interact. energy: -1.870
local terms energy: -300.295546
where:
bonds (distance) C4'-P energy: -56.863
bonds (distance) P-C4' energy: -60.491
flat angles C4'-P-C4' energy: -65.813
flat angles P-C4'-P energy: -40.992
tors. eta vs tors. theta energy: -76.137
Dist. restrs. and SS energy: 0.000 (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: 443
Temperature: 1.150000
Total energy: -827.900368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.900368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.900368 (E_RNA)
where:
Base-Base interactions energy: -569.856
where: short stacking energy: -255.223
Base-Backbone interact. energy: 0.928
local terms energy: -258.973046
where:
bonds (distance) C4'-P energy: -47.146
bonds (distance) P-C4' energy: -41.914
flat angles C4'-P-C4' energy: -62.312
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -66.596
Dist. restrs. and SS energy: 0.000 (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: 443
Temperature: 1.200000
Total energy: -801.542611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.542611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.542611 (E_RNA)
where:
Base-Base interactions energy: -527.104
where: short stacking energy: -212.930
Base-Backbone interact. energy: 3.868
local terms energy: -278.306628
where:
bonds (distance) C4'-P energy: -57.911
bonds (distance) P-C4' energy: -59.953
flat angles C4'-P-C4' energy: -61.671
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -56.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -700.529635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.529635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.529635 (E_RNA)
where:
Base-Base interactions energy: -463.730
where: short stacking energy: -202.043
Base-Backbone interact. energy: 2.155
local terms energy: -238.954642
where:
bonds (distance) C4'-P energy: -49.112
bonds (distance) P-C4' energy: -53.788
flat angles C4'-P-C4' energy: -61.187
flat angles P-C4'-P energy: -23.660
tors. eta vs tors. theta energy: -51.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -546.281840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.281840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.281840 (E_RNA)
where:
Base-Base interactions energy: -349.580
where: short stacking energy: -178.214
Base-Backbone interact. energy: -0.323
local terms energy: -196.379751
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -46.316
flat angles C4'-P-C4' energy: -48.902
flat angles P-C4'-P energy: -28.744
tors. eta vs tors. theta energy: -32.290
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: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -469.217586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.217586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.217586 (E_RNA)
where:
Base-Base interactions energy: -286.003
where: short stacking energy: -151.754
Base-Backbone interact. energy: -1.263
local terms energy: -181.951402
where:
bonds (distance) C4'-P energy: -49.205
bonds (distance) P-C4' energy: -45.997
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -28.818
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (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: 444
Temperature: 0.900000
Total energy: -1095.524655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.524655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.524655 (E_RNA)
where:
Base-Base interactions energy: -777.775
where: short stacking energy: -302.774
Base-Backbone interact. energy: -2.308
local terms energy: -315.441701
where:
bonds (distance) C4'-P energy: -61.393
bonds (distance) P-C4' energy: -56.015
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -44.566
tors. eta vs tors. theta energy: -86.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1057.657194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.657194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.657194 (E_RNA)
where:
Base-Base interactions energy: -733.877
where: short stacking energy: -321.914
Base-Backbone interact. energy: -1.293
local terms energy: -322.486962
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -59.325
flat angles C4'-P-C4' energy: -68.031
flat angles P-C4'-P energy: -48.606
tors. eta vs tors. theta energy: -94.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1044.164483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.164483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.164483 (E_RNA)
where:
Base-Base interactions energy: -727.788
where: short stacking energy: -324.336
Base-Backbone interact. energy: 1.250
local terms energy: -317.625867
where:
bonds (distance) C4'-P energy: -57.663
bonds (distance) P-C4' energy: -53.525
flat angles C4'-P-C4' energy: -61.891
flat angles P-C4'-P energy: -51.769
tors. eta vs tors. theta energy: -92.778
Dist. restrs. and SS energy: 0.000 (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: 444
Temperature: 1.050000
Total energy: -993.176327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.176327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.176327 (E_RNA)
where:
Base-Base interactions energy: -664.566
where: short stacking energy: -300.351
Base-Backbone interact. energy: -1.303
local terms energy: -327.307642
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -64.804
flat angles C4'-P-C4' energy: -65.425
flat angles P-C4'-P energy: -46.820
tors. eta vs tors. theta energy: -92.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -857.941021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.941021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.941021 (E_RNA)
where:
Base-Base interactions energy: -584.169
where: short stacking energy: -253.933
Base-Backbone interact. energy: -0.511
local terms energy: -273.260500
where:
bonds (distance) C4'-P energy: -63.869
bonds (distance) P-C4' energy: -44.142
flat angles C4'-P-C4' energy: -60.698
flat angles P-C4'-P energy: -48.082
tors. eta vs tors. theta energy: -56.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -833.231360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.231360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.231360 (E_RNA)
where:
Base-Base interactions energy: -581.167
where: short stacking energy: -242.036
Base-Backbone interact. energy: -2.677
local terms energy: -249.386609
where:
bonds (distance) C4'-P energy: -48.450
bonds (distance) P-C4' energy: -54.581
flat angles C4'-P-C4' energy: -60.110
flat angles P-C4'-P energy: -30.319
tors. eta vs tors. theta energy: -55.926
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: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -801.078832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.078832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.078832 (E_RNA)
where:
Base-Base interactions energy: -537.115
where: short stacking energy: -230.490
Base-Backbone interact. energy: -0.324
local terms energy: -263.640003
where:
bonds (distance) C4'-P energy: -61.286
bonds (distance) P-C4' energy: -48.682
flat angles C4'-P-C4' energy: -55.373
flat angles P-C4'-P energy: -46.710
tors. eta vs tors. theta energy: -51.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -717.266701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.266701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.266701 (E_RNA)
where:
Base-Base interactions energy: -463.789
where: short stacking energy: -206.126
Base-Backbone interact. energy: -0.952
local terms energy: -252.526210
where:
bonds (distance) C4'-P energy: -58.679
bonds (distance) P-C4' energy: -50.884
flat angles C4'-P-C4' energy: -53.890
flat angles P-C4'-P energy: -36.748
tors. eta vs tors. theta energy: -52.325
Dist. restrs. and SS energy: 0.000 (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: 444
Temperature: 1.300000
Total energy: -541.022343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.022343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.022343 (E_RNA)
where:
Base-Base interactions energy: -333.287
where: short stacking energy: -163.820
Base-Backbone interact. energy: -0.614
local terms energy: -207.121811
where:
bonds (distance) C4'-P energy: -49.563
bonds (distance) P-C4' energy: -48.434
flat angles C4'-P-C4' energy: -47.494
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -29.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -447.201164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.201164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.201164 (E_RNA)
where:
Base-Base interactions energy: -288.835
where: short stacking energy: -123.078
Base-Backbone interact. energy: -1.383
local terms energy: -156.983441
where:
bonds (distance) C4'-P energy: -39.904
bonds (distance) P-C4' energy: -48.068
flat angles C4'-P-C4' energy: -37.730
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -13.814
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: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1105.994159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.994159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.994159 (E_RNA)
where:
Base-Base interactions energy: -779.252
where: short stacking energy: -324.254
Base-Backbone interact. energy: -0.947
local terms energy: -325.795485
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -67.917
flat angles C4'-P-C4' energy: -71.536
flat angles P-C4'-P energy: -41.375
tors. eta vs tors. theta energy: -91.438
Dist. restrs. and SS energy: 0.000 (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: 445
Temperature: 0.950000
Total energy: -1053.099284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.099284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.099284 (E_RNA)
where:
Base-Base interactions energy: -733.180
where: short stacking energy: -322.829
Base-Backbone interact. energy: -0.671
local terms energy: -319.247964
where:
bonds (distance) C4'-P energy: -48.043
bonds (distance) P-C4' energy: -58.851
flat angles C4'-P-C4' energy: -68.673
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -100.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1065.793170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.793170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.793170 (E_RNA)
where:
Base-Base interactions energy: -738.057
where: short stacking energy: -310.741
Base-Backbone interact. energy: -3.288
local terms energy: -324.448451
where:
bonds (distance) C4'-P energy: -55.760
bonds (distance) P-C4' energy: -62.681
flat angles C4'-P-C4' energy: -70.560
flat angles P-C4'-P energy: -43.991
tors. eta vs tors. theta energy: -91.456
Dist. restrs. and SS energy: 0.000 (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: 445
Temperature: 1.050000
Total energy: -977.269368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.269368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.269368 (E_RNA)
where:
Base-Base interactions energy: -663.693
where: short stacking energy: -285.506
Base-Backbone interact. energy: -0.655
local terms energy: -312.921410
where:
bonds (distance) C4'-P energy: -58.970
bonds (distance) P-C4' energy: -58.564
flat angles C4'-P-C4' energy: -64.285
flat angles P-C4'-P energy: -41.974
tors. eta vs tors. theta energy: -89.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -868.324213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.324213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.324213 (E_RNA)
where:
Base-Base interactions energy: -571.510
where: short stacking energy: -253.540
Base-Backbone interact. energy: -1.810
local terms energy: -295.004705
where:
bonds (distance) C4'-P energy: -58.546
bonds (distance) P-C4' energy: -55.960
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -52.246
tors. eta vs tors. theta energy: -66.376
Dist. restrs. and SS energy: 0.000 (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: 445
Temperature: 1.150000
Total energy: -844.103781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.103781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.103781 (E_RNA)
where:
Base-Base interactions energy: -569.640
where: short stacking energy: -243.602
Base-Backbone interact. energy: -2.579
local terms energy: -271.884352
where:
bonds (distance) C4'-P energy: -56.958
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -61.202
flat angles P-C4'-P energy: -35.895
tors. eta vs tors. theta energy: -65.255
Dist. restrs. and SS energy: 0.000 (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: 445
Temperature: 1.200000
Total energy: -806.061579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.061579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.061579 (E_RNA)
where:
Base-Base interactions energy: -550.766
where: short stacking energy: -240.596
Base-Backbone interact. energy: -0.919
local terms energy: -254.376962
where:
bonds (distance) C4'-P energy: -51.294
bonds (distance) P-C4' energy: -52.055
flat angles C4'-P-C4' energy: -47.026
flat angles P-C4'-P energy: -37.289
tors. eta vs tors. theta energy: -66.712
Dist. restrs. and SS energy: 0.000 (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: 445
Temperature: 1.250000
Total energy: -701.775348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.775348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.775348 (E_RNA)
where:
Base-Base interactions energy: -464.807
where: short stacking energy: -196.149
Base-Backbone interact. energy: 3.458
local terms energy: -240.426350
where:
bonds (distance) C4'-P energy: -54.796
bonds (distance) P-C4' energy: -58.235
flat angles C4'-P-C4' energy: -53.329
flat angles P-C4'-P energy: -29.680
tors. eta vs tors. theta energy: -44.387
Dist. restrs. and SS energy: 0.000 (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: 445
Temperature: 1.300000
Total energy: -571.745272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.745272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.745272 (E_RNA)
where:
Base-Base interactions energy: -338.680
where: short stacking energy: -172.689
Base-Backbone interact. energy: 0.911
local terms energy: -233.975586
where:
bonds (distance) C4'-P energy: -51.355
bonds (distance) P-C4' energy: -53.863
flat angles C4'-P-C4' energy: -54.076
flat angles P-C4'-P energy: -40.254
tors. eta vs tors. theta energy: -34.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -468.537498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.537498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.537498 (E_RNA)
where:
Base-Base interactions energy: -268.550
where: short stacking energy: -119.893
Base-Backbone interact. energy: 3.736
local terms energy: -203.724374
where:
bonds (distance) C4'-P energy: -54.852
bonds (distance) P-C4' energy: -51.054
flat angles C4'-P-C4' energy: -53.193
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (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: 446
Temperature: 0.900000
Total energy: -1105.896575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.896575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.896575 (E_RNA)
where:
Base-Base interactions energy: -776.858
where: short stacking energy: -325.823
Base-Backbone interact. energy: -0.093
local terms energy: -328.946277
where:
bonds (distance) C4'-P energy: -57.661
bonds (distance) P-C4' energy: -63.879
flat angles C4'-P-C4' energy: -66.088
flat angles P-C4'-P energy: -47.530
tors. eta vs tors. theta energy: -93.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1050.589281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.589281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.589281 (E_RNA)
where:
Base-Base interactions energy: -725.941
where: short stacking energy: -336.345
Base-Backbone interact. energy: -0.623
local terms energy: -324.025866
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -66.040
flat angles C4'-P-C4' energy: -64.245
flat angles P-C4'-P energy: -47.474
tors. eta vs tors. theta energy: -95.980
Dist. restrs. and SS energy: 0.000 (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: 446
Temperature: 1.000000
Total energy: -1043.145824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.145824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.145824 (E_RNA)
where:
Base-Base interactions energy: -714.542
where: short stacking energy: -293.246
Base-Backbone interact. energy: 0.937
local terms energy: -329.541357
where:
bonds (distance) C4'-P energy: -55.104
bonds (distance) P-C4' energy: -64.256
flat angles C4'-P-C4' energy: -63.573
flat angles P-C4'-P energy: -51.987
tors. eta vs tors. theta energy: -94.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -986.366057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.366057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.366057 (E_RNA)
where:
Base-Base interactions energy: -684.874
where: short stacking energy: -304.741
Base-Backbone interact. energy: -1.405
local terms energy: -300.086866
where:
bonds (distance) C4'-P energy: -54.816
bonds (distance) P-C4' energy: -47.819
flat angles C4'-P-C4' energy: -71.028
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -92.918
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: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -864.870484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.870484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.870484 (E_RNA)
where:
Base-Base interactions energy: -589.623
where: short stacking energy: -272.480
Base-Backbone interact. energy: -2.744
local terms energy: -272.503903
where:
bonds (distance) C4'-P energy: -42.877
bonds (distance) P-C4' energy: -49.092
flat angles C4'-P-C4' energy: -69.221
flat angles P-C4'-P energy: -48.438
tors. eta vs tors. theta energy: -62.876
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: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -838.523715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.523715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.523715 (E_RNA)
where:
Base-Base interactions energy: -548.506
where: short stacking energy: -245.128
Base-Backbone interact. energy: -0.147
local terms energy: -289.870576
where:
bonds (distance) C4'-P energy: -57.232
bonds (distance) P-C4' energy: -62.401
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -71.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -840.273811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.273811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.273811 (E_RNA)
where:
Base-Base interactions energy: -573.564
where: short stacking energy: -250.388
Base-Backbone interact. energy: 0.227
local terms energy: -266.936434
where:
bonds (distance) C4'-P energy: -43.762
bonds (distance) P-C4' energy: -61.138
flat angles C4'-P-C4' energy: -57.617
flat angles P-C4'-P energy: -37.103
tors. eta vs tors. theta energy: -67.316
Dist. restrs. and SS energy: 0.000 (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: 446
Temperature: 1.250000
Total energy: -701.742088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.742088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.742088 (E_RNA)
where:
Base-Base interactions energy: -474.004
where: short stacking energy: -199.479
Base-Backbone interact. energy: -1.153
local terms energy: -226.584884
where:
bonds (distance) C4'-P energy: -52.136
bonds (distance) P-C4' energy: -53.114
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -46.041
Dist. restrs. and SS energy: 0.000 (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: 446
Temperature: 1.300000
Total energy: -524.442044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.442044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.442044 (E_RNA)
where:
Base-Base interactions energy: -334.210
where: short stacking energy: -164.622
Base-Backbone interact. energy: 1.163
local terms energy: -191.395209
where:
bonds (distance) C4'-P energy: -59.817
bonds (distance) P-C4' energy: -38.707
flat angles C4'-P-C4' energy: -44.718
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -461.457247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.457247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.457247 (E_RNA)
where:
Base-Base interactions energy: -262.409
where: short stacking energy: -134.773
Base-Backbone interact. energy: 3.493
local terms energy: -202.541752
where:
bonds (distance) C4'-P energy: -45.237
bonds (distance) P-C4' energy: -56.583
flat angles C4'-P-C4' energy: -57.964
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -16.795
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: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1101.503435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.503435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.503435 (E_RNA)
where:
Base-Base interactions energy: -774.379
where: short stacking energy: -316.874
Base-Backbone interact. energy: -1.503
local terms energy: -325.621481
where:
bonds (distance) C4'-P energy: -54.377
bonds (distance) P-C4' energy: -63.076
flat angles C4'-P-C4' energy: -67.318
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -93.710
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: 2, replica: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1076.485042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.485042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.485042 (E_RNA)
where:
Base-Base interactions energy: -758.274
where: short stacking energy: -321.558
Base-Backbone interact. energy: 0.077
local terms energy: -318.287388
where:
bonds (distance) C4'-P energy: -55.740
bonds (distance) P-C4' energy: -55.691
flat angles C4'-P-C4' energy: -64.474
flat angles P-C4'-P energy: -46.253
tors. eta vs tors. theta energy: -96.130
Dist. restrs. and SS energy: 0.000 (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: 447
Temperature: 1.000000
Total energy: -1055.542753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.542753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.542753 (E_RNA)
where:
Base-Base interactions energy: -740.546
where: short stacking energy: -331.594
Base-Backbone interact. energy: -0.823
local terms energy: -314.173114
where:
bonds (distance) C4'-P energy: -65.309
bonds (distance) P-C4' energy: -52.987
flat angles C4'-P-C4' energy: -61.314
flat angles P-C4'-P energy: -46.188
tors. eta vs tors. theta energy: -88.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -988.911918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.911918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.911918 (E_RNA)
where:
Base-Base interactions energy: -678.718
where: short stacking energy: -296.262
Base-Backbone interact. energy: 0.097
local terms energy: -310.291176
where:
bonds (distance) C4'-P energy: -53.824
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -63.117
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -94.723
Dist. restrs. and SS energy: 0.000 (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: 447
Temperature: 1.100000
Total energy: -859.863589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.863589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.863589 (E_RNA)
where:
Base-Base interactions energy: -577.932
where: short stacking energy: -254.443
Base-Backbone interact. energy: -1.356
local terms energy: -280.575631
where:
bonds (distance) C4'-P energy: -55.582
bonds (distance) P-C4' energy: -60.322
flat angles C4'-P-C4' energy: -61.509
flat angles P-C4'-P energy: -33.314
tors. eta vs tors. theta energy: -69.849
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: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -843.780348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.780348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.780348 (E_RNA)
where:
Base-Base interactions energy: -567.513
where: short stacking energy: -227.865
Base-Backbone interact. energy: -0.572
local terms energy: -275.695574
where:
bonds (distance) C4'-P energy: -55.983
bonds (distance) P-C4' energy: -58.483
flat angles C4'-P-C4' energy: -51.598
flat angles P-C4'-P energy: -45.964
tors. eta vs tors. theta energy: -63.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -815.438288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.438288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.438288 (E_RNA)
where:
Base-Base interactions energy: -554.839
where: short stacking energy: -246.219
Base-Backbone interact. energy: -1.279
local terms energy: -259.320463
where:
bonds (distance) C4'-P energy: -54.413
bonds (distance) P-C4' energy: -54.571
flat angles C4'-P-C4' energy: -47.179
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: -61.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -710.156310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.156310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.156310 (E_RNA)
where:
Base-Base interactions energy: -472.917
where: short stacking energy: -209.550
Base-Backbone interact. energy: 0.429
local terms energy: -237.668211
where:
bonds (distance) C4'-P energy: -53.930
bonds (distance) P-C4' energy: -51.973
flat angles C4'-P-C4' energy: -47.890
flat angles P-C4'-P energy: -33.954
tors. eta vs tors. theta energy: -49.921
Dist. restrs. and SS energy: 0.000 (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: 447
Temperature: 1.300000
Total energy: -505.215207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.215207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.215207 (E_RNA)
where:
Base-Base interactions energy: -328.658
where: short stacking energy: -163.409
Base-Backbone interact. energy: -0.484
local terms energy: -176.073403
where:
bonds (distance) C4'-P energy: -42.566
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -48.572
flat angles P-C4'-P energy: -30.694
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -442.470977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.470977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.470977 (E_RNA)
where:
Base-Base interactions energy: -266.282
where: short stacking energy: -116.598
Base-Backbone interact. energy: 4.021
local terms energy: -180.209985
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -57.217
flat angles C4'-P-C4' energy: -24.194
flat angles P-C4'-P energy: -31.217
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (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: 448
Temperature: 0.900000
Total energy: -1116.341400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.341400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.341400 (E_RNA)
where:
Base-Base interactions energy: -780.240
where: short stacking energy: -322.533
Base-Backbone interact. energy: -0.654
local terms energy: -335.447178
where:
bonds (distance) C4'-P energy: -55.566
bonds (distance) P-C4' energy: -65.108
flat angles C4'-P-C4' energy: -70.683
flat angles P-C4'-P energy: -56.254
tors. eta vs tors. theta energy: -87.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1078.030437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.030437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.030437 (E_RNA)
where:
Base-Base interactions energy: -748.382
where: short stacking energy: -325.135
Base-Backbone interact. energy: -1.170
local terms energy: -328.478565
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -57.450
flat angles C4'-P-C4' energy: -69.369
flat angles P-C4'-P energy: -46.391
tors. eta vs tors. theta energy: -94.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1036.644400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.644400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.644400 (E_RNA)
where:
Base-Base interactions energy: -713.983
where: short stacking energy: -311.574
Base-Backbone interact. energy: -0.481
local terms energy: -322.180186
where:
bonds (distance) C4'-P energy: -55.458
bonds (distance) P-C4' energy: -58.562
flat angles C4'-P-C4' energy: -64.667
flat angles P-C4'-P energy: -47.874
tors. eta vs tors. theta energy: -95.618
Dist. restrs. and SS energy: 0.000 (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: 448
Temperature: 1.050000
Total energy: -970.340367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.340367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.340367 (E_RNA)
where:
Base-Base interactions energy: -668.945
where: short stacking energy: -274.224
Base-Backbone interact. energy: 0.816
local terms energy: -302.211097
where:
bonds (distance) C4'-P energy: -54.850
bonds (distance) P-C4' energy: -54.021
flat angles C4'-P-C4' energy: -63.539
flat angles P-C4'-P energy: -46.854
tors. eta vs tors. theta energy: -82.948
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: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -884.876997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.876997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.876997 (E_RNA)
where:
Base-Base interactions energy: -628.936
where: short stacking energy: -254.825
Base-Backbone interact. energy: 2.748
local terms energy: -258.688793
where:
bonds (distance) C4'-P energy: -55.357
bonds (distance) P-C4' energy: -52.746
flat angles C4'-P-C4' energy: -62.738
flat angles P-C4'-P energy: -33.656
tors. eta vs tors. theta energy: -54.192
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: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -831.933699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.933699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.933699 (E_RNA)
where:
Base-Base interactions energy: -573.561
where: short stacking energy: -230.666
Base-Backbone interact. energy: -1.135
local terms energy: -257.237728
where:
bonds (distance) C4'-P energy: -54.851
bonds (distance) P-C4' energy: -55.920
flat angles C4'-P-C4' energy: -56.502
flat angles P-C4'-P energy: -34.335
tors. eta vs tors. theta energy: -55.630
Dist. restrs. and SS energy: 0.000 (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: 448
Temperature: 1.200000
Total energy: -794.590819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.590819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.590819 (E_RNA)
where:
Base-Base interactions energy: -521.361
where: short stacking energy: -220.212
Base-Backbone interact. energy: 2.468
local terms energy: -275.697484
where:
bonds (distance) C4'-P energy: -58.703
bonds (distance) P-C4' energy: -64.821
flat angles C4'-P-C4' energy: -53.236
flat angles P-C4'-P energy: -35.756
tors. eta vs tors. theta energy: -63.181
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: 8, replica: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -704.259538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.259538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.259538 (E_RNA)
where:
Base-Base interactions energy: -456.358
where: short stacking energy: -208.952
Base-Backbone interact. energy: -0.506
local terms energy: -247.394685
where:
bonds (distance) C4'-P energy: -53.183
bonds (distance) P-C4' energy: -57.607
flat angles C4'-P-C4' energy: -55.980
flat angles P-C4'-P energy: -32.222
tors. eta vs tors. theta energy: -48.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -466.002827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.002827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.002827 (E_RNA)
where:
Base-Base interactions energy: -272.973
where: short stacking energy: -152.360
Base-Backbone interact. energy: -1.128
local terms energy: -191.901178
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -56.632
flat angles C4'-P-C4' energy: -53.943
flat angles P-C4'-P energy: -31.301
tors. eta vs tors. theta energy: -1.226
Dist. restrs. and SS energy: 0.000 (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: 448
Temperature: 1.350000
Total energy: -403.678357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.678357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.678357 (E_RNA)
where:
Base-Base interactions energy: -224.578
where: short stacking energy: -109.862
Base-Backbone interact. energy: -1.041
local terms energy: -178.058695
where:
bonds (distance) C4'-P energy: -56.108
bonds (distance) P-C4' energy: -56.206
flat angles C4'-P-C4' energy: -38.116
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -9.093
Dist. restrs. and SS energy: 0.000 (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: 449
Temperature: 0.900000
Total energy: -1106.982823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.982823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.982823 (E_RNA)
where:
Base-Base interactions energy: -789.660
where: short stacking energy: -331.787
Base-Backbone interact. energy: -1.697
local terms energy: -315.625796
where:
bonds (distance) C4'-P energy: -58.423
bonds (distance) P-C4' energy: -56.950
flat angles C4'-P-C4' energy: -68.134
flat angles P-C4'-P energy: -45.661
tors. eta vs tors. theta energy: -86.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1067.240862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.240862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.240862 (E_RNA)
where:
Base-Base interactions energy: -746.628
where: short stacking energy: -326.826
Base-Backbone interact. energy: -1.399
local terms energy: -319.213421
where:
bonds (distance) C4'-P energy: -52.294
bonds (distance) P-C4' energy: -58.319
flat angles C4'-P-C4' energy: -66.695
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -96.397
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: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1029.656311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.656311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.656311 (E_RNA)
where:
Base-Base interactions energy: -733.702
where: short stacking energy: -313.787
Base-Backbone interact. energy: 0.556
local terms energy: -296.510058
where:
bonds (distance) C4'-P energy: -48.635
bonds (distance) P-C4' energy: -53.619
flat angles C4'-P-C4' energy: -59.973
flat angles P-C4'-P energy: -36.862
tors. eta vs tors. theta energy: -97.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -963.963466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.963466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.963466 (E_RNA)
where:
Base-Base interactions energy: -656.102
where: short stacking energy: -280.065
Base-Backbone interact. energy: -0.310
local terms energy: -307.552150
where:
bonds (distance) C4'-P energy: -53.767
bonds (distance) P-C4' energy: -61.226
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -41.654
tors. eta vs tors. theta energy: -89.070
Dist. restrs. and SS energy: 0.000 (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: 449
Temperature: 1.100000
Total energy: -884.918895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.918895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.918895 (E_RNA)
where:
Base-Base interactions energy: -609.860
where: short stacking energy: -248.028
Base-Backbone interact. energy: -0.272
local terms energy: -274.787395
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -57.798
flat angles C4'-P-C4' energy: -58.042
flat angles P-C4'-P energy: -45.658
tors. eta vs tors. theta energy: -61.704
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: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -865.717579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.717579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.717579 (E_RNA)
where:
Base-Base interactions energy: -606.149
where: short stacking energy: -252.741
Base-Backbone interact. energy: 4.316
local terms energy: -263.884091
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -56.362
flat angles C4'-P-C4' energy: -59.974
flat angles P-C4'-P energy: -33.817
tors. eta vs tors. theta energy: -75.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -801.401948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.401948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.401948 (E_RNA)
where:
Base-Base interactions energy: -537.415
where: short stacking energy: -226.114
Base-Backbone interact. energy: 1.051
local terms energy: -265.037984
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -52.394
flat angles C4'-P-C4' energy: -62.466
flat angles P-C4'-P energy: -39.870
tors. eta vs tors. theta energy: -60.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -719.205456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.205456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.205456 (E_RNA)
where:
Base-Base interactions energy: -487.789
where: short stacking energy: -212.891
Base-Backbone interact. energy: 0.240
local terms energy: -231.656567
where:
bonds (distance) C4'-P energy: -44.634
bonds (distance) P-C4' energy: -46.263
flat angles C4'-P-C4' energy: -56.269
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -48.175
Dist. restrs. and SS energy: 0.000 (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: 449
Temperature: 1.300000
Total energy: -518.093623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.093623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.093623 (E_RNA)
where:
Base-Base interactions energy: -326.399
where: short stacking energy: -145.887
Base-Backbone interact. energy: -0.532
local terms energy: -191.162378
where:
bonds (distance) C4'-P energy: -37.363
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -56.128
flat angles P-C4'-P energy: -30.329
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -458.172926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.172926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.172926 (E_RNA)
where:
Base-Base interactions energy: -258.925
where: short stacking energy: -138.979
Base-Backbone interact. energy: 1.298
local terms energy: -200.546025
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -53.147
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -27.175
tors. eta vs tors. theta energy: -24.892
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: 1, replica: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1111.684426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.684426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.684426 (E_RNA)
where:
Base-Base interactions energy: -784.593
where: short stacking energy: -337.183
Base-Backbone interact. energy: -1.710
local terms energy: -325.382041
where:
bonds (distance) C4'-P energy: -49.388
bonds (distance) P-C4' energy: -63.666
flat angles C4'-P-C4' energy: -73.279
flat angles P-C4'-P energy: -51.398
tors. eta vs tors. theta energy: -87.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1048.917162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.917162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.917162 (E_RNA)
where:
Base-Base interactions energy: -747.903
where: short stacking energy: -304.893
Base-Backbone interact. energy: -2.864
local terms energy: -298.150376
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -56.037
flat angles C4'-P-C4' energy: -56.725
flat angles P-C4'-P energy: -48.690
tors. eta vs tors. theta energy: -90.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1029.857883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.857883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.857883 (E_RNA)
where:
Base-Base interactions energy: -698.444
where: short stacking energy: -315.252
Base-Backbone interact. energy: -0.014
local terms energy: -331.399688
where:
bonds (distance) C4'-P energy: -54.611
bonds (distance) P-C4' energy: -61.048
flat angles C4'-P-C4' energy: -68.981
flat angles P-C4'-P energy: -49.671
tors. eta vs tors. theta energy: -97.089
Dist. restrs. and SS energy: 0.000 (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: 450
Temperature: 1.050000
Total energy: -990.897007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.897007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.897007 (E_RNA)
where:
Base-Base interactions energy: -698.952
where: short stacking energy: -303.064
Base-Backbone interact. energy: -0.383
local terms energy: -291.562173
where:
bonds (distance) C4'-P energy: -44.494
bonds (distance) P-C4' energy: -58.794
flat angles C4'-P-C4' energy: -64.512
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -87.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -907.812503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.812503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.812503 (E_RNA)
where:
Base-Base interactions energy: -626.791
where: short stacking energy: -287.062
Base-Backbone interact. energy: -1.288
local terms energy: -279.733295
where:
bonds (distance) C4'-P energy: -42.647
bonds (distance) P-C4' energy: -50.811
flat angles C4'-P-C4' energy: -57.433
flat angles P-C4'-P energy: -47.658
tors. eta vs tors. theta energy: -81.185
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: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -848.093491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.093491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.093491 (E_RNA)
where:
Base-Base interactions energy: -589.009
where: short stacking energy: -253.527
Base-Backbone interact. energy: -3.030
local terms energy: -256.054160
where:
bonds (distance) C4'-P energy: -36.766
bonds (distance) P-C4' energy: -51.443
flat angles C4'-P-C4' energy: -62.811
flat angles P-C4'-P energy: -42.877
tors. eta vs tors. theta energy: -62.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -773.660706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.660706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.660706 (E_RNA)
where:
Base-Base interactions energy: -523.728
where: short stacking energy: -233.439
Base-Backbone interact. energy: -1.135
local terms energy: -248.798247
where:
bonds (distance) C4'-P energy: -43.963
bonds (distance) P-C4' energy: -62.183
flat angles C4'-P-C4' energy: -57.667
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -58.223
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: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -708.352389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.352389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.352389 (E_RNA)
where:
Base-Base interactions energy: -461.909
where: short stacking energy: -209.959
Base-Backbone interact. energy: -1.277
local terms energy: -245.166015
where:
bonds (distance) C4'-P energy: -63.605
bonds (distance) P-C4' energy: -49.884
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -30.697
tors. eta vs tors. theta energy: -44.907
Dist. restrs. and SS energy: 0.000 (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: 450
Temperature: 1.300000
Total energy: -477.471840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.471840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.471840 (E_RNA)
where:
Base-Base interactions energy: -279.612
where: short stacking energy: -149.101
Base-Backbone interact. energy: -0.401
local terms energy: -197.459224
where:
bonds (distance) C4'-P energy: -45.882
bonds (distance) P-C4' energy: -57.452
flat angles C4'-P-C4' energy: -43.015
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -23.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -476.485884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.485884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.485884 (E_RNA)
where:
Base-Base interactions energy: -281.800
where: short stacking energy: -132.264
Base-Backbone interact. energy: 1.016
local terms energy: -195.702072
where:
bonds (distance) C4'-P energy: -44.334
bonds (distance) P-C4' energy: -48.061
flat angles C4'-P-C4' energy: -52.867
flat angles P-C4'-P energy: -33.318
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (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: 451
Temperature: 0.900000
Total energy: -1099.413650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.413650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.413650 (E_RNA)
where:
Base-Base interactions energy: -774.290
where: short stacking energy: -313.205
Base-Backbone interact. energy: -2.059
local terms energy: -323.064718
where:
bonds (distance) C4'-P energy: -60.016
bonds (distance) P-C4' energy: -62.003
flat angles C4'-P-C4' energy: -65.096
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -89.718
Dist. restrs. and SS energy: 0.000 (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: -1059.132013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.132013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.132013 (E_RNA)
where:
Base-Base interactions energy: -732.637
where: short stacking energy: -302.307
Base-Backbone interact. energy: -0.502
local terms energy: -325.993205
where:
bonds (distance) C4'-P energy: -59.425
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -65.019
flat angles P-C4'-P energy: -49.245
tors. eta vs tors. theta energy: -96.937
Dist. restrs. and SS energy: 0.000 (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: 451
Temperature: 1.000000
Total energy: -1039.631859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.631859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.631859 (E_RNA)
where:
Base-Base interactions energy: -717.755
where: short stacking energy: -310.078
Base-Backbone interact. energy: -3.447
local terms energy: -318.429923
where:
bonds (distance) C4'-P energy: -48.452
bonds (distance) P-C4' energy: -63.160
flat angles C4'-P-C4' energy: -67.251
flat angles P-C4'-P energy: -50.123
tors. eta vs tors. theta energy: -89.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -996.070187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.070187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.070187 (E_RNA)
where:
Base-Base interactions energy: -681.074
where: short stacking energy: -301.406
Base-Backbone interact. energy: -0.248
local terms energy: -314.747726
where:
bonds (distance) C4'-P energy: -49.204
bonds (distance) P-C4' energy: -62.040
flat angles C4'-P-C4' energy: -60.713
flat angles P-C4'-P energy: -49.374
tors. eta vs tors. theta energy: -93.417
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: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -901.316565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.316565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.316565 (E_RNA)
where:
Base-Base interactions energy: -608.814
where: short stacking energy: -259.402
Base-Backbone interact. energy: -0.768
local terms energy: -291.734769
where:
bonds (distance) C4'-P energy: -48.411
bonds (distance) P-C4' energy: -64.733
flat angles C4'-P-C4' energy: -65.917
flat angles P-C4'-P energy: -39.388
tors. eta vs tors. theta energy: -73.286
Dist. restrs. and SS energy: 0.000 (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: 451
Temperature: 1.150000
Total energy: -895.730739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.730739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.730739 (E_RNA)
where:
Base-Base interactions energy: -630.974
where: short stacking energy: -254.101
Base-Backbone interact. energy: -1.315
local terms energy: -263.442289
where:
bonds (distance) C4'-P energy: -60.447
bonds (distance) P-C4' energy: -46.046
flat angles C4'-P-C4' energy: -57.553
flat angles P-C4'-P energy: -33.253
tors. eta vs tors. theta energy: -66.144
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: 7, replica: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -782.972471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.972471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.972471 (E_RNA)
where:
Base-Base interactions energy: -518.958
where: short stacking energy: -206.211
Base-Backbone interact. energy: -0.646
local terms energy: -263.367959
where:
bonds (distance) C4'-P energy: -57.030
bonds (distance) P-C4' energy: -58.188
flat angles C4'-P-C4' energy: -53.985
flat angles P-C4'-P energy: -35.071
tors. eta vs tors. theta energy: -59.093
Dist. restrs. and SS energy: 0.000 (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: 451
Temperature: 1.250000
Total energy: -686.954263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.954263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.954263 (E_RNA)
where:
Base-Base interactions energy: -455.102
where: short stacking energy: -196.757
Base-Backbone interact. energy: -1.325
local terms energy: -230.526617
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -45.835
flat angles C4'-P-C4' energy: -54.684
flat angles P-C4'-P energy: -31.493
tors. eta vs tors. theta energy: -40.067
Dist. restrs. and SS energy: 0.000 (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: 451
Temperature: 1.300000
Total energy: -482.869197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.869197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.869197 (E_RNA)
where:
Base-Base interactions energy: -263.246
where: short stacking energy: -130.193
Base-Backbone interact. energy: -0.228
local terms energy: -219.394629
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -64.111
flat angles C4'-P-C4' energy: -48.807
flat angles P-C4'-P energy: -29.970
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -447.473302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.473302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.473302 (E_RNA)
where:
Base-Base interactions energy: -242.672
where: short stacking energy: -121.475
Base-Backbone interact. energy: 0.641
local terms energy: -205.442790
where:
bonds (distance) C4'-P energy: -49.325
bonds (distance) P-C4' energy: -65.733
flat angles C4'-P-C4' energy: -41.937
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1118.579258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.579258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.579258 (E_RNA)
where:
Base-Base interactions energy: -795.186
where: short stacking energy: -325.969
Base-Backbone interact. energy: -1.892
local terms energy: -321.501230
where:
bonds (distance) C4'-P energy: -56.163
bonds (distance) P-C4' energy: -61.740
flat angles C4'-P-C4' energy: -72.972
flat angles P-C4'-P energy: -40.815
tors. eta vs tors. theta energy: -89.812
Dist. restrs. and SS energy: 0.000 (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: 452
Temperature: 0.950000
Total energy: -1081.646190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.646190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.646190 (E_RNA)
where:
Base-Base interactions energy: -747.014
where: short stacking energy: -324.673
Base-Backbone interact. energy: -0.517
local terms energy: -334.114956
where:
bonds (distance) C4'-P energy: -59.395
bonds (distance) P-C4' energy: -62.204
flat angles C4'-P-C4' energy: -67.944
flat angles P-C4'-P energy: -46.302
tors. eta vs tors. theta energy: -98.270
Dist. restrs. and SS energy: 0.000 (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: 452
Temperature: 1.000000
Total energy: -1053.705517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.705517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.705517 (E_RNA)
where:
Base-Base interactions energy: -728.249
where: short stacking energy: -300.796
Base-Backbone interact. energy: -1.606
local terms energy: -323.850427
where:
bonds (distance) C4'-P energy: -61.048
bonds (distance) P-C4' energy: -59.695
flat angles C4'-P-C4' energy: -66.909
flat angles P-C4'-P energy: -44.617
tors. eta vs tors. theta energy: -91.581
Dist. restrs. and SS energy: 0.000 (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: 452
Temperature: 1.050000
Total energy: -1002.407760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.407760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.407760 (E_RNA)
where:
Base-Base interactions energy: -694.975
where: short stacking energy: -312.350
Base-Backbone interact. energy: -0.456
local terms energy: -306.977202
where:
bonds (distance) C4'-P energy: -42.708
bonds (distance) P-C4' energy: -59.304
flat angles C4'-P-C4' energy: -68.669
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -91.694
Dist. restrs. and SS energy: 0.000 (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: 452
Temperature: 1.100000
Total energy: -903.656543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.656543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.656543 (E_RNA)
where:
Base-Base interactions energy: -622.393
where: short stacking energy: -271.973
Base-Backbone interact. energy: 0.313
local terms energy: -281.576908
where:
bonds (distance) C4'-P energy: -49.020
bonds (distance) P-C4' energy: -54.650
flat angles C4'-P-C4' energy: -65.995
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: -79.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -836.063506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.063506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.063506 (E_RNA)
where:
Base-Base interactions energy: -563.983
where: short stacking energy: -251.629
Base-Backbone interact. energy: -0.491
local terms energy: -271.589610
where:
bonds (distance) C4'-P energy: -55.407
bonds (distance) P-C4' energy: -55.784
flat angles C4'-P-C4' energy: -57.363
flat angles P-C4'-P energy: -39.001
tors. eta vs tors. theta energy: -64.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -776.319223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.319223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.319223 (E_RNA)
where:
Base-Base interactions energy: -543.027
where: short stacking energy: -229.216
Base-Backbone interact. energy: -0.834
local terms energy: -232.457596
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -54.127
flat angles P-C4'-P energy: -39.798
tors. eta vs tors. theta energy: -48.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -648.770122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.770122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.770122 (E_RNA)
where:
Base-Base interactions energy: -438.862
where: short stacking energy: -191.029
Base-Backbone interact. energy: 0.562
local terms energy: -210.469474
where:
bonds (distance) C4'-P energy: -58.859
bonds (distance) P-C4' energy: -40.926
flat angles C4'-P-C4' energy: -46.982
flat angles P-C4'-P energy: -30.819
tors. eta vs tors. theta energy: -32.883
Dist. restrs. and SS energy: 0.000 (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: 452
Temperature: 1.300000
Total energy: -483.191968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.191968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.191968 (E_RNA)
where:
Base-Base interactions energy: -290.098
where: short stacking energy: -146.977
Base-Backbone interact. energy: -0.223
local terms energy: -192.871887
where:
bonds (distance) C4'-P energy: -45.263
bonds (distance) P-C4' energy: -55.880
flat angles C4'-P-C4' energy: -46.056
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -24.362
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: 10, replica: 2
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -438.297019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.297019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.297019 (E_RNA)
where:
Base-Base interactions energy: -266.806
where: short stacking energy: -125.882
Base-Backbone interact. energy: -1.074
local terms energy: -170.417120
where:
bonds (distance) C4'-P energy: -46.685
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -41.745
flat angles P-C4'-P energy: -21.662
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: 1, replica: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1089.996075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.996075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.996075 (E_RNA)
where:
Base-Base interactions energy: -779.748
where: short stacking energy: -309.698
Base-Backbone interact. energy: 0.230
local terms energy: -310.478128
where:
bonds (distance) C4'-P energy: -50.435
bonds (distance) P-C4' energy: -58.440
flat angles C4'-P-C4' energy: -71.589
flat angles P-C4'-P energy: -46.279
tors. eta vs tors. theta energy: -83.736
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: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1071.609911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.609911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.609911 (E_RNA)
where:
Base-Base interactions energy: -736.597
where: short stacking energy: -330.294
Base-Backbone interact. energy: -2.062
local terms energy: -332.951568
where:
bonds (distance) C4'-P energy: -56.961
bonds (distance) P-C4' energy: -62.072
flat angles C4'-P-C4' energy: -71.484
flat angles P-C4'-P energy: -46.691
tors. eta vs tors. theta energy: -95.744
Dist. restrs. and SS energy: 0.000 (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: 453
Temperature: 1.000000
Total energy: -1041.763551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.763551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.763551 (E_RNA)
where:
Base-Base interactions energy: -724.700
where: short stacking energy: -319.061
Base-Backbone interact. energy: 0.720
local terms energy: -317.783604
where:
bonds (distance) C4'-P energy: -57.389
bonds (distance) P-C4' energy: -57.968
flat angles C4'-P-C4' energy: -64.763
flat angles P-C4'-P energy: -47.845
tors. eta vs tors. theta energy: -89.818
Dist. restrs. and SS energy: 0.000 (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: 453
Temperature: 1.050000
Total energy: -1003.130875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.130875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.130875 (E_RNA)
where:
Base-Base interactions energy: -685.339
where: short stacking energy: -307.625
Base-Backbone interact. energy: -0.580
local terms energy: -317.211893
where:
bonds (distance) C4'-P energy: -58.911
bonds (distance) P-C4' energy: -52.758
flat angles C4'-P-C4' energy: -65.216
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -93.400
Dist. restrs. and SS energy: 0.000 (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: 453
Temperature: 1.100000
Total energy: -892.413008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.413008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.413008 (E_RNA)
where:
Base-Base interactions energy: -601.516
where: short stacking energy: -267.469
Base-Backbone interact. energy: -0.969
local terms energy: -289.928048
where:
bonds (distance) C4'-P energy: -48.043
bonds (distance) P-C4' energy: -62.076
flat angles C4'-P-C4' energy: -64.995
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -75.594
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: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -825.149139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.149139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.149139 (E_RNA)
where:
Base-Base interactions energy: -563.859
where: short stacking energy: -241.412
Base-Backbone interact. energy: -0.088
local terms energy: -261.201434
where:
bonds (distance) C4'-P energy: -56.079
bonds (distance) P-C4' energy: -55.574
flat angles C4'-P-C4' energy: -58.236
flat angles P-C4'-P energy: -24.468
tors. eta vs tors. theta energy: -66.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -776.989166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.989166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.989166 (E_RNA)
where:
Base-Base interactions energy: -526.981
where: short stacking energy: -219.104
Base-Backbone interact. energy: 1.043
local terms energy: -251.050494
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -53.276
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -61.738
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: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -668.646549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.646549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.646549 (E_RNA)
where:
Base-Base interactions energy: -452.067
where: short stacking energy: -209.064
Base-Backbone interact. energy: -0.874
local terms energy: -215.705384
where:
bonds (distance) C4'-P energy: -48.228
bonds (distance) P-C4' energy: -43.143
flat angles C4'-P-C4' energy: -50.681
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -36.777
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: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -487.448647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.448647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.448647 (E_RNA)
where:
Base-Base interactions energy: -280.925
where: short stacking energy: -143.214
Base-Backbone interact. energy: 2.437
local terms energy: -208.960250
where:
bonds (distance) C4'-P energy: -46.685
bonds (distance) P-C4' energy: -62.050
flat angles C4'-P-C4' energy: -59.601
flat angles P-C4'-P energy: -31.831
tors. eta vs tors. theta energy: -8.794
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: 10, replica: 2
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -458.028569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.028569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.028569 (E_RNA)
where:
Base-Base interactions energy: -279.376
where: short stacking energy: -151.877
Base-Backbone interact. energy: 1.645
local terms energy: -180.297400
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -47.545
flat angles C4'-P-C4' energy: -41.579
flat angles P-C4'-P energy: -34.930
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (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: 454
Temperature: 0.900000
Total energy: -1100.194117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.194117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.194117 (E_RNA)
where:
Base-Base interactions energy: -784.157
where: short stacking energy: -305.835
Base-Backbone interact. energy: -2.769
local terms energy: -313.268469
where:
bonds (distance) C4'-P energy: -64.612
bonds (distance) P-C4' energy: -61.262
flat angles C4'-P-C4' energy: -59.762
flat angles P-C4'-P energy: -48.502
tors. eta vs tors. theta energy: -79.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1053.932139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.932139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.932139 (E_RNA)
where:
Base-Base interactions energy: -729.298
where: short stacking energy: -299.659
Base-Backbone interact. energy: -0.778
local terms energy: -323.855480
where:
bonds (distance) C4'-P energy: -56.378
bonds (distance) P-C4' energy: -66.030
flat angles C4'-P-C4' energy: -70.268
flat angles P-C4'-P energy: -41.137
tors. eta vs tors. theta energy: -90.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1042.964379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.964379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.964379 (E_RNA)
where:
Base-Base interactions energy: -724.319
where: short stacking energy: -326.672
Base-Backbone interact. energy: 1.155
local terms energy: -319.800619
where:
bonds (distance) C4'-P energy: -54.548
bonds (distance) P-C4' energy: -58.954
flat angles C4'-P-C4' energy: -58.982
flat angles P-C4'-P energy: -51.712
tors. eta vs tors. theta energy: -95.604
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: 4, replica: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1015.543466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.543466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.543466 (E_RNA)
where:
Base-Base interactions energy: -699.862
where: short stacking energy: -300.273
Base-Backbone interact. energy: -0.833
local terms energy: -314.848834
where:
bonds (distance) C4'-P energy: -58.046
bonds (distance) P-C4' energy: -58.861
flat angles C4'-P-C4' energy: -64.099
flat angles P-C4'-P energy: -42.448
tors. eta vs tors. theta energy: -91.395
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: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -840.640241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.640241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.640241 (E_RNA)
where:
Base-Base interactions energy: -578.579
where: short stacking energy: -253.683
Base-Backbone interact. energy: -1.762
local terms energy: -260.299284
where:
bonds (distance) C4'-P energy: -48.929
bonds (distance) P-C4' energy: -53.526
flat angles C4'-P-C4' energy: -53.471
flat angles P-C4'-P energy: -37.409
tors. eta vs tors. theta energy: -66.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -872.260724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.260724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.260724 (E_RNA)
where:
Base-Base interactions energy: -588.177
where: short stacking energy: -251.039
Base-Backbone interact. energy: 2.541
local terms energy: -286.624911
where:
bonds (distance) C4'-P energy: -54.046
bonds (distance) P-C4' energy: -56.190
flat angles C4'-P-C4' energy: -66.712
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -68.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -801.098893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.098893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.098893 (E_RNA)
where:
Base-Base interactions energy: -535.972
where: short stacking energy: -231.821
Base-Backbone interact. energy: -0.510
local terms energy: -264.616964
where:
bonds (distance) C4'-P energy: -51.705
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -53.142
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -61.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -691.514373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.514373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.514373 (E_RNA)
where:
Base-Base interactions energy: -455.534
where: short stacking energy: -205.019
Base-Backbone interact. energy: -0.612
local terms energy: -235.368996
where:
bonds (distance) C4'-P energy: -49.646
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -53.401
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -44.765
Dist. restrs. and SS energy: 0.000 (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: 454
Temperature: 1.300000
Total energy: -486.149771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.149771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.149771 (E_RNA)
where:
Base-Base interactions energy: -277.902
where: short stacking energy: -134.741
Base-Backbone interact. energy: 2.609
local terms energy: -210.857356
where:
bonds (distance) C4'-P energy: -35.855
bonds (distance) P-C4' energy: -58.129
flat angles C4'-P-C4' energy: -63.017
flat angles P-C4'-P energy: -29.265
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (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: 454
Temperature: 1.350000
Total energy: -447.805236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.805236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.805236 (E_RNA)
where:
Base-Base interactions energy: -255.101
where: short stacking energy: -107.949
Base-Backbone interact. energy: 1.877
local terms energy: -194.580983
where:
bonds (distance) C4'-P energy: -50.726
bonds (distance) P-C4' energy: -48.954
flat angles C4'-P-C4' energy: -52.879
flat angles P-C4'-P energy: -35.437
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (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: 455
Temperature: 0.900000
Total energy: -1089.440925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.440925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.440925 (E_RNA)
where:
Base-Base interactions energy: -774.337
where: short stacking energy: -322.055
Base-Backbone interact. energy: -2.080
local terms energy: -313.024357
where:
bonds (distance) C4'-P energy: -65.498
bonds (distance) P-C4' energy: -50.728
flat angles C4'-P-C4' energy: -67.971
flat angles P-C4'-P energy: -41.869
tors. eta vs tors. theta energy: -86.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1055.860393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.860393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.860393 (E_RNA)
where:
Base-Base interactions energy: -731.593
where: short stacking energy: -315.651
Base-Backbone interact. energy: -1.092
local terms energy: -323.175395
where:
bonds (distance) C4'-P energy: -59.035
bonds (distance) P-C4' energy: -57.817
flat angles C4'-P-C4' energy: -62.820
flat angles P-C4'-P energy: -47.389
tors. eta vs tors. theta energy: -96.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1044.736334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.736334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.736334 (E_RNA)
where:
Base-Base interactions energy: -736.596
where: short stacking energy: -328.749
Base-Backbone interact. energy: -1.310
local terms energy: -306.829724
where:
bonds (distance) C4'-P energy: -47.084
bonds (distance) P-C4' energy: -51.813
flat angles C4'-P-C4' energy: -66.065
flat angles P-C4'-P energy: -49.417
tors. eta vs tors. theta energy: -92.452
Dist. restrs. and SS energy: 0.000 (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: 455
Temperature: 1.050000
Total energy: -1002.889148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.889148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.889148 (E_RNA)
where:
Base-Base interactions energy: -696.018
where: short stacking energy: -288.176
Base-Backbone interact. energy: -1.056
local terms energy: -305.815458
where:
bonds (distance) C4'-P energy: -49.587
bonds (distance) P-C4' energy: -56.237
flat angles C4'-P-C4' energy: -64.236
flat angles P-C4'-P energy: -41.558
tors. eta vs tors. theta energy: -94.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -890.470748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.470748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.470748 (E_RNA)
where:
Base-Base interactions energy: -582.886
where: short stacking energy: -254.150
Base-Backbone interact. energy: -1.002
local terms energy: -306.583210
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -61.684
flat angles C4'-P-C4' energy: -61.212
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: -77.011
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: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -855.226368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.226368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.226368 (E_RNA)
where:
Base-Base interactions energy: -585.009
where: short stacking energy: -257.423
Base-Backbone interact. energy: 0.701
local terms energy: -270.917640
where:
bonds (distance) C4'-P energy: -52.163
bonds (distance) P-C4' energy: -49.607
flat angles C4'-P-C4' energy: -54.250
flat angles P-C4'-P energy: -41.008
tors. eta vs tors. theta energy: -73.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -809.112260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.112260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.112260 (E_RNA)
where:
Base-Base interactions energy: -540.884
where: short stacking energy: -230.370
Base-Backbone interact. energy: -2.566
local terms energy: -265.662588
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -57.335
flat angles C4'-P-C4' energy: -61.251
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -64.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -728.293723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.293723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.293723 (E_RNA)
where:
Base-Base interactions energy: -492.173
where: short stacking energy: -225.988
Base-Backbone interact. energy: 0.741
local terms energy: -236.862139
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -52.188
flat angles P-C4'-P energy: -34.649
tors. eta vs tors. theta energy: -55.677
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: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -524.768987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.768987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.768987 (E_RNA)
where:
Base-Base interactions energy: -323.715
where: short stacking energy: -154.289
Base-Backbone interact. energy: -0.751
local terms energy: -200.302533
where:
bonds (distance) C4'-P energy: -44.398
bonds (distance) P-C4' energy: -51.375
flat angles C4'-P-C4' energy: -45.348
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -28.310
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: 10, replica: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -404.045302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.045302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.045302 (E_RNA)
where:
Base-Base interactions energy: -211.934
where: short stacking energy: -96.014
Base-Backbone interact. energy: -0.503
local terms energy: -191.608355
where:
bonds (distance) C4'-P energy: -49.365
bonds (distance) P-C4' energy: -51.842
flat angles C4'-P-C4' energy: -55.137
flat angles P-C4'-P energy: -33.288
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1110.124040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.124040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.124040 (E_RNA)
where:
Base-Base interactions energy: -783.670
where: short stacking energy: -324.088
Base-Backbone interact. energy: -1.856
local terms energy: -324.597616
where:
bonds (distance) C4'-P energy: -63.790
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -35.356
tors. eta vs tors. theta energy: -93.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1070.166970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.166970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.166970 (E_RNA)
where:
Base-Base interactions energy: -746.961
where: short stacking energy: -321.386
Base-Backbone interact. energy: 0.835
local terms energy: -324.040057
where:
bonds (distance) C4'-P energy: -50.233
bonds (distance) P-C4' energy: -62.567
flat angles C4'-P-C4' energy: -65.649
flat angles P-C4'-P energy: -45.190
tors. eta vs tors. theta energy: -100.400
Dist. restrs. and SS energy: 0.000 (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: 456
Temperature: 1.000000
Total energy: -1047.745028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.745028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.745028 (E_RNA)
where:
Base-Base interactions energy: -722.521
where: short stacking energy: -318.795
Base-Backbone interact. energy: -0.814
local terms energy: -324.409600
where:
bonds (distance) C4'-P energy: -57.912
bonds (distance) P-C4' energy: -52.873
flat angles C4'-P-C4' energy: -67.858
flat angles P-C4'-P energy: -51.103
tors. eta vs tors. theta energy: -94.662
Dist. restrs. and SS energy: 0.000 (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: 456
Temperature: 1.050000
Total energy: -1013.358413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.358413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.358413 (E_RNA)
where:
Base-Base interactions energy: -694.692
where: short stacking energy: -290.691
Base-Backbone interact. energy: -0.272
local terms energy: -318.394529
where:
bonds (distance) C4'-P energy: -62.822
bonds (distance) P-C4' energy: -59.715
flat angles C4'-P-C4' energy: -60.484
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -92.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -892.684720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.684720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.684720 (E_RNA)
where:
Base-Base interactions energy: -580.343
where: short stacking energy: -258.304
Base-Backbone interact. energy: 1.395
local terms energy: -313.736720
where:
bonds (distance) C4'-P energy: -61.659
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -61.286
flat angles P-C4'-P energy: -44.349
tors. eta vs tors. theta energy: -82.296
Dist. restrs. and SS energy: 0.000 (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: 456
Temperature: 1.150000
Total energy: -831.587028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.587028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.587028 (E_RNA)
where:
Base-Base interactions energy: -571.507
where: short stacking energy: -250.309
Base-Backbone interact. energy: -1.707
local terms energy: -258.373433
where:
bonds (distance) C4'-P energy: -47.705
bonds (distance) P-C4' energy: -47.223
flat angles C4'-P-C4' energy: -60.477
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -63.294
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: 7, replica: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -779.553905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.553905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.553905 (E_RNA)
where:
Base-Base interactions energy: -520.414
where: short stacking energy: -235.578
Base-Backbone interact. energy: -1.549
local terms energy: -257.590201
where:
bonds (distance) C4'-P energy: -51.880
bonds (distance) P-C4' energy: -51.250
flat angles C4'-P-C4' energy: -61.593
flat angles P-C4'-P energy: -38.825
tors. eta vs tors. theta energy: -54.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -704.319562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.319562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.319562 (E_RNA)
where:
Base-Base interactions energy: -467.509
where: short stacking energy: -200.124
Base-Backbone interact. energy: -1.963
local terms energy: -234.847675
where:
bonds (distance) C4'-P energy: -47.223
bonds (distance) P-C4' energy: -60.225
flat angles C4'-P-C4' energy: -51.132
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -37.863
Dist. restrs. and SS energy: 0.000 (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: 456
Temperature: 1.300000
Total energy: -500.551760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.551760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.551760 (E_RNA)
where:
Base-Base interactions energy: -297.723
where: short stacking energy: -146.936
Base-Backbone interact. energy: -1.349
local terms energy: -201.480541
where:
bonds (distance) C4'-P energy: -43.541
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -403.794354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.794354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.794354 (E_RNA)
where:
Base-Base interactions energy: -261.585
where: short stacking energy: -124.229
Base-Backbone interact. energy: -1.145
local terms energy: -141.065155
where:
bonds (distance) C4'-P energy: -37.923
bonds (distance) P-C4' energy: -36.414
flat angles C4'-P-C4' energy: -45.025
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -2.640
Dist. restrs. and SS energy: 0.000 (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: 457
Temperature: 0.900000
Total energy: -1128.747097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.747097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.747097 (E_RNA)
where:
Base-Base interactions energy: -796.140
where: short stacking energy: -327.592
Base-Backbone interact. energy: -2.084
local terms energy: -330.523200
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -61.716
flat angles C4'-P-C4' energy: -66.340
flat angles P-C4'-P energy: -49.648
tors. eta vs tors. theta energy: -93.607
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: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1056.509924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.509924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.509924 (E_RNA)
where:
Base-Base interactions energy: -731.841
where: short stacking energy: -324.821
Base-Backbone interact. energy: 0.236
local terms energy: -324.905155
where:
bonds (distance) C4'-P energy: -50.916
bonds (distance) P-C4' energy: -57.601
flat angles C4'-P-C4' energy: -66.977
flat angles P-C4'-P energy: -51.460
tors. eta vs tors. theta energy: -97.952
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: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1031.661910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.661910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.661910 (E_RNA)
where:
Base-Base interactions energy: -719.114
where: short stacking energy: -299.367
Base-Backbone interact. energy: -0.186
local terms energy: -312.362506
where:
bonds (distance) C4'-P energy: -62.889
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -58.043
flat angles P-C4'-P energy: -47.372
tors. eta vs tors. theta energy: -86.727
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: 4, replica: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1002.569747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.569747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.569747 (E_RNA)
where:
Base-Base interactions energy: -688.283
where: short stacking energy: -301.169
Base-Backbone interact. energy: -0.299
local terms energy: -313.987273
where:
bonds (distance) C4'-P energy: -58.919
bonds (distance) P-C4' energy: -53.013
flat angles C4'-P-C4' energy: -69.664
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -88.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -882.475285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.475285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.475285 (E_RNA)
where:
Base-Base interactions energy: -609.907
where: short stacking energy: -259.986
Base-Backbone interact. energy: 1.925
local terms energy: -274.493065
where:
bonds (distance) C4'-P energy: -52.458
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -53.437
flat angles P-C4'-P energy: -48.680
tors. eta vs tors. theta energy: -64.389
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: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -835.948518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.948518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.948518 (E_RNA)
where:
Base-Base interactions energy: -571.338
where: short stacking energy: -247.771
Base-Backbone interact. energy: -0.886
local terms energy: -263.724270
where:
bonds (distance) C4'-P energy: -43.300
bonds (distance) P-C4' energy: -54.773
flat angles C4'-P-C4' energy: -67.901
flat angles P-C4'-P energy: -35.458
tors. eta vs tors. theta energy: -62.293
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: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -797.781610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.781610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.781610 (E_RNA)
where:
Base-Base interactions energy: -524.572
where: short stacking energy: -231.211
Base-Backbone interact. energy: -1.842
local terms energy: -271.367834
where:
bonds (distance) C4'-P energy: -53.774
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -54.818
flat angles P-C4'-P energy: -47.402
tors. eta vs tors. theta energy: -61.529
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: 8, replica: 9
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -714.204245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.204245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.204245 (E_RNA)
where:
Base-Base interactions energy: -460.397
where: short stacking energy: -196.985
Base-Backbone interact. energy: 3.808
local terms energy: -257.615108
where:
bonds (distance) C4'-P energy: -57.968
bonds (distance) P-C4' energy: -59.966
flat angles C4'-P-C4' energy: -51.502
flat angles P-C4'-P energy: -38.719
tors. eta vs tors. theta energy: -49.460
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: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -499.188839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.188839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.188839 (E_RNA)
where:
Base-Base interactions energy: -290.941
where: short stacking energy: -153.910
Base-Backbone interact. energy: 0.250
local terms energy: -208.497455
where:
bonds (distance) C4'-P energy: -54.247
bonds (distance) P-C4' energy: -50.018
flat angles C4'-P-C4' energy: -53.058
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -31.291
Dist. restrs. and SS energy: 0.000 (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: 457
Temperature: 1.350000
Total energy: -394.436946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.436946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.436946 (E_RNA)
where:
Base-Base interactions energy: -197.862
where: short stacking energy: -116.488
Base-Backbone interact. energy: -0.118
local terms energy: -196.457024
where:
bonds (distance) C4'-P energy: -55.854
bonds (distance) P-C4' energy: -45.006
flat angles C4'-P-C4' energy: -40.504
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (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: 458
Temperature: 0.900000
Total energy: -1106.296896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.296896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.296896 (E_RNA)
where:
Base-Base interactions energy: -778.836
where: short stacking energy: -326.709
Base-Backbone interact. energy: -1.807
local terms energy: -325.654056
where:
bonds (distance) C4'-P energy: -56.460
bonds (distance) P-C4' energy: -52.730
flat angles C4'-P-C4' energy: -71.245
flat angles P-C4'-P energy: -54.326
tors. eta vs tors. theta energy: -90.893
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: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1061.486675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.486675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.486675 (E_RNA)
where:
Base-Base interactions energy: -744.063
where: short stacking energy: -326.903
Base-Backbone interact. energy: 0.504
local terms energy: -317.928034
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -57.101
flat angles C4'-P-C4' energy: -64.137
flat angles P-C4'-P energy: -42.435
tors. eta vs tors. theta energy: -101.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1024.446211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.446211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.446211 (E_RNA)
where:
Base-Base interactions energy: -709.927
where: short stacking energy: -290.967
Base-Backbone interact. energy: -0.847
local terms energy: -313.672114
where:
bonds (distance) C4'-P energy: -55.944
bonds (distance) P-C4' energy: -61.023
flat angles C4'-P-C4' energy: -66.603
flat angles P-C4'-P energy: -45.326
tors. eta vs tors. theta energy: -84.777
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: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1004.274392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.274392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.274392 (E_RNA)
where:
Base-Base interactions energy: -708.496
where: short stacking energy: -288.508
Base-Backbone interact. energy: -0.955
local terms energy: -294.824199
where:
bonds (distance) C4'-P energy: -56.114
bonds (distance) P-C4' energy: -56.687
flat angles C4'-P-C4' energy: -61.467
flat angles P-C4'-P energy: -39.214
tors. eta vs tors. theta energy: -81.342
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: 5, replica: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -907.510551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.510551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.510551 (E_RNA)
where:
Base-Base interactions energy: -611.527
where: short stacking energy: -259.749
Base-Backbone interact. energy: -0.386
local terms energy: -295.597520
where:
bonds (distance) C4'-P energy: -53.313
bonds (distance) P-C4' energy: -61.144
flat angles C4'-P-C4' energy: -67.281
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -73.196
Dist. restrs. and SS energy: 0.000 (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: 458
Temperature: 1.150000
Total energy: -847.492674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.492674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.492674 (E_RNA)
where:
Base-Base interactions energy: -579.834
where: short stacking energy: -261.682
Base-Backbone interact. energy: -1.225
local terms energy: -266.432754
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -61.228
flat angles C4'-P-C4' energy: -59.027
flat angles P-C4'-P energy: -40.038
tors. eta vs tors. theta energy: -66.891
Dist. restrs. and SS energy: 0.000 (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: 458
Temperature: 1.200000
Total energy: -728.063491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.063491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.063491 (E_RNA)
where:
Base-Base interactions energy: -494.901
where: short stacking energy: -243.366
Base-Backbone interact. energy: -0.121
local terms energy: -233.041537
where:
bonds (distance) C4'-P energy: -40.146
bonds (distance) P-C4' energy: -47.150
flat angles C4'-P-C4' energy: -59.015
flat angles P-C4'-P energy: -33.050
tors. eta vs tors. theta energy: -53.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -782.133322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.133322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.133322 (E_RNA)
where:
Base-Base interactions energy: -535.734
where: short stacking energy: -220.369
Base-Backbone interact. energy: 0.396
local terms energy: -246.795512
where:
bonds (distance) C4'-P energy: -45.060
bonds (distance) P-C4' energy: -46.798
flat angles C4'-P-C4' energy: -60.439
flat angles P-C4'-P energy: -35.774
tors. eta vs tors. theta energy: -58.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -487.335442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.335442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.335442 (E_RNA)
where:
Base-Base interactions energy: -302.866
where: short stacking energy: -147.488
Base-Backbone interact. energy: 0.023
local terms energy: -184.491953
where:
bonds (distance) C4'-P energy: -58.177
bonds (distance) P-C4' energy: -51.551
flat angles C4'-P-C4' energy: -37.350
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (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: 458
Temperature: 1.350000
Total energy: -364.364456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.364456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.364456 (E_RNA)
where:
Base-Base interactions energy: -203.666
where: short stacking energy: -96.244
Base-Backbone interact. energy: 0.597
local terms energy: -161.295343
where:
bonds (distance) C4'-P energy: -54.257
bonds (distance) P-C4' energy: -34.617
flat angles C4'-P-C4' energy: -50.280
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (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: 459
Temperature: 0.900000
Total energy: -1108.971956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.971956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.971956 (E_RNA)
where:
Base-Base interactions energy: -780.805
where: short stacking energy: -318.418
Base-Backbone interact. energy: -3.180
local terms energy: -324.987264
where:
bonds (distance) C4'-P energy: -59.166
bonds (distance) P-C4' energy: -60.500
flat angles C4'-P-C4' energy: -69.473
flat angles P-C4'-P energy: -44.372
tors. eta vs tors. theta energy: -91.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1070.692406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.692406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.692406 (E_RNA)
where:
Base-Base interactions energy: -740.138
where: short stacking energy: -324.741
Base-Backbone interact. energy: -2.044
local terms energy: -328.510510
where:
bonds (distance) C4'-P energy: -51.067
bonds (distance) P-C4' energy: -61.815
flat angles C4'-P-C4' energy: -69.830
flat angles P-C4'-P energy: -50.648
tors. eta vs tors. theta energy: -95.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1025.677645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.677645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.677645 (E_RNA)
where:
Base-Base interactions energy: -704.112
where: short stacking energy: -311.131
Base-Backbone interact. energy: -1.085
local terms energy: -320.481245
where:
bonds (distance) C4'-P energy: -59.146
bonds (distance) P-C4' energy: -64.240
flat angles C4'-P-C4' energy: -62.545
flat angles P-C4'-P energy: -42.371
tors. eta vs tors. theta energy: -92.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -999.080202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.080202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.080202 (E_RNA)
where:
Base-Base interactions energy: -717.630
where: short stacking energy: -297.215
Base-Backbone interact. energy: -1.070
local terms energy: -280.379841
where:
bonds (distance) C4'-P energy: -49.432
bonds (distance) P-C4' energy: -53.842
flat angles C4'-P-C4' energy: -57.930
flat angles P-C4'-P energy: -36.417
tors. eta vs tors. theta energy: -82.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -858.958206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.958206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.958206 (E_RNA)
where:
Base-Base interactions energy: -569.977
where: short stacking energy: -233.635
Base-Backbone interact. energy: -0.794
local terms energy: -288.187238
where:
bonds (distance) C4'-P energy: -56.379
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -65.075
flat angles P-C4'-P energy: -45.056
tors. eta vs tors. theta energy: -64.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -860.019299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.019299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.019299 (E_RNA)
where:
Base-Base interactions energy: -592.854
where: short stacking energy: -265.536
Base-Backbone interact. energy: -0.866
local terms energy: -266.299655
where:
bonds (distance) C4'-P energy: -50.445
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -46.129
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: -71.635
Dist. restrs. and SS energy: 0.000 (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: 459
Temperature: 1.200000
Total energy: -725.917706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.917706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.917706 (E_RNA)
where:
Base-Base interactions energy: -479.128
where: short stacking energy: -196.227
Base-Backbone interact. energy: -2.850
local terms energy: -243.939335
where:
bonds (distance) C4'-P energy: -48.342
bonds (distance) P-C4' energy: -64.298
flat angles C4'-P-C4' energy: -60.433
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -41.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -753.471987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.471987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.471987 (E_RNA)
where:
Base-Base interactions energy: -511.342
where: short stacking energy: -202.383
Base-Backbone interact. energy: -0.547
local terms energy: -241.582985
where:
bonds (distance) C4'-P energy: -48.422
bonds (distance) P-C4' energy: -56.321
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -36.005
tors. eta vs tors. theta energy: -43.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -455.085424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.085424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.085424 (E_RNA)
where:
Base-Base interactions energy: -251.887
where: short stacking energy: -118.181
Base-Backbone interact. energy: 0.873
local terms energy: -204.071501
where:
bonds (distance) C4'-P energy: -53.219
bonds (distance) P-C4' energy: -53.861
flat angles C4'-P-C4' energy: -50.569
flat angles P-C4'-P energy: -35.697
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -370.364419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.364419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.364419 (E_RNA)
where:
Base-Base interactions energy: -185.305
where: short stacking energy: -107.108
Base-Backbone interact. energy: -1.391
local terms energy: -183.668411
where:
bonds (distance) C4'-P energy: -64.401
bonds (distance) P-C4' energy: -42.231
flat angles C4'-P-C4' energy: -44.917
flat angles P-C4'-P energy: -29.367
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1102.402683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.402683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.402683 (E_RNA)
where:
Base-Base interactions energy: -762.851
where: short stacking energy: -311.773
Base-Backbone interact. energy: -2.146
local terms energy: -337.406061
where:
bonds (distance) C4'-P energy: -60.044
bonds (distance) P-C4' energy: -65.739
flat angles C4'-P-C4' energy: -72.081
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -91.546
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: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1077.160081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.160081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.160081 (E_RNA)
where:
Base-Base interactions energy: -740.236
where: short stacking energy: -327.238
Base-Backbone interact. energy: -0.738
local terms energy: -336.186418
where:
bonds (distance) C4'-P energy: -66.443
bonds (distance) P-C4' energy: -60.732
flat angles C4'-P-C4' energy: -61.165
flat angles P-C4'-P energy: -50.025
tors. eta vs tors. theta energy: -97.821
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: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1015.519002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.519002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.519002 (E_RNA)
where:
Base-Base interactions energy: -699.656
where: short stacking energy: -314.891
Base-Backbone interact. energy: -0.693
local terms energy: -315.170033
where:
bonds (distance) C4'-P energy: -55.995
bonds (distance) P-C4' energy: -54.463
flat angles C4'-P-C4' energy: -65.611
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -92.934
Dist. restrs. and SS energy: 0.000 (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: 460
Temperature: 1.050000
Total energy: -1010.550781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.550781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.550781 (E_RNA)
where:
Base-Base interactions energy: -691.946
where: short stacking energy: -303.534
Base-Backbone interact. energy: -1.142
local terms energy: -317.463230
where:
bonds (distance) C4'-P energy: -62.665
bonds (distance) P-C4' energy: -55.798
flat angles C4'-P-C4' energy: -65.453
flat angles P-C4'-P energy: -43.845
tors. eta vs tors. theta energy: -89.702
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: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -869.156972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.156972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.156972 (E_RNA)
where:
Base-Base interactions energy: -585.765
where: short stacking energy: -276.012
Base-Backbone interact. energy: -1.528
local terms energy: -281.863476
where:
bonds (distance) C4'-P energy: -50.694
bonds (distance) P-C4' energy: -51.927
flat angles C4'-P-C4' energy: -68.593
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -75.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -836.347117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.347117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.347117 (E_RNA)
where:
Base-Base interactions energy: -565.975
where: short stacking energy: -244.301
Base-Backbone interact. energy: -1.146
local terms energy: -269.225763
where:
bonds (distance) C4'-P energy: -56.698
bonds (distance) P-C4' energy: -60.991
flat angles C4'-P-C4' energy: -52.036
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -66.623
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: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -767.084409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.084409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.084409 (E_RNA)
where:
Base-Base interactions energy: -541.444
where: short stacking energy: -237.646
Base-Backbone interact. energy: -1.522
local terms energy: -224.118362
where:
bonds (distance) C4'-P energy: -43.722
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -57.165
flat angles P-C4'-P energy: -35.227
tors. eta vs tors. theta energy: -52.672
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: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -687.388308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.388308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.388308 (E_RNA)
where:
Base-Base interactions energy: -449.670
where: short stacking energy: -224.807
Base-Backbone interact. energy: -1.659
local terms energy: -236.059759
where:
bonds (distance) C4'-P energy: -56.230
bonds (distance) P-C4' energy: -49.754
flat angles C4'-P-C4' energy: -55.825
flat angles P-C4'-P energy: -27.809
tors. eta vs tors. theta energy: -46.441
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: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -494.626455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.626455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.626455 (E_RNA)
where:
Base-Base interactions energy: -290.709
where: short stacking energy: -155.269
Base-Backbone interact. energy: 0.096
local terms energy: -204.013710
where:
bonds (distance) C4'-P energy: -49.776
bonds (distance) P-C4' energy: -49.467
flat angles C4'-P-C4' energy: -58.500
flat angles P-C4'-P energy: -26.548
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (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: 460
Temperature: 1.350000
Total energy: -446.944048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.944048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.944048 (E_RNA)
where:
Base-Base interactions energy: -253.977
where: short stacking energy: -124.362
Base-Backbone interact. energy: -1.122
local terms energy: -191.845394
where:
bonds (distance) C4'-P energy: -47.260
bonds (distance) P-C4' energy: -54.863
flat angles C4'-P-C4' energy: -40.452
flat angles P-C4'-P energy: -26.105
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 0.000 (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: 461
Temperature: 0.900000
Total energy: -1101.515069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.515069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.515069 (E_RNA)
where:
Base-Base interactions energy: -774.097
where: short stacking energy: -307.204
Base-Backbone interact. energy: -1.285
local terms energy: -326.133469
where:
bonds (distance) C4'-P energy: -56.695
bonds (distance) P-C4' energy: -66.764
flat angles C4'-P-C4' energy: -71.036
flat angles P-C4'-P energy: -45.021
tors. eta vs tors. theta energy: -86.618
Dist. restrs. and SS energy: 0.000 (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: 461
Temperature: 0.950000
Total energy: -1055.512151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.512151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.512151 (E_RNA)
where:
Base-Base interactions energy: -729.407
where: short stacking energy: -320.495
Base-Backbone interact. energy: 1.002
local terms energy: -327.107176
where:
bonds (distance) C4'-P energy: -57.541
bonds (distance) P-C4' energy: -66.206
flat angles C4'-P-C4' energy: -67.892
flat angles P-C4'-P energy: -45.633
tors. eta vs tors. theta energy: -89.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1059.297776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.297776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.297776 (E_RNA)
where:
Base-Base interactions energy: -741.520
where: short stacking energy: -323.614
Base-Backbone interact. energy: -0.427
local terms energy: -317.350820
where:
bonds (distance) C4'-P energy: -50.520
bonds (distance) P-C4' energy: -57.753
flat angles C4'-P-C4' energy: -66.920
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -94.630
Dist. restrs. and SS energy: 0.000 (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: 461
Temperature: 1.050000
Total energy: -1010.900229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.900229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.900229 (E_RNA)
where:
Base-Base interactions energy: -718.108
where: short stacking energy: -307.563
Base-Backbone interact. energy: -2.931
local terms energy: -289.861554
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -57.050
flat angles C4'-P-C4' energy: -58.553
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -85.342
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: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -857.823401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.823401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.823401 (E_RNA)
where:
Base-Base interactions energy: -573.977
where: short stacking energy: -258.513
Base-Backbone interact. energy: 0.147
local terms energy: -283.993237
where:
bonds (distance) C4'-P energy: -51.702
bonds (distance) P-C4' energy: -57.783
flat angles C4'-P-C4' energy: -62.058
flat angles P-C4'-P energy: -45.124
tors. eta vs tors. theta energy: -67.327
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: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -812.564184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.564184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.564184 (E_RNA)
where:
Base-Base interactions energy: -558.250
where: short stacking energy: -224.011
Base-Backbone interact. energy: 1.229
local terms energy: -255.544125
where:
bonds (distance) C4'-P energy: -53.724
bonds (distance) P-C4' energy: -60.569
flat angles C4'-P-C4' energy: -50.037
flat angles P-C4'-P energy: -36.358
tors. eta vs tors. theta energy: -54.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -732.906983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.906983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.906983 (E_RNA)
where:
Base-Base interactions energy: -481.640
where: short stacking energy: -207.532
Base-Backbone interact. energy: 0.081
local terms energy: -251.347989
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -50.180
flat angles P-C4'-P energy: -24.433
tors. eta vs tors. theta energy: -58.936
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: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -672.728361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.728361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.728361 (E_RNA)
where:
Base-Base interactions energy: -448.779
where: short stacking energy: -196.566
Base-Backbone interact. energy: 0.468
local terms energy: -224.416865
where:
bonds (distance) C4'-P energy: -50.107
bonds (distance) P-C4' energy: -56.000
flat angles C4'-P-C4' energy: -47.415
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -48.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -479.332299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.332299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.332299 (E_RNA)
where:
Base-Base interactions energy: -278.566
where: short stacking energy: -135.302
Base-Backbone interact. energy: 0.027
local terms energy: -200.793631
where:
bonds (distance) C4'-P energy: -43.088
bonds (distance) P-C4' energy: -58.608
flat angles C4'-P-C4' energy: -46.506
flat angles P-C4'-P energy: -35.651
tors. eta vs tors. theta energy: -16.940
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: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -516.099125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.099125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.099125 (E_RNA)
where:
Base-Base interactions energy: -313.750
where: short stacking energy: -145.829
Base-Backbone interact. energy: -0.636
local terms energy: -201.713007
where:
bonds (distance) C4'-P energy: -43.244
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -39.404
tors. eta vs tors. theta energy: -20.000
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: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1105.603292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.603292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.603292 (E_RNA)
where:
Base-Base interactions energy: -796.969
where: short stacking energy: -327.248
Base-Backbone interact. energy: -0.358
local terms energy: -308.276111
where:
bonds (distance) C4'-P energy: -61.046
bonds (distance) P-C4' energy: -60.539
flat angles C4'-P-C4' energy: -56.724
flat angles P-C4'-P energy: -37.252
tors. eta vs tors. theta energy: -92.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1073.383622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.383622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.383622 (E_RNA)
where:
Base-Base interactions energy: -730.551
where: short stacking energy: -328.115
Base-Backbone interact. energy: -1.347
local terms energy: -341.485449
where:
bonds (distance) C4'-P energy: -57.138
bonds (distance) P-C4' energy: -59.265
flat angles C4'-P-C4' energy: -74.654
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -93.203
Dist. restrs. and SS energy: 0.000 (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: 462
Temperature: 1.000000
Total energy: -1034.205023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.205023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.205023 (E_RNA)
where:
Base-Base interactions energy: -717.243
where: short stacking energy: -297.159
Base-Backbone interact. energy: -2.016
local terms energy: -314.945652
where:
bonds (distance) C4'-P energy: -57.643
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -64.438
flat angles P-C4'-P energy: -47.249
tors. eta vs tors. theta energy: -89.605
Dist. restrs. and SS energy: 0.000 (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: 462
Temperature: 1.050000
Total energy: -1008.341258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.341258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.341258 (E_RNA)
where:
Base-Base interactions energy: -711.505
where: short stacking energy: -296.068
Base-Backbone interact. energy: -0.197
local terms energy: -296.639298
where:
bonds (distance) C4'-P energy: -56.979
bonds (distance) P-C4' energy: -52.746
flat angles C4'-P-C4' energy: -51.818
flat angles P-C4'-P energy: -41.192
tors. eta vs tors. theta energy: -93.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -852.380897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.380897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.380897 (E_RNA)
where:
Base-Base interactions energy: -575.021
where: short stacking energy: -256.588
Base-Backbone interact. energy: 0.387
local terms energy: -277.746936
where:
bonds (distance) C4'-P energy: -41.631
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -63.746
flat angles P-C4'-P energy: -48.011
tors. eta vs tors. theta energy: -68.881
Dist. restrs. and SS energy: 0.000 (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: 462
Temperature: 1.150000
Total energy: -828.271279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.271279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.271279 (E_RNA)
where:
Base-Base interactions energy: -561.334
where: short stacking energy: -251.163
Base-Backbone interact. energy: 0.178
local terms energy: -267.115749
where:
bonds (distance) C4'-P energy: -43.759
bonds (distance) P-C4' energy: -56.909
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -40.608
tors. eta vs tors. theta energy: -69.782
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: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -810.830843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.830843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.830843 (E_RNA)
where:
Base-Base interactions energy: -550.983
where: short stacking energy: -242.037
Base-Backbone interact. energy: -0.647
local terms energy: -259.200952
where:
bonds (distance) C4'-P energy: -44.677
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -54.990
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -65.739
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: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -685.115500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.115500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.115500 (E_RNA)
where:
Base-Base interactions energy: -446.065
where: short stacking energy: -212.958
Base-Backbone interact. energy: 0.566
local terms energy: -239.616804
where:
bonds (distance) C4'-P energy: -54.146
bonds (distance) P-C4' energy: -37.065
flat angles C4'-P-C4' energy: -64.166
flat angles P-C4'-P energy: -33.810
tors. eta vs tors. theta energy: -50.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -556.749403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.749403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.749403 (E_RNA)
where:
Base-Base interactions energy: -363.764
where: short stacking energy: -167.297
Base-Backbone interact. energy: -0.661
local terms energy: -192.324896
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -54.002
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -35.816
tors. eta vs tors. theta energy: -32.945
Dist. restrs. and SS energy: 0.000 (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: 462
Temperature: 1.350000
Total energy: -437.043937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.043937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.043937 (E_RNA)
where:
Base-Base interactions energy: -265.923
where: short stacking energy: -124.121
Base-Backbone interact. energy: 3.661
local terms energy: -174.782092
where:
bonds (distance) C4'-P energy: -42.214
bonds (distance) P-C4' energy: -57.482
flat angles C4'-P-C4' energy: -40.527
flat angles P-C4'-P energy: -18.672
tors. eta vs tors. theta energy: -15.887
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: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1118.472003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.472003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.472003 (E_RNA)
where:
Base-Base interactions energy: -789.634
where: short stacking energy: -330.936
Base-Backbone interact. energy: -1.344
local terms energy: -327.493474
where:
bonds (distance) C4'-P energy: -57.484
bonds (distance) P-C4' energy: -59.697
flat angles C4'-P-C4' energy: -69.884
flat angles P-C4'-P energy: -43.867
tors. eta vs tors. theta energy: -96.561
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: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1077.156169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.156169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.156169 (E_RNA)
where:
Base-Base interactions energy: -742.229
where: short stacking energy: -327.377
Base-Backbone interact. energy: -0.289
local terms energy: -334.637558
where:
bonds (distance) C4'-P energy: -58.017
bonds (distance) P-C4' energy: -60.377
flat angles C4'-P-C4' energy: -68.258
flat angles P-C4'-P energy: -51.418
tors. eta vs tors. theta energy: -96.568
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: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1046.944958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.944958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.944958 (E_RNA)
where:
Base-Base interactions energy: -722.192
where: short stacking energy: -313.736
Base-Backbone interact. energy: -0.803
local terms energy: -323.950062
where:
bonds (distance) C4'-P energy: -57.186
bonds (distance) P-C4' energy: -60.539
flat angles C4'-P-C4' energy: -66.636
flat angles P-C4'-P energy: -49.268
tors. eta vs tors. theta energy: -90.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -995.788523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.788523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.788523 (E_RNA)
where:
Base-Base interactions energy: -670.692
where: short stacking energy: -293.860
Base-Backbone interact. energy: -1.760
local terms energy: -323.336176
where:
bonds (distance) C4'-P energy: -56.625
bonds (distance) P-C4' energy: -59.282
flat angles C4'-P-C4' energy: -67.004
flat angles P-C4'-P energy: -51.689
tors. eta vs tors. theta energy: -88.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -869.471199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.471199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.471199 (E_RNA)
where:
Base-Base interactions energy: -585.849
where: short stacking energy: -256.426
Base-Backbone interact. energy: -0.258
local terms energy: -283.363962
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -59.573
flat angles C4'-P-C4' energy: -63.892
flat angles P-C4'-P energy: -36.601
tors. eta vs tors. theta energy: -70.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -822.064718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.064718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.064718 (E_RNA)
where:
Base-Base interactions energy: -556.252
where: short stacking energy: -229.637
Base-Backbone interact. energy: -1.393
local terms energy: -264.419492
where:
bonds (distance) C4'-P energy: -56.241
bonds (distance) P-C4' energy: -51.854
flat angles C4'-P-C4' energy: -58.737
flat angles P-C4'-P energy: -38.546
tors. eta vs tors. theta energy: -59.041
Dist. restrs. and SS energy: 0.000 (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: 463
Temperature: 1.200000
Total energy: -818.345698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.345698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.345698 (E_RNA)
where:
Base-Base interactions energy: -551.862
where: short stacking energy: -240.605
Base-Backbone interact. energy: -2.067
local terms energy: -264.416225
where:
bonds (distance) C4'-P energy: -55.033
bonds (distance) P-C4' energy: -50.499
flat angles C4'-P-C4' energy: -57.179
flat angles P-C4'-P energy: -36.007
tors. eta vs tors. theta energy: -65.699
Dist. restrs. and SS energy: 0.000 (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: 463
Temperature: 1.250000
Total energy: -642.221695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.221695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.221695 (E_RNA)
where:
Base-Base interactions energy: -420.133
where: short stacking energy: -191.833
Base-Backbone interact. energy: -0.601
local terms energy: -221.488283
where:
bonds (distance) C4'-P energy: -50.291
bonds (distance) P-C4' energy: -47.909
flat angles C4'-P-C4' energy: -55.803
flat angles P-C4'-P energy: -33.859
tors. eta vs tors. theta energy: -33.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -625.500507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.500507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.500507 (E_RNA)
where:
Base-Base interactions energy: -412.744
where: short stacking energy: -186.360
Base-Backbone interact. energy: -0.878
local terms energy: -211.878110
where:
bonds (distance) C4'-P energy: -42.201
bonds (distance) P-C4' energy: -56.860
flat angles C4'-P-C4' energy: -49.060
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -31.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -436.352375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.352375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.352375 (E_RNA)
where:
Base-Base interactions energy: -238.267
where: short stacking energy: -130.281
Base-Backbone interact. energy: -0.798
local terms energy: -197.286578
where:
bonds (distance) C4'-P energy: -56.390
bonds (distance) P-C4' energy: -53.521
flat angles C4'-P-C4' energy: -51.856
flat angles P-C4'-P energy: -26.251
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1113.061854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.061854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.061854 (E_RNA)
where:
Base-Base interactions energy: -789.637
where: short stacking energy: -332.458
Base-Backbone interact. energy: -0.358
local terms energy: -323.067458
where:
bonds (distance) C4'-P energy: -58.528
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -65.043
flat angles P-C4'-P energy: -47.794
tors. eta vs tors. theta energy: -94.460
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: 2, replica: 10
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1040.105987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.105987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.105987 (E_RNA)
where:
Base-Base interactions energy: -727.552
where: short stacking energy: -321.438
Base-Backbone interact. energy: -0.218
local terms energy: -312.336137
where:
bonds (distance) C4'-P energy: -56.719
bonds (distance) P-C4' energy: -58.188
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -52.431
tors. eta vs tors. theta energy: -87.918
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: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1021.173780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.173780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.173780 (E_RNA)
where:
Base-Base interactions energy: -702.436
where: short stacking energy: -320.428
Base-Backbone interact. energy: -1.373
local terms energy: -317.364577
where:
bonds (distance) C4'-P energy: -53.571
bonds (distance) P-C4' energy: -55.029
flat angles C4'-P-C4' energy: -67.896
flat angles P-C4'-P energy: -47.101
tors. eta vs tors. theta energy: -93.767
Dist. restrs. and SS energy: 0.000 (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: 464
Temperature: 1.050000
Total energy: -1005.339146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.339146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.339146 (E_RNA)
where:
Base-Base interactions energy: -709.445
where: short stacking energy: -284.181
Base-Backbone interact. energy: -1.722
local terms energy: -294.172146
where:
bonds (distance) C4'-P energy: -48.927
bonds (distance) P-C4' energy: -54.421
flat angles C4'-P-C4' energy: -64.130
flat angles P-C4'-P energy: -39.728
tors. eta vs tors. theta energy: -86.966
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: 4
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -863.071994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.071994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.071994 (E_RNA)
where:
Base-Base interactions energy: -589.777
where: short stacking energy: -262.539
Base-Backbone interact. energy: -0.931
local terms energy: -272.363896
where:
bonds (distance) C4'-P energy: -49.665
bonds (distance) P-C4' energy: -48.799
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -42.337
tors. eta vs tors. theta energy: -67.205
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: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -852.172146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.172146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.172146 (E_RNA)
where:
Base-Base interactions energy: -580.491
where: short stacking energy: -238.692
Base-Backbone interact. energy: -1.077
local terms energy: -270.604357
where:
bonds (distance) C4'-P energy: -60.420
bonds (distance) P-C4' energy: -52.590
flat angles C4'-P-C4' energy: -59.653
flat angles P-C4'-P energy: -37.633
tors. eta vs tors. theta energy: -60.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -812.648480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.648480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.648480 (E_RNA)
where:
Base-Base interactions energy: -560.339
where: short stacking energy: -247.558
Base-Backbone interact. energy: -1.963
local terms energy: -250.346116
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -51.840
flat angles C4'-P-C4' energy: -49.911
flat angles P-C4'-P energy: -38.812
tors. eta vs tors. theta energy: -62.818
Dist. restrs. and SS energy: 0.000 (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: 464
Temperature: 1.250000
Total energy: -689.423362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.423362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.423362 (E_RNA)
where:
Base-Base interactions energy: -451.545
where: short stacking energy: -216.528
Base-Backbone interact. energy: 1.139
local terms energy: -239.017686
where:
bonds (distance) C4'-P energy: -51.678
bonds (distance) P-C4' energy: -53.063
flat angles C4'-P-C4' energy: -62.762
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -42.507
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: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -595.310735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.310735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.310735 (E_RNA)
where:
Base-Base interactions energy: -369.357
where: short stacking energy: -171.420
Base-Backbone interact. energy: -3.139
local terms energy: -222.814618
where:
bonds (distance) C4'-P energy: -53.860
bonds (distance) P-C4' energy: -42.708
flat angles C4'-P-C4' energy: -43.889
flat angles P-C4'-P energy: -47.718
tors. eta vs tors. theta energy: -34.640
Dist. restrs. and SS energy: 0.000 (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: 464
Temperature: 1.350000
Total energy: -412.567038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.567038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.567038 (E_RNA)
where:
Base-Base interactions energy: -254.667
where: short stacking energy: -108.014
Base-Backbone interact. energy: 0.377
local terms energy: -158.277614
where:
bonds (distance) C4'-P energy: -49.719
bonds (distance) P-C4' energy: -44.552
flat angles C4'-P-C4' energy: -34.651
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (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: 465
Temperature: 0.900000
Total energy: -1108.663436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.663436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.663436 (E_RNA)
where:
Base-Base interactions energy: -783.842
where: short stacking energy: -312.786
Base-Backbone interact. energy: 1.115
local terms energy: -325.935685
where:
bonds (distance) C4'-P energy: -60.401
bonds (distance) P-C4' energy: -65.195
flat angles C4'-P-C4' energy: -70.772
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -89.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1056.630281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.630281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.630281 (E_RNA)
where:
Base-Base interactions energy: -726.496
where: short stacking energy: -322.738
Base-Backbone interact. energy: -0.120
local terms energy: -330.013775
where:
bonds (distance) C4'-P energy: -55.916
bonds (distance) P-C4' energy: -63.174
flat angles C4'-P-C4' energy: -64.821
flat angles P-C4'-P energy: -50.837
tors. eta vs tors. theta energy: -95.267
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: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1021.723714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.723714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.723714 (E_RNA)
where:
Base-Base interactions energy: -709.338
where: short stacking energy: -294.252
Base-Backbone interact. energy: -3.372
local terms energy: -309.013817
where:
bonds (distance) C4'-P energy: -55.874
bonds (distance) P-C4' energy: -54.827
flat angles C4'-P-C4' energy: -67.113
flat angles P-C4'-P energy: -41.748
tors. eta vs tors. theta energy: -89.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -978.305466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.305466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.305466 (E_RNA)
where:
Base-Base interactions energy: -674.211
where: short stacking energy: -299.636
Base-Backbone interact. energy: -0.750
local terms energy: -303.344500
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -49.953
flat angles C4'-P-C4' energy: -77.775
flat angles P-C4'-P energy: -42.974
tors. eta vs tors. theta energy: -84.723
Dist. restrs. and SS energy: 0.000 (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: 465
Temperature: 1.100000
Total energy: -879.944188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.944188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.944188 (E_RNA)
where:
Base-Base interactions energy: -611.937
where: short stacking energy: -256.822
Base-Backbone interact. energy: -1.096
local terms energy: -266.911524
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -51.389
flat angles C4'-P-C4' energy: -57.123
flat angles P-C4'-P energy: -37.909
tors. eta vs tors. theta energy: -73.027
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: 6, replica: 3
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -857.838873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.838873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.838873 (E_RNA)
where:
Base-Base interactions energy: -582.281
where: short stacking energy: -256.263
Base-Backbone interact. energy: -1.198
local terms energy: -274.360220
where:
bonds (distance) C4'-P energy: -56.282
bonds (distance) P-C4' energy: -50.656
flat angles C4'-P-C4' energy: -64.758
flat angles P-C4'-P energy: -30.170
tors. eta vs tors. theta energy: -72.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -785.943244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.943244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.943244 (E_RNA)
where:
Base-Base interactions energy: -525.633
where: short stacking energy: -226.316
Base-Backbone interact. energy: 1.236
local terms energy: -261.546267
where:
bonds (distance) C4'-P energy: -52.214
bonds (distance) P-C4' energy: -59.238
flat angles C4'-P-C4' energy: -59.400
flat angles P-C4'-P energy: -35.474
tors. eta vs tors. theta energy: -55.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -656.333237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.333237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.333237 (E_RNA)
where:
Base-Base interactions energy: -419.514
where: short stacking energy: -188.377
Base-Backbone interact. energy: -0.781
local terms energy: -236.037903
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -60.292
flat angles C4'-P-C4' energy: -50.390
flat angles P-C4'-P energy: -40.352
tors. eta vs tors. theta energy: -42.599
Dist. restrs. and SS energy: 0.000 (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: 465
Temperature: 1.300000
Total energy: -608.100303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.100303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.100303 (E_RNA)
where:
Base-Base interactions energy: -387.777
where: short stacking energy: -169.538
Base-Backbone interact. energy: -1.992
local terms energy: -218.330716
where:
bonds (distance) C4'-P energy: -41.952
bonds (distance) P-C4' energy: -62.018
flat angles C4'-P-C4' energy: -46.901
flat angles P-C4'-P energy: -31.954
tors. eta vs tors. theta energy: -35.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -418.092085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.092085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.092085 (E_RNA)
where:
Base-Base interactions energy: -238.055
where: short stacking energy: -105.391
Base-Backbone interact. energy: -1.106
local terms energy: -178.930770
where:
bonds (distance) C4'-P energy: -44.725
bonds (distance) P-C4' energy: -56.768
flat angles C4'-P-C4' energy: -41.779
flat angles P-C4'-P energy: -34.298
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1109.564344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.564344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.564344 (E_RNA)
where:
Base-Base interactions energy: -784.343
where: short stacking energy: -315.106
Base-Backbone interact. energy: -0.392
local terms energy: -324.829002
where:
bonds (distance) C4'-P energy: -60.914
bonds (distance) P-C4' energy: -64.006
flat angles C4'-P-C4' energy: -65.696
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -85.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1068.577449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.577449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.577449 (E_RNA)
where:
Base-Base interactions energy: -747.640
where: short stacking energy: -329.739
Base-Backbone interact. energy: -0.366
local terms energy: -320.570736
where:
bonds (distance) C4'-P energy: -49.152
bonds (distance) P-C4' energy: -60.524
flat angles C4'-P-C4' energy: -68.783
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -100.068
Dist. restrs. and SS energy: 0.000 (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: 466
Temperature: 1.000000
Total energy: -1025.945266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.945266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.945266 (E_RNA)
where:
Base-Base interactions energy: -693.796
where: short stacking energy: -302.491
Base-Backbone interact. energy: 1.502
local terms energy: -333.651153
where:
bonds (distance) C4'-P energy: -65.261
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -63.124
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -90.988
Dist. restrs. and SS energy: 0.000 (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: 466
Temperature: 1.050000
Total energy: -1017.220416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.220416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.220416 (E_RNA)
where:
Base-Base interactions energy: -715.101
where: short stacking energy: -305.928
Base-Backbone interact. energy: -0.952
local terms energy: -301.167581
where:
bonds (distance) C4'-P energy: -50.376
bonds (distance) P-C4' energy: -56.748
flat angles C4'-P-C4' energy: -62.181
flat angles P-C4'-P energy: -42.029
tors. eta vs tors. theta energy: -89.834
Dist. restrs. and SS energy: 0.000 (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: 466
Temperature: 1.100000
Total energy: -849.018928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.018928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.018928 (E_RNA)
where:
Base-Base interactions energy: -559.631
where: short stacking energy: -250.929
Base-Backbone interact. energy: -1.037
local terms energy: -288.350865
where:
bonds (distance) C4'-P energy: -49.474
bonds (distance) P-C4' energy: -59.078
flat angles C4'-P-C4' energy: -66.591
flat angles P-C4'-P energy: -49.082
tors. eta vs tors. theta energy: -64.126
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: 6, replica: 4
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -854.171849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.171849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.171849 (E_RNA)
where:
Base-Base interactions energy: -581.921
where: short stacking energy: -249.868
Base-Backbone interact. energy: -1.933
local terms energy: -270.317795
where:
bonds (distance) C4'-P energy: -62.352
bonds (distance) P-C4' energy: -50.330
flat angles C4'-P-C4' energy: -58.422
flat angles P-C4'-P energy: -40.532
tors. eta vs tors. theta energy: -58.681
Dist. restrs. and SS energy: 0.000 (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: 466
Temperature: 1.200000
Total energy: -762.286615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.286615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.286615 (E_RNA)
where:
Base-Base interactions energy: -517.959
where: short stacking energy: -229.422
Base-Backbone interact. energy: -0.712
local terms energy: -243.615571
where:
bonds (distance) C4'-P energy: -42.443
bonds (distance) P-C4' energy: -52.235
flat angles C4'-P-C4' energy: -59.145
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: -57.229
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: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -666.352497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.352497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.352497 (E_RNA)
where:
Base-Base interactions energy: -418.657
where: short stacking energy: -185.917
Base-Backbone interact. energy: -0.155
local terms energy: -247.540011
where:
bonds (distance) C4'-P energy: -55.432
bonds (distance) P-C4' energy: -57.017
flat angles C4'-P-C4' energy: -55.406
flat angles P-C4'-P energy: -40.429
tors. eta vs tors. theta energy: -39.255
Dist. restrs. and SS energy: 0.000 (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: 466
Temperature: 1.300000
Total energy: -593.272264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.272264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.272264 (E_RNA)
where:
Base-Base interactions energy: -390.902
where: short stacking energy: -177.499
Base-Backbone interact. energy: 5.419
local terms energy: -207.789578
where:
bonds (distance) C4'-P energy: -44.710
bonds (distance) P-C4' energy: -53.450
flat angles C4'-P-C4' energy: -44.572
flat angles P-C4'-P energy: -37.632
tors. eta vs tors. theta energy: -27.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -433.158866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.158866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.158866 (E_RNA)
where:
Base-Base interactions energy: -240.356
where: short stacking energy: -113.716
Base-Backbone interact. energy: -0.169
local terms energy: -192.633721
where:
bonds (distance) C4'-P energy: -42.212
bonds (distance) P-C4' energy: -59.694
flat angles C4'-P-C4' energy: -51.138
flat angles P-C4'-P energy: -28.674
tors. eta vs tors. theta energy: -10.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1112.471170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.471170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.471170 (E_RNA)
where:
Base-Base interactions energy: -794.912
where: short stacking energy: -322.621
Base-Backbone interact. energy: -2.101
local terms energy: -315.457779
where:
bonds (distance) C4'-P energy: -61.525
bonds (distance) P-C4' energy: -51.627
flat angles C4'-P-C4' energy: -64.219
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: -91.900
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: 2, replica: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1070.285272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.285272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.285272 (E_RNA)
where:
Base-Base interactions energy: -732.571
where: short stacking energy: -334.335
Base-Backbone interact. energy: 0.220
local terms energy: -337.934925
where:
bonds (distance) C4'-P energy: -60.276
bonds (distance) P-C4' energy: -59.257
flat angles C4'-P-C4' energy: -72.942
flat angles P-C4'-P energy: -47.673
tors. eta vs tors. theta energy: -97.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1016.022033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.022033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.022033 (E_RNA)
where:
Base-Base interactions energy: -713.839
where: short stacking energy: -311.904
Base-Backbone interact. energy: -0.094
local terms energy: -302.088654
where:
bonds (distance) C4'-P energy: -53.326
bonds (distance) P-C4' energy: -53.261
flat angles C4'-P-C4' energy: -70.476
flat angles P-C4'-P energy: -37.078
tors. eta vs tors. theta energy: -87.947
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: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1022.385628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.385628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.385628 (E_RNA)
where:
Base-Base interactions energy: -729.102
where: short stacking energy: -306.076
Base-Backbone interact. energy: -1.967
local terms energy: -291.316543
where:
bonds (distance) C4'-P energy: -43.211
bonds (distance) P-C4' energy: -61.508
flat angles C4'-P-C4' energy: -65.095
flat angles P-C4'-P energy: -36.970
tors. eta vs tors. theta energy: -84.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -848.367188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.367188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.367188 (E_RNA)
where:
Base-Base interactions energy: -573.859
where: short stacking energy: -261.133
Base-Backbone interact. energy: 0.380
local terms energy: -274.888829
where:
bonds (distance) C4'-P energy: -47.244
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -72.242
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: 6, replica: 4
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -852.203288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.203288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.203288 (E_RNA)
where:
Base-Base interactions energy: -582.242
where: short stacking energy: -257.221
Base-Backbone interact. energy: -1.411
local terms energy: -268.550526
where:
bonds (distance) C4'-P energy: -41.840
bonds (distance) P-C4' energy: -59.068
flat angles C4'-P-C4' energy: -52.548
flat angles P-C4'-P energy: -40.280
tors. eta vs tors. theta energy: -74.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -737.724320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.724320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.724320 (E_RNA)
where:
Base-Base interactions energy: -496.143
where: short stacking energy: -199.113
Base-Backbone interact. energy: -0.339
local terms energy: -241.243052
where:
bonds (distance) C4'-P energy: -41.610
bonds (distance) P-C4' energy: -48.573
flat angles C4'-P-C4' energy: -61.895
flat angles P-C4'-P energy: -46.094
tors. eta vs tors. theta energy: -43.071
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: 8, replica: 2
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -633.931175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.931175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.931175 (E_RNA)
where:
Base-Base interactions energy: -412.047
where: short stacking energy: -199.482
Base-Backbone interact. energy: -1.647
local terms energy: -220.237011
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -50.448
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: -38.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -642.839353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.839353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.839353 (E_RNA)
where:
Base-Base interactions energy: -426.698
where: short stacking energy: -177.583
Base-Backbone interact. energy: 1.542
local terms energy: -217.683430
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -56.813
flat angles C4'-P-C4' energy: -55.152
flat angles P-C4'-P energy: -25.376
tors. eta vs tors. theta energy: -36.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -453.417369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.417369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.417369 (E_RNA)
where:
Base-Base interactions energy: -271.830
where: short stacking energy: -125.850
Base-Backbone interact. energy: 1.184
local terms energy: -182.770747
where:
bonds (distance) C4'-P energy: -43.738
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -44.119
flat angles P-C4'-P energy: -29.427
tors. eta vs tors. theta energy: -16.998
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: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1075.342100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.342100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.342100 (E_RNA)
where:
Base-Base interactions energy: -749.656
where: short stacking energy: -331.044
Base-Backbone interact. energy: -0.903
local terms energy: -324.783871
where:
bonds (distance) C4'-P energy: -60.482
bonds (distance) P-C4' energy: -53.386
flat angles C4'-P-C4' energy: -71.133
flat angles P-C4'-P energy: -46.237
tors. eta vs tors. theta energy: -93.546
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: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1097.563813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.563813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.563813 (E_RNA)
where:
Base-Base interactions energy: -769.118
where: short stacking energy: -315.072
Base-Backbone interact. energy: -1.029
local terms energy: -327.417260
where:
bonds (distance) C4'-P energy: -58.776
bonds (distance) P-C4' energy: -59.315
flat angles C4'-P-C4' energy: -70.805
flat angles P-C4'-P energy: -46.554
tors. eta vs tors. theta energy: -91.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1031.378043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.378043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.378043 (E_RNA)
where:
Base-Base interactions energy: -712.788
where: short stacking energy: -300.683
Base-Backbone interact. energy: -1.711
local terms energy: -316.879043
where:
bonds (distance) C4'-P energy: -61.711
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -63.864
flat angles P-C4'-P energy: -42.226
tors. eta vs tors. theta energy: -87.088
Dist. restrs. and SS energy: 0.000 (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: 468
Temperature: 1.050000
Total energy: -1027.141177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.141177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.141177 (E_RNA)
where:
Base-Base interactions energy: -742.988
where: short stacking energy: -306.319
Base-Backbone interact. energy: -3.344
local terms energy: -280.809907
where:
bonds (distance) C4'-P energy: -43.468
bonds (distance) P-C4' energy: -52.491
flat angles C4'-P-C4' energy: -62.143
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -84.441
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: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -868.402774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.402774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.402774 (E_RNA)
where:
Base-Base interactions energy: -584.606
where: short stacking energy: -263.125
Base-Backbone interact. energy: -0.795
local terms energy: -283.001952
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -60.494
flat angles C4'-P-C4' energy: -65.295
flat angles P-C4'-P energy: -31.749
tors. eta vs tors. theta energy: -72.710
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: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -802.062218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.062218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.062218 (E_RNA)
where:
Base-Base interactions energy: -542.321
where: short stacking energy: -233.154
Base-Backbone interact. energy: 1.745
local terms energy: -261.486349
where:
bonds (distance) C4'-P energy: -54.857
bonds (distance) P-C4' energy: -59.071
flat angles C4'-P-C4' energy: -59.654
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -54.175
Dist. restrs. and SS energy: 0.000 (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: 468
Temperature: 1.200000
Total energy: -765.165155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.165155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.165155 (E_RNA)
where:
Base-Base interactions energy: -516.035
where: short stacking energy: -245.937
Base-Backbone interact. energy: -0.316
local terms energy: -248.814699
where:
bonds (distance) C4'-P energy: -60.239
bonds (distance) P-C4' energy: -48.974
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -60.863
Dist. restrs. and SS energy: 0.000 (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: 468
Temperature: 1.250000
Total energy: -618.985110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.985110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.985110 (E_RNA)
where:
Base-Base interactions energy: -413.383
where: short stacking energy: -185.654
Base-Backbone interact. energy: -0.872
local terms energy: -204.730110
where:
bonds (distance) C4'-P energy: -41.142
bonds (distance) P-C4' energy: -53.416
flat angles C4'-P-C4' energy: -42.196
flat angles P-C4'-P energy: -37.013
tors. eta vs tors. theta energy: -30.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -661.411978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.411978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.411978 (E_RNA)
where:
Base-Base interactions energy: -438.423
where: short stacking energy: -193.056
Base-Backbone interact. energy: 3.826
local terms energy: -226.815206
where:
bonds (distance) C4'-P energy: -48.491
bonds (distance) P-C4' energy: -52.188
flat angles C4'-P-C4' energy: -51.712
flat angles P-C4'-P energy: -31.512
tors. eta vs tors. theta energy: -42.912
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: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -457.291886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.291886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.291886 (E_RNA)
where:
Base-Base interactions energy: -264.039
where: short stacking energy: -120.652
Base-Backbone interact. energy: 2.113
local terms energy: -195.364947
where:
bonds (distance) C4'-P energy: -56.852
bonds (distance) P-C4' energy: -58.263
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1094.231244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.231244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.231244 (E_RNA)
where:
Base-Base interactions energy: -746.640
where: short stacking energy: -327.806
Base-Backbone interact. energy: -0.487
local terms energy: -347.103637
where:
bonds (distance) C4'-P energy: -58.641
bonds (distance) P-C4' energy: -63.511
flat angles C4'-P-C4' energy: -72.831
flat angles P-C4'-P energy: -52.909
tors. eta vs tors. theta energy: -99.211
Dist. restrs. and SS energy: 0.000 (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: 469
Temperature: 0.950000
Total energy: -1086.235010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.235010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.235010 (E_RNA)
where:
Base-Base interactions energy: -773.421
where: short stacking energy: -325.232
Base-Backbone interact. energy: -0.342
local terms energy: -312.472133
where:
bonds (distance) C4'-P energy: -45.211
bonds (distance) P-C4' energy: -60.296
flat angles C4'-P-C4' energy: -71.542
flat angles P-C4'-P energy: -47.218
tors. eta vs tors. theta energy: -88.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1022.086028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.086028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.086028 (E_RNA)
where:
Base-Base interactions energy: -727.569
where: short stacking energy: -322.051
Base-Backbone interact. energy: 2.188
local terms energy: -296.705545
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -56.162
flat angles C4'-P-C4' energy: -67.881
flat angles P-C4'-P energy: -38.214
tors. eta vs tors. theta energy: -94.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1027.698001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.698001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.698001 (E_RNA)
where:
Base-Base interactions energy: -725.605
where: short stacking energy: -304.478
Base-Backbone interact. energy: -1.219
local terms energy: -300.873479
where:
bonds (distance) C4'-P energy: -46.772
bonds (distance) P-C4' energy: -61.606
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -88.651
Dist. restrs. and SS energy: 0.000 (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: 469
Temperature: 1.100000
Total energy: -867.336063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.336063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.336063 (E_RNA)
where:
Base-Base interactions energy: -586.886
where: short stacking energy: -249.181
Base-Backbone interact. energy: -0.370
local terms energy: -280.079847
where:
bonds (distance) C4'-P energy: -47.366
bonds (distance) P-C4' energy: -51.307
flat angles C4'-P-C4' energy: -66.708
flat angles P-C4'-P energy: -45.041
tors. eta vs tors. theta energy: -69.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -781.131706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.131706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.131706 (E_RNA)
where:
Base-Base interactions energy: -525.604
where: short stacking energy: -227.612
Base-Backbone interact. energy: 0.846
local terms energy: -256.373021
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -58.664
flat angles C4'-P-C4' energy: -58.751
flat angles P-C4'-P energy: -33.907
tors. eta vs tors. theta energy: -50.034
Dist. restrs. and SS energy: 0.000 (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: 469
Temperature: 1.200000
Total energy: -750.461439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.461439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.461439 (E_RNA)
where:
Base-Base interactions energy: -511.094
where: short stacking energy: -229.307
Base-Backbone interact. energy: -0.688
local terms energy: -238.680000
where:
bonds (distance) C4'-P energy: -33.899
bonds (distance) P-C4' energy: -53.140
flat angles C4'-P-C4' energy: -54.318
flat angles P-C4'-P energy: -41.022
tors. eta vs tors. theta energy: -56.301
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: 8, replica: 9
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -715.346740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.346740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.346740 (E_RNA)
where:
Base-Base interactions energy: -482.354
where: short stacking energy: -207.674
Base-Backbone interact. energy: -1.822
local terms energy: -231.170727
where:
bonds (distance) C4'-P energy: -46.141
bonds (distance) P-C4' energy: -49.530
flat angles C4'-P-C4' energy: -52.537
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -53.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -607.427872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.427872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.427872 (E_RNA)
where:
Base-Base interactions energy: -396.981
where: short stacking energy: -173.211
Base-Backbone interact. energy: 0.636
local terms energy: -211.082512
where:
bonds (distance) C4'-P energy: -48.179
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -47.164
flat angles P-C4'-P energy: -38.574
tors. eta vs tors. theta energy: -24.782
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: 10, replica: 7
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -453.705768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.705768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.705768 (E_RNA)
where:
Base-Base interactions energy: -263.147
where: short stacking energy: -125.029
Base-Backbone interact. energy: -2.302
local terms energy: -188.257356
where:
bonds (distance) C4'-P energy: -52.050
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -43.066
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 0.000 (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: 470
Temperature: 0.900000
Total energy: -1115.661587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.661587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.661587 (E_RNA)
where:
Base-Base interactions energy: -789.271
where: short stacking energy: -319.150
Base-Backbone interact. energy: -1.992
local terms energy: -324.398173
where:
bonds (distance) C4'-P energy: -65.472
bonds (distance) P-C4' energy: -54.813
flat angles C4'-P-C4' energy: -71.202
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -87.733
Dist. restrs. and SS energy: 0.000 (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: 470
Temperature: 0.950000
Total energy: -1063.193559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.193559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.193559 (E_RNA)
where:
Base-Base interactions energy: -742.870
where: short stacking energy: -318.760
Base-Backbone interact. energy: 4.843
local terms energy: -325.166099
where:
bonds (distance) C4'-P energy: -60.558
bonds (distance) P-C4' energy: -47.507
flat angles C4'-P-C4' energy: -69.322
flat angles P-C4'-P energy: -51.750
tors. eta vs tors. theta energy: -96.029
Dist. restrs. and SS energy: 0.000 (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: 470
Temperature: 1.000000
Total energy: -1068.666833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.666833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.666833 (E_RNA)
where:
Base-Base interactions energy: -744.182
where: short stacking energy: -308.778
Base-Backbone interact. energy: -1.327
local terms energy: -323.157931
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -64.285
flat angles C4'-P-C4' energy: -63.243
flat angles P-C4'-P energy: -50.550
tors. eta vs tors. theta energy: -89.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -999.916741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.916741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.916741 (E_RNA)
where:
Base-Base interactions energy: -706.204
where: short stacking energy: -302.386
Base-Backbone interact. energy: 0.577
local terms energy: -294.289840
where:
bonds (distance) C4'-P energy: -45.038
bonds (distance) P-C4' energy: -52.684
flat angles C4'-P-C4' energy: -64.505
flat angles P-C4'-P energy: -41.953
tors. eta vs tors. theta energy: -90.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -891.797707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.797707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.797707 (E_RNA)
where:
Base-Base interactions energy: -614.634
where: short stacking energy: -286.868
Base-Backbone interact. energy: -1.114
local terms energy: -276.049477
where:
bonds (distance) C4'-P energy: -52.285
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -67.426
flat angles P-C4'-P energy: -39.542
tors. eta vs tors. theta energy: -77.832
Dist. restrs. and SS energy: 0.000 (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: 470
Temperature: 1.150000
Total energy: -784.684824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.684824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.684824 (E_RNA)
where:
Base-Base interactions energy: -528.434
where: short stacking energy: -223.577
Base-Backbone interact. energy: 1.633
local terms energy: -257.883769
where:
bonds (distance) C4'-P energy: -51.414
bonds (distance) P-C4' energy: -52.665
flat angles C4'-P-C4' energy: -51.077
flat angles P-C4'-P energy: -33.419
tors. eta vs tors. theta energy: -69.310
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: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -773.797414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.797414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.797414 (E_RNA)
where:
Base-Base interactions energy: -515.356
where: short stacking energy: -226.207
Base-Backbone interact. energy: -1.644
local terms energy: -256.797242
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -59.941
flat angles C4'-P-C4' energy: -58.207
flat angles P-C4'-P energy: -40.106
tors. eta vs tors. theta energy: -55.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -737.662199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.662199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.662199 (E_RNA)
where:
Base-Base interactions energy: -486.450
where: short stacking energy: -229.680
Base-Backbone interact. energy: 0.628
local terms energy: -251.840022
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -58.283
flat angles C4'-P-C4' energy: -54.280
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: -64.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -607.863760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.863760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.863760 (E_RNA)
where:
Base-Base interactions energy: -399.286
where: short stacking energy: -181.227
Base-Backbone interact. energy: 0.511
local terms energy: -209.088486
where:
bonds (distance) C4'-P energy: -38.660
bonds (distance) P-C4' energy: -51.500
flat angles C4'-P-C4' energy: -53.092
flat angles P-C4'-P energy: -30.880
tors. eta vs tors. theta energy: -34.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -440.486811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.486811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.486811 (E_RNA)
where:
Base-Base interactions energy: -266.058
where: short stacking energy: -134.126
Base-Backbone interact. energy: 3.522
local terms energy: -177.951107
where:
bonds (distance) C4'-P energy: -50.044
bonds (distance) P-C4' energy: -56.539
flat angles C4'-P-C4' energy: -44.473
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -5.719
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: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1096.907902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.907902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.907902 (E_RNA)
where:
Base-Base interactions energy: -771.346
where: short stacking energy: -318.440
Base-Backbone interact. energy: -2.378
local terms energy: -323.183623
where:
bonds (distance) C4'-P energy: -62.550
bonds (distance) P-C4' energy: -56.890
flat angles C4'-P-C4' energy: -66.008
flat angles P-C4'-P energy: -51.884
tors. eta vs tors. theta energy: -85.850
Dist. restrs. and SS energy: 0.000 (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: 471
Temperature: 0.950000
Total energy: -1089.940587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.940587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.940587 (E_RNA)
where:
Base-Base interactions energy: -748.630
where: short stacking energy: -324.608
Base-Backbone interact. energy: -0.502
local terms energy: -340.808944
where:
bonds (distance) C4'-P energy: -57.422
bonds (distance) P-C4' energy: -61.002
flat angles C4'-P-C4' energy: -69.729
flat angles P-C4'-P energy: -51.790
tors. eta vs tors. theta energy: -100.867
Dist. restrs. and SS energy: 0.000 (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: 471
Temperature: 1.000000
Total energy: -1056.222198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.222198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.222198 (E_RNA)
where:
Base-Base interactions energy: -729.653
where: short stacking energy: -333.638
Base-Backbone interact. energy: -1.756
local terms energy: -324.812447
where:
bonds (distance) C4'-P energy: -56.819
bonds (distance) P-C4' energy: -58.941
flat angles C4'-P-C4' energy: -70.862
flat angles P-C4'-P energy: -45.060
tors. eta vs tors. theta energy: -93.130
Dist. restrs. and SS energy: 0.000 (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: 471
Temperature: 1.050000
Total energy: -997.677040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.677040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.677040 (E_RNA)
where:
Base-Base interactions energy: -682.898
where: short stacking energy: -293.079
Base-Backbone interact. energy: -0.272
local terms energy: -314.507172
where:
bonds (distance) C4'-P energy: -58.747
bonds (distance) P-C4' energy: -55.779
flat angles C4'-P-C4' energy: -63.861
flat angles P-C4'-P energy: -47.217
tors. eta vs tors. theta energy: -88.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -862.634157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.634157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.634157 (E_RNA)
where:
Base-Base interactions energy: -591.360
where: short stacking energy: -253.485
Base-Backbone interact. energy: -0.138
local terms energy: -271.135342
where:
bonds (distance) C4'-P energy: -56.893
bonds (distance) P-C4' energy: -60.956
flat angles C4'-P-C4' energy: -51.258
flat angles P-C4'-P energy: -36.831
tors. eta vs tors. theta energy: -65.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -809.547710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.547710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.547710 (E_RNA)
where:
Base-Base interactions energy: -532.286
where: short stacking energy: -236.403
Base-Backbone interact. energy: -1.622
local terms energy: -275.639214
where:
bonds (distance) C4'-P energy: -53.990
bonds (distance) P-C4' energy: -46.302
flat angles C4'-P-C4' energy: -67.727
flat angles P-C4'-P energy: -40.281
tors. eta vs tors. theta energy: -67.339
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: 7, replica: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -766.505565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.505565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.505565 (E_RNA)
where:
Base-Base interactions energy: -511.772
where: short stacking energy: -218.358
Base-Backbone interact. energy: 0.945
local terms energy: -255.678281
where:
bonds (distance) C4'-P energy: -48.133
bonds (distance) P-C4' energy: -52.738
flat angles C4'-P-C4' energy: -56.716
flat angles P-C4'-P energy: -44.116
tors. eta vs tors. theta energy: -53.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -702.874473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.874473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.874473 (E_RNA)
where:
Base-Base interactions energy: -457.630
where: short stacking energy: -199.065
Base-Backbone interact. energy: 0.493
local terms energy: -245.737734
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -56.228
flat angles C4'-P-C4' energy: -52.963
flat angles P-C4'-P energy: -37.065
tors. eta vs tors. theta energy: -38.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -604.357325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.357325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.357325 (E_RNA)
where:
Base-Base interactions energy: -368.163
where: short stacking energy: -175.271
Base-Backbone interact. energy: 0.914
local terms energy: -237.108801
where:
bonds (distance) C4'-P energy: -45.334
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -54.905
flat angles P-C4'-P energy: -39.279
tors. eta vs tors. theta energy: -41.702
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: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -468.834562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.834562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.834562 (E_RNA)
where:
Base-Base interactions energy: -285.561
where: short stacking energy: -149.550
Base-Backbone interact. energy: -2.563
local terms energy: -180.710386
where:
bonds (distance) C4'-P energy: -39.553
bonds (distance) P-C4' energy: -46.368
flat angles C4'-P-C4' energy: -55.269
flat angles P-C4'-P energy: -22.666
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.000 (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: 472
Temperature: 0.900000
Total energy: -1093.174307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.174307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.174307 (E_RNA)
where:
Base-Base interactions energy: -769.237
where: short stacking energy: -326.194
Base-Backbone interact. energy: -2.916
local terms energy: -321.021542
where:
bonds (distance) C4'-P energy: -57.479
bonds (distance) P-C4' energy: -63.051
flat angles C4'-P-C4' energy: -64.626
flat angles P-C4'-P energy: -44.060
tors. eta vs tors. theta energy: -91.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1067.914944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.914944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.914944 (E_RNA)
where:
Base-Base interactions energy: -736.254
where: short stacking energy: -318.855
Base-Backbone interact. energy: -0.115
local terms energy: -331.546197
where:
bonds (distance) C4'-P energy: -62.840
bonds (distance) P-C4' energy: -60.612
flat angles C4'-P-C4' energy: -60.978
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: -99.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1053.513189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.513189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.513189 (E_RNA)
where:
Base-Base interactions energy: -712.496
where: short stacking energy: -311.259
Base-Backbone interact. energy: -2.904
local terms energy: -338.112577
where:
bonds (distance) C4'-P energy: -71.648
bonds (distance) P-C4' energy: -58.649
flat angles C4'-P-C4' energy: -66.278
flat angles P-C4'-P energy: -49.005
tors. eta vs tors. theta energy: -92.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -986.804196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.804196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.804196 (E_RNA)
where:
Base-Base interactions energy: -682.606
where: short stacking energy: -286.282
Base-Backbone interact. energy: -0.573
local terms energy: -303.625869
where:
bonds (distance) C4'-P energy: -49.919
bonds (distance) P-C4' energy: -56.728
flat angles C4'-P-C4' energy: -64.388
flat angles P-C4'-P energy: -48.838
tors. eta vs tors. theta energy: -83.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -863.402560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.402560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.402560 (E_RNA)
where:
Base-Base interactions energy: -596.338
where: short stacking energy: -256.665
Base-Backbone interact. energy: -1.700
local terms energy: -265.364052
where:
bonds (distance) C4'-P energy: -47.212
bonds (distance) P-C4' energy: -58.737
flat angles C4'-P-C4' energy: -59.813
flat angles P-C4'-P energy: -37.841
tors. eta vs tors. theta energy: -61.760
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: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -800.810942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.810942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.810942 (E_RNA)
where:
Base-Base interactions energy: -535.612
where: short stacking energy: -231.281
Base-Backbone interact. energy: -1.090
local terms energy: -264.108699
where:
bonds (distance) C4'-P energy: -53.917
bonds (distance) P-C4' energy: -52.597
flat angles C4'-P-C4' energy: -58.884
flat angles P-C4'-P energy: -35.767
tors. eta vs tors. theta energy: -62.943
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: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -794.925533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.925533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.925533 (E_RNA)
where:
Base-Base interactions energy: -533.352
where: short stacking energy: -241.151
Base-Backbone interact. energy: -0.043
local terms energy: -261.531200
where:
bonds (distance) C4'-P energy: -56.482
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -50.462
flat angles P-C4'-P energy: -43.022
tors. eta vs tors. theta energy: -61.886
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: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -718.851899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.851899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.851899 (E_RNA)
where:
Base-Base interactions energy: -480.035
where: short stacking energy: -206.822
Base-Backbone interact. energy: 2.171
local terms energy: -240.987053
where:
bonds (distance) C4'-P energy: -50.957
bonds (distance) P-C4' energy: -59.087
flat angles C4'-P-C4' energy: -41.086
flat angles P-C4'-P energy: -37.435
tors. eta vs tors. theta energy: -52.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -603.493952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.493952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.493952 (E_RNA)
where:
Base-Base interactions energy: -406.824
where: short stacking energy: -160.862
Base-Backbone interact. energy: -0.603
local terms energy: -196.066834
where:
bonds (distance) C4'-P energy: -50.604
bonds (distance) P-C4' energy: -41.747
flat angles C4'-P-C4' energy: -56.549
flat angles P-C4'-P energy: -28.610
tors. eta vs tors. theta energy: -18.557
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: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -481.408318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.408318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.408318 (E_RNA)
where:
Base-Base interactions energy: -302.245
where: short stacking energy: -144.621
Base-Backbone interact. energy: 0.041
local terms energy: -179.205193
where:
bonds (distance) C4'-P energy: -35.385
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -54.135
flat angles P-C4'-P energy: -22.410
tors. eta vs tors. theta energy: -17.644
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: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1086.009523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.009523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.009523 (E_RNA)
where:
Base-Base interactions energy: -758.076
where: short stacking energy: -307.675
Base-Backbone interact. energy: -3.748
local terms energy: -324.184988
where:
bonds (distance) C4'-P energy: -53.078
bonds (distance) P-C4' energy: -62.433
flat angles C4'-P-C4' energy: -69.327
flat angles P-C4'-P energy: -50.770
tors. eta vs tors. theta energy: -88.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1057.201369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.201369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.201369 (E_RNA)
where:
Base-Base interactions energy: -740.183
where: short stacking energy: -332.052
Base-Backbone interact. energy: -0.837
local terms energy: -316.181108
where:
bonds (distance) C4'-P energy: -44.607
bonds (distance) P-C4' energy: -58.898
flat angles C4'-P-C4' energy: -71.987
flat angles P-C4'-P energy: -38.872
tors. eta vs tors. theta energy: -101.817
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: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1036.016533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.016533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.016533 (E_RNA)
where:
Base-Base interactions energy: -730.967
where: short stacking energy: -299.491
Base-Backbone interact. energy: -1.618
local terms energy: -303.430794
where:
bonds (distance) C4'-P energy: -55.577
bonds (distance) P-C4' energy: -52.311
flat angles C4'-P-C4' energy: -64.064
flat angles P-C4'-P energy: -41.788
tors. eta vs tors. theta energy: -89.690
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: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -958.606551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.606551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.606551 (E_RNA)
where:
Base-Base interactions energy: -665.079
where: short stacking energy: -282.226
Base-Backbone interact. energy: 0.644
local terms energy: -294.171793
where:
bonds (distance) C4'-P energy: -54.847
bonds (distance) P-C4' energy: -58.764
flat angles C4'-P-C4' energy: -62.329
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -81.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -885.386322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.386322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.386322 (E_RNA)
where:
Base-Base interactions energy: -600.785
where: short stacking energy: -264.980
Base-Backbone interact. energy: -1.449
local terms energy: -283.151571
where:
bonds (distance) C4'-P energy: -56.834
bonds (distance) P-C4' energy: -46.704
flat angles C4'-P-C4' energy: -64.924
flat angles P-C4'-P energy: -43.888
tors. eta vs tors. theta energy: -70.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -792.388478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.388478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.388478 (E_RNA)
where:
Base-Base interactions energy: -525.104
where: short stacking energy: -231.933
Base-Backbone interact. energy: -0.312
local terms energy: -266.972633
where:
bonds (distance) C4'-P energy: -57.958
bonds (distance) P-C4' energy: -52.858
flat angles C4'-P-C4' energy: -63.273
flat angles P-C4'-P energy: -30.219
tors. eta vs tors. theta energy: -62.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -821.042914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.042914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.042914 (E_RNA)
where:
Base-Base interactions energy: -545.832
where: short stacking energy: -231.170
Base-Backbone interact. energy: -0.940
local terms energy: -274.271069
where:
bonds (distance) C4'-P energy: -47.488
bonds (distance) P-C4' energy: -61.010
flat angles C4'-P-C4' energy: -61.520
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -69.203
Dist. restrs. and SS energy: 0.000 (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: 473
Temperature: 1.250000
Total energy: -692.861857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.861857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.861857 (E_RNA)
where:
Base-Base interactions energy: -453.985
where: short stacking energy: -206.283
Base-Backbone interact. energy: 0.943
local terms energy: -239.819831
where:
bonds (distance) C4'-P energy: -49.207
bonds (distance) P-C4' energy: -42.184
flat angles C4'-P-C4' energy: -54.104
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -55.814
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: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -689.980420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.980420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.980420 (E_RNA)
where:
Base-Base interactions energy: -453.202
where: short stacking energy: -208.660
Base-Backbone interact. energy: -2.057
local terms energy: -234.721946
where:
bonds (distance) C4'-P energy: -49.698
bonds (distance) P-C4' energy: -51.154
flat angles C4'-P-C4' energy: -52.113
flat angles P-C4'-P energy: -35.097
tors. eta vs tors. theta energy: -46.660
Dist. restrs. and SS energy: 0.000 (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: 473
Temperature: 1.350000
Total energy: -448.321783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.321783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.321783 (E_RNA)
where:
Base-Base interactions energy: -274.048
where: short stacking energy: -131.473
Base-Backbone interact. energy: -0.410
local terms energy: -173.863867
where:
bonds (distance) C4'-P energy: -45.889
bonds (distance) P-C4' energy: -39.177
flat angles C4'-P-C4' energy: -48.560
flat angles P-C4'-P energy: -36.992
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (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: 474
Temperature: 0.900000
Total energy: -1067.359377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.359377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.359377 (E_RNA)
where:
Base-Base interactions energy: -756.672
where: short stacking energy: -331.148
Base-Backbone interact. energy: 0.385
local terms energy: -311.071780
where:
bonds (distance) C4'-P energy: -53.315
bonds (distance) P-C4' energy: -58.739
flat angles C4'-P-C4' energy: -60.486
flat angles P-C4'-P energy: -45.096
tors. eta vs tors. theta energy: -93.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1079.203465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.203465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.203465 (E_RNA)
where:
Base-Base interactions energy: -758.472
where: short stacking energy: -310.298
Base-Backbone interact. energy: -2.000
local terms energy: -318.731703
where:
bonds (distance) C4'-P energy: -62.383
bonds (distance) P-C4' energy: -63.283
flat angles C4'-P-C4' energy: -63.444
flat angles P-C4'-P energy: -41.158
tors. eta vs tors. theta energy: -88.463
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: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1050.469962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.469962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.469962 (E_RNA)
where:
Base-Base interactions energy: -720.405
where: short stacking energy: -316.233
Base-Backbone interact. energy: -0.777
local terms energy: -329.288601
where:
bonds (distance) C4'-P energy: -69.739
bonds (distance) P-C4' energy: -65.762
flat angles C4'-P-C4' energy: -60.647
flat angles P-C4'-P energy: -41.241
tors. eta vs tors. theta energy: -91.900
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: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -974.795729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.795729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.795729 (E_RNA)
where:
Base-Base interactions energy: -661.897
where: short stacking energy: -278.635
Base-Backbone interact. energy: -2.437
local terms energy: -310.461697
where:
bonds (distance) C4'-P energy: -63.478
bonds (distance) P-C4' energy: -57.189
flat angles C4'-P-C4' energy: -66.130
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -84.450
Dist. restrs. and SS energy: 0.000 (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: 474
Temperature: 1.100000
Total energy: -906.611815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.611815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.611815 (E_RNA)
where:
Base-Base interactions energy: -634.797
where: short stacking energy: -262.831
Base-Backbone interact. energy: -1.480
local terms energy: -270.335697
where:
bonds (distance) C4'-P energy: -51.278
bonds (distance) P-C4' energy: -47.715
flat angles C4'-P-C4' energy: -59.999
flat angles P-C4'-P energy: -42.723
tors. eta vs tors. theta energy: -68.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -793.205677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.205677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.205677 (E_RNA)
where:
Base-Base interactions energy: -521.215
where: short stacking energy: -223.751
Base-Backbone interact. energy: 0.030
local terms energy: -272.020861
where:
bonds (distance) C4'-P energy: -56.876
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: -61.412
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: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -758.951678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.951678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.951678 (E_RNA)
where:
Base-Base interactions energy: -513.861
where: short stacking energy: -226.046
Base-Backbone interact. energy: -0.596
local terms energy: -244.494947
where:
bonds (distance) C4'-P energy: -52.441
bonds (distance) P-C4' energy: -50.559
flat angles C4'-P-C4' energy: -57.982
flat angles P-C4'-P energy: -23.807
tors. eta vs tors. theta energy: -59.706
Dist. restrs. and SS energy: 0.000 (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: 474
Temperature: 1.250000
Total energy: -676.040577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.040577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.040577 (E_RNA)
where:
Base-Base interactions energy: -447.786
where: short stacking energy: -210.582
Base-Backbone interact. energy: 4.407
local terms energy: -232.661565
where:
bonds (distance) C4'-P energy: -48.475
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -26.375
tors. eta vs tors. theta energy: -53.518
Dist. restrs. and SS energy: 0.000 (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: 474
Temperature: 1.300000
Total energy: -646.861217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.861217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.861217 (E_RNA)
where:
Base-Base interactions energy: -419.419
where: short stacking energy: -182.792
Base-Backbone interact. energy: -0.741
local terms energy: -226.701459
where:
bonds (distance) C4'-P energy: -41.838
bonds (distance) P-C4' energy: -55.898
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -28.980
Dist. restrs. and SS energy: 0.000 (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: 474
Temperature: 1.350000
Total energy: -462.949843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.949843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.949843 (E_RNA)
where:
Base-Base interactions energy: -271.118
where: short stacking energy: -119.340
Base-Backbone interact. energy: -0.381
local terms energy: -191.450556
where:
bonds (distance) C4'-P energy: -40.062
bonds (distance) P-C4' energy: -54.768
flat angles C4'-P-C4' energy: -43.489
flat angles P-C4'-P energy: -35.894
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1084.722823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.722823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.722823 (E_RNA)
where:
Base-Base interactions energy: -750.246
where: short stacking energy: -316.677
Base-Backbone interact. energy: -1.282
local terms energy: -333.194250
where:
bonds (distance) C4'-P energy: -62.844
bonds (distance) P-C4' energy: -55.601
flat angles C4'-P-C4' energy: -72.714
flat angles P-C4'-P energy: -49.223
tors. eta vs tors. theta energy: -92.813
Dist. restrs. and SS energy: 0.000 (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: 475
Temperature: 0.950000
Total energy: -1068.003343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.003343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.003343 (E_RNA)
where:
Base-Base interactions energy: -737.600
where: short stacking energy: -326.759
Base-Backbone interact. energy: -0.587
local terms energy: -329.816115
where:
bonds (distance) C4'-P energy: -52.864
bonds (distance) P-C4' energy: -65.743
flat angles C4'-P-C4' energy: -63.116
flat angles P-C4'-P energy: -51.165
tors. eta vs tors. theta energy: -96.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1055.972957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.972957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.972957 (E_RNA)
where:
Base-Base interactions energy: -756.401
where: short stacking energy: -314.739
Base-Backbone interact. energy: -1.278
local terms energy: -298.293965
where:
bonds (distance) C4'-P energy: -53.038
bonds (distance) P-C4' energy: -57.676
flat angles C4'-P-C4' energy: -64.961
flat angles P-C4'-P energy: -37.714
tors. eta vs tors. theta energy: -84.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -971.673355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.673355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.673355 (E_RNA)
where:
Base-Base interactions energy: -661.780
where: short stacking energy: -284.611
Base-Backbone interact. energy: -1.433
local terms energy: -308.460711
where:
bonds (distance) C4'-P energy: -58.028
bonds (distance) P-C4' energy: -64.568
flat angles C4'-P-C4' energy: -65.992
flat angles P-C4'-P energy: -43.468
tors. eta vs tors. theta energy: -76.404
Dist. restrs. and SS energy: 0.000 (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: 475
Temperature: 1.100000
Total energy: -866.404175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.404175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.404175 (E_RNA)
where:
Base-Base interactions energy: -588.662
where: short stacking energy: -262.338
Base-Backbone interact. energy: -1.057
local terms energy: -276.684897
where:
bonds (distance) C4'-P energy: -53.419
bonds (distance) P-C4' energy: -49.996
flat angles C4'-P-C4' energy: -60.546
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -68.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -791.425941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.425941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.425941 (E_RNA)
where:
Base-Base interactions energy: -529.434
where: short stacking energy: -239.221
Base-Backbone interact. energy: -0.417
local terms energy: -261.575332
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -59.312
flat angles C4'-P-C4' energy: -59.637
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -59.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -787.662442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.662442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.662442 (E_RNA)
where:
Base-Base interactions energy: -506.519
where: short stacking energy: -230.881
Base-Backbone interact. energy: -0.760
local terms energy: -280.383872
where:
bonds (distance) C4'-P energy: -55.830
bonds (distance) P-C4' energy: -57.675
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -38.038
tors. eta vs tors. theta energy: -66.986
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: 8, replica: 9
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -675.188716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.188716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.188716 (E_RNA)
where:
Base-Base interactions energy: -428.664
where: short stacking energy: -207.206
Base-Backbone interact. energy: -1.593
local terms energy: -244.931271
where:
bonds (distance) C4'-P energy: -48.340
bonds (distance) P-C4' energy: -56.725
flat angles C4'-P-C4' energy: -64.724
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -41.347
Dist. restrs. and SS energy: 0.000 (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: 475
Temperature: 1.300000
Total energy: -669.817861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.817861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.817861 (E_RNA)
where:
Base-Base interactions energy: -451.335
where: short stacking energy: -201.489
Base-Backbone interact. energy: -1.926
local terms energy: -216.556680
where:
bonds (distance) C4'-P energy: -34.066
bonds (distance) P-C4' energy: -49.185
flat angles C4'-P-C4' energy: -54.031
flat angles P-C4'-P energy: -38.890
tors. eta vs tors. theta energy: -40.384
Dist. restrs. and SS energy: 0.000 (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: 475
Temperature: 1.350000
Total energy: -450.154236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.154236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.154236 (E_RNA)
where:
Base-Base interactions energy: -257.116
where: short stacking energy: -138.572
Base-Backbone interact. energy: -0.851
local terms energy: -192.186982
where:
bonds (distance) C4'-P energy: -51.976
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -47.531
flat angles P-C4'-P energy: -27.169
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (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: 476
Temperature: 0.900000
Total energy: -1096.967512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.967512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.967512 (E_RNA)
where:
Base-Base interactions energy: -767.339
where: short stacking energy: -332.375
Base-Backbone interact. energy: -1.043
local terms energy: -328.585657
where:
bonds (distance) C4'-P energy: -55.803
bonds (distance) P-C4' energy: -67.571
flat angles C4'-P-C4' energy: -66.895
flat angles P-C4'-P energy: -43.254
tors. eta vs tors. theta energy: -95.063
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: 10
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1082.404567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.404567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.404567 (E_RNA)
where:
Base-Base interactions energy: -754.280
where: short stacking energy: -330.676
Base-Backbone interact. energy: -0.643
local terms energy: -327.482057
where:
bonds (distance) C4'-P energy: -57.687
bonds (distance) P-C4' energy: -55.495
flat angles C4'-P-C4' energy: -66.770
flat angles P-C4'-P energy: -51.243
tors. eta vs tors. theta energy: -96.287
Dist. restrs. and SS energy: 0.000 (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: 476
Temperature: 1.000000
Total energy: -1050.676178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.676178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.676178 (E_RNA)
where:
Base-Base interactions energy: -738.154
where: short stacking energy: -291.184
Base-Backbone interact. energy: -2.131
local terms energy: -310.391174
where:
bonds (distance) C4'-P energy: -60.272
bonds (distance) P-C4' energy: -66.784
flat angles C4'-P-C4' energy: -65.941
flat angles P-C4'-P energy: -33.040
tors. eta vs tors. theta energy: -84.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -932.177026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.177026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.177026 (E_RNA)
where:
Base-Base interactions energy: -629.406
where: short stacking energy: -284.280
Base-Backbone interact. energy: -0.615
local terms energy: -302.155811
where:
bonds (distance) C4'-P energy: -45.586
bonds (distance) P-C4' energy: -62.872
flat angles C4'-P-C4' energy: -65.232
flat angles P-C4'-P energy: -46.515
tors. eta vs tors. theta energy: -81.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -845.581651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.581651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.581651 (E_RNA)
where:
Base-Base interactions energy: -563.822
where: short stacking energy: -234.292
Base-Backbone interact. energy: -0.074
local terms energy: -281.686259
where:
bonds (distance) C4'-P energy: -57.270
bonds (distance) P-C4' energy: -57.349
flat angles C4'-P-C4' energy: -63.114
flat angles P-C4'-P energy: -38.200
tors. eta vs tors. theta energy: -65.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -800.109578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.109578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.109578 (E_RNA)
where:
Base-Base interactions energy: -529.008
where: short stacking energy: -232.701
Base-Backbone interact. energy: -2.092
local terms energy: -269.010378
where:
bonds (distance) C4'-P energy: -61.109
bonds (distance) P-C4' energy: -62.801
flat angles C4'-P-C4' energy: -62.461
flat angles P-C4'-P energy: -25.545
tors. eta vs tors. theta energy: -57.093
Dist. restrs. and SS energy: 0.000 (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: 476
Temperature: 1.200000
Total energy: -758.198206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.198206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.198206 (E_RNA)
where:
Base-Base interactions energy: -521.448
where: short stacking energy: -217.987
Base-Backbone interact. energy: -1.206
local terms energy: -235.545132
where:
bonds (distance) C4'-P energy: -56.580
bonds (distance) P-C4' energy: -41.511
flat angles C4'-P-C4' energy: -59.856
flat angles P-C4'-P energy: -31.178
tors. eta vs tors. theta energy: -46.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -694.957281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.957281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.957281 (E_RNA)
where:
Base-Base interactions energy: -461.613
where: short stacking energy: -202.438
Base-Backbone interact. energy: -1.168
local terms energy: -232.176795
where:
bonds (distance) C4'-P energy: -55.920
bonds (distance) P-C4' energy: -54.793
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -42.283
tors. eta vs tors. theta energy: -35.901
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: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -701.408441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.408441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.408441 (E_RNA)
where:
Base-Base interactions energy: -466.661
where: short stacking energy: -195.395
Base-Backbone interact. energy: 1.115
local terms energy: -235.862120
where:
bonds (distance) C4'-P energy: -47.750
bonds (distance) P-C4' energy: -50.601
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -465.164749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.164749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.164749 (E_RNA)
where:
Base-Base interactions energy: -273.569
where: short stacking energy: -136.104
Base-Backbone interact. energy: -1.176
local terms energy: -190.419334
where:
bonds (distance) C4'-P energy: -49.699
bonds (distance) P-C4' energy: -56.262
flat angles C4'-P-C4' energy: -52.270
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1098.909909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.909909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.909909 (E_RNA)
where:
Base-Base interactions energy: -754.243
where: short stacking energy: -325.920
Base-Backbone interact. energy: -0.861
local terms energy: -343.805893
where:
bonds (distance) C4'-P energy: -60.167
bonds (distance) P-C4' energy: -62.394
flat angles C4'-P-C4' energy: -73.517
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: -101.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1077.327561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.327561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.327561 (E_RNA)
where:
Base-Base interactions energy: -780.133
where: short stacking energy: -325.030
Base-Backbone interact. energy: 1.077
local terms energy: -298.271486
where:
bonds (distance) C4'-P energy: -55.264
bonds (distance) P-C4' energy: -51.608
flat angles C4'-P-C4' energy: -63.056
flat angles P-C4'-P energy: -44.155
tors. eta vs tors. theta energy: -84.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1056.561339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.561339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.561339 (E_RNA)
where:
Base-Base interactions energy: -728.167
where: short stacking energy: -330.637
Base-Backbone interact. energy: -0.244
local terms energy: -328.150482
where:
bonds (distance) C4'-P energy: -59.156
bonds (distance) P-C4' energy: -57.240
flat angles C4'-P-C4' energy: -64.975
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -104.086
Dist. restrs. and SS energy: 0.000 (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: 477
Temperature: 1.050000
Total energy: -940.294300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.294300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.294300 (E_RNA)
where:
Base-Base interactions energy: -630.623
where: short stacking energy: -283.481
Base-Backbone interact. energy: -1.288
local terms energy: -308.383040
where:
bonds (distance) C4'-P energy: -52.757
bonds (distance) P-C4' energy: -55.393
flat angles C4'-P-C4' energy: -72.498
flat angles P-C4'-P energy: -49.439
tors. eta vs tors. theta energy: -78.296
Dist. restrs. and SS energy: 0.000 (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: 477
Temperature: 1.100000
Total energy: -853.755834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.755834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.755834 (E_RNA)
where:
Base-Base interactions energy: -592.150
where: short stacking energy: -247.058
Base-Backbone interact. energy: -0.810
local terms energy: -260.795963
where:
bonds (distance) C4'-P energy: -40.944
bonds (distance) P-C4' energy: -49.509
flat angles C4'-P-C4' energy: -56.138
flat angles P-C4'-P energy: -40.345
tors. eta vs tors. theta energy: -73.861
Dist. restrs. and SS energy: 0.000 (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: 477
Temperature: 1.150000
Total energy: -797.297158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.297158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.297158 (E_RNA)
where:
Base-Base interactions energy: -537.122
where: short stacking energy: -222.635
Base-Backbone interact. energy: -0.840
local terms energy: -259.335169
where:
bonds (distance) C4'-P energy: -50.773
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -67.062
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: -58.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -775.089591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.089591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.089591 (E_RNA)
where:
Base-Base interactions energy: -525.165
where: short stacking energy: -220.660
Base-Backbone interact. energy: 0.653
local terms energy: -250.576680
where:
bonds (distance) C4'-P energy: -56.297
bonds (distance) P-C4' energy: -50.270
flat angles C4'-P-C4' energy: -58.891
flat angles P-C4'-P energy: -32.101
tors. eta vs tors. theta energy: -53.018
Dist. restrs. and SS energy: 0.000 (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: 477
Temperature: 1.250000
Total energy: -705.791158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.791158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.791158 (E_RNA)
where:
Base-Base interactions energy: -458.868
where: short stacking energy: -186.588
Base-Backbone interact. energy: -2.079
local terms energy: -244.843275
where:
bonds (distance) C4'-P energy: -50.422
bonds (distance) P-C4' energy: -55.290
flat angles C4'-P-C4' energy: -57.915
flat angles P-C4'-P energy: -42.450
tors. eta vs tors. theta energy: -38.767
Dist. restrs. and SS energy: 0.000 (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: 477
Temperature: 1.300000
Total energy: -646.229417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.229417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.229417 (E_RNA)
where:
Base-Base interactions energy: -437.750
where: short stacking energy: -192.056
Base-Backbone interact. energy: -1.367
local terms energy: -207.112489
where:
bonds (distance) C4'-P energy: -52.871
bonds (distance) P-C4' energy: -48.379
flat angles C4'-P-C4' energy: -45.900
flat angles P-C4'-P energy: -25.853
tors. eta vs tors. theta energy: -34.111
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: 10, replica: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -456.389052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.389052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.389052 (E_RNA)
where:
Base-Base interactions energy: -277.997
where: short stacking energy: -127.145
Base-Backbone interact. energy: 0.570
local terms energy: -178.962373
where:
bonds (distance) C4'-P energy: -44.228
bonds (distance) P-C4' energy: -49.377
flat angles C4'-P-C4' energy: -56.520
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -5.986
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: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1074.504267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.504267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.504267 (E_RNA)
where:
Base-Base interactions energy: -766.840
where: short stacking energy: -321.232
Base-Backbone interact. energy: -0.653
local terms energy: -307.011597
where:
bonds (distance) C4'-P energy: -51.967
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -70.702
flat angles P-C4'-P energy: -37.682
tors. eta vs tors. theta energy: -84.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1084.323138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.323138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.323138 (E_RNA)
where:
Base-Base interactions energy: -763.536
where: short stacking energy: -321.819
Base-Backbone interact. energy: -1.465
local terms energy: -319.322029
where:
bonds (distance) C4'-P energy: -48.843
bonds (distance) P-C4' energy: -60.697
flat angles C4'-P-C4' energy: -69.338
flat angles P-C4'-P energy: -47.117
tors. eta vs tors. theta energy: -93.328
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: 3, replica: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1044.025129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.025129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.025129 (E_RNA)
where:
Base-Base interactions energy: -714.041
where: short stacking energy: -316.694
Base-Backbone interact. energy: -0.360
local terms energy: -329.624163
where:
bonds (distance) C4'-P energy: -45.245
bonds (distance) P-C4' energy: -65.659
flat angles C4'-P-C4' energy: -70.268
flat angles P-C4'-P energy: -46.012
tors. eta vs tors. theta energy: -102.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -945.911340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.911340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.911340 (E_RNA)
where:
Base-Base interactions energy: -638.567
where: short stacking energy: -284.904
Base-Backbone interact. energy: -1.607
local terms energy: -305.738177
where:
bonds (distance) C4'-P energy: -51.248
bonds (distance) P-C4' energy: -64.014
flat angles C4'-P-C4' energy: -66.977
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -89.267
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: 5, replica: 3
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -841.720772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.720772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.720772 (E_RNA)
where:
Base-Base interactions energy: -568.463
where: short stacking energy: -250.537
Base-Backbone interact. energy: -1.011
local terms energy: -272.247221
where:
bonds (distance) C4'-P energy: -47.264
bonds (distance) P-C4' energy: -44.940
flat angles C4'-P-C4' energy: -61.312
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -76.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -846.688217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.688217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.688217 (E_RNA)
where:
Base-Base interactions energy: -580.057
where: short stacking energy: -257.337
Base-Backbone interact. energy: -0.978
local terms energy: -265.652706
where:
bonds (distance) C4'-P energy: -41.979
bonds (distance) P-C4' energy: -60.221
flat angles C4'-P-C4' energy: -67.483
flat angles P-C4'-P energy: -31.494
tors. eta vs tors. theta energy: -64.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -781.359648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.359648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.359648 (E_RNA)
where:
Base-Base interactions energy: -553.747
where: short stacking energy: -224.019
Base-Backbone interact. energy: -1.150
local terms energy: -226.462944
where:
bonds (distance) C4'-P energy: -50.172
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -54.463
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -45.684
Dist. restrs. and SS energy: 0.000 (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: 478
Temperature: 1.250000
Total energy: -681.526171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.526171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.526171 (E_RNA)
where:
Base-Base interactions energy: -465.087
where: short stacking energy: -198.519
Base-Backbone interact. energy: 0.891
local terms energy: -217.330002
where:
bonds (distance) C4'-P energy: -44.100
bonds (distance) P-C4' energy: -48.098
flat angles C4'-P-C4' energy: -44.586
flat angles P-C4'-P energy: -31.320
tors. eta vs tors. theta energy: -49.226
Dist. restrs. and SS energy: 0.000 (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: 478
Temperature: 1.300000
Total energy: -655.136391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.136391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.136391 (E_RNA)
where:
Base-Base interactions energy: -437.723
where: short stacking energy: -179.619
Base-Backbone interact. energy: -1.641
local terms energy: -215.772959
where:
bonds (distance) C4'-P energy: -37.434
bonds (distance) P-C4' energy: -55.156
flat angles C4'-P-C4' energy: -55.108
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -29.371
Dist. restrs. and SS energy: 0.000 (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: 478
Temperature: 1.350000
Total energy: -474.148177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.148177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.148177 (E_RNA)
where:
Base-Base interactions energy: -288.538
where: short stacking energy: -145.150
Base-Backbone interact. energy: 2.247
local terms energy: -187.857258
where:
bonds (distance) C4'-P energy: -52.424
bonds (distance) P-C4' energy: -56.229
flat angles C4'-P-C4' energy: -30.831
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: 0.000 (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: 479
Temperature: 0.900000
Total energy: -1107.741736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.741736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.741736 (E_RNA)
where:
Base-Base interactions energy: -781.115
where: short stacking energy: -318.305
Base-Backbone interact. energy: -2.214
local terms energy: -324.412786
where:
bonds (distance) C4'-P energy: -59.504
bonds (distance) P-C4' energy: -69.272
flat angles C4'-P-C4' energy: -67.606
flat angles P-C4'-P energy: -44.112
tors. eta vs tors. theta energy: -83.919
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: 479
Temperature: 0.950000
Total energy: -1074.327012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.327012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.327012 (E_RNA)
where:
Base-Base interactions energy: -751.900
where: short stacking energy: -304.929
Base-Backbone interact. energy: -0.700
local terms energy: -321.726339
where:
bonds (distance) C4'-P energy: -66.198
bonds (distance) P-C4' energy: -61.500
flat angles C4'-P-C4' energy: -63.653
flat angles P-C4'-P energy: -39.149
tors. eta vs tors. theta energy: -91.228
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: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1038.640783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.640783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.640783 (E_RNA)
where:
Base-Base interactions energy: -727.543
where: short stacking energy: -319.850
Base-Backbone interact. energy: -1.080
local terms energy: -310.018197
where:
bonds (distance) C4'-P energy: -52.204
bonds (distance) P-C4' energy: -67.138
flat angles C4'-P-C4' energy: -62.387
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -90.207
Dist. restrs. and SS energy: 0.000 (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: 479
Temperature: 1.050000
Total energy: -942.737708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.737708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.737708 (E_RNA)
where:
Base-Base interactions energy: -642.216
where: short stacking energy: -290.564
Base-Backbone interact. energy: -0.097
local terms energy: -300.424633
where:
bonds (distance) C4'-P energy: -53.184
bonds (distance) P-C4' energy: -52.303
flat angles C4'-P-C4' energy: -57.704
flat angles P-C4'-P energy: -47.153
tors. eta vs tors. theta energy: -90.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -826.506835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.506835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.506835 (E_RNA)
where:
Base-Base interactions energy: -561.171
where: short stacking energy: -234.169
Base-Backbone interact. energy: -2.266
local terms energy: -263.069819
where:
bonds (distance) C4'-P energy: -53.035
bonds (distance) P-C4' energy: -55.269
flat angles C4'-P-C4' energy: -52.370
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: -59.045
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: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -859.487696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.487696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.487696 (E_RNA)
where:
Base-Base interactions energy: -589.065
where: short stacking energy: -257.547
Base-Backbone interact. energy: 1.823
local terms energy: -272.246079
where:
bonds (distance) C4'-P energy: -59.820
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -58.049
flat angles P-C4'-P energy: -35.712
tors. eta vs tors. theta energy: -65.132
Dist. restrs. and SS energy: 0.000 (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: 479
Temperature: 1.200000
Total energy: -809.189829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.189829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.189829 (E_RNA)
where:
Base-Base interactions energy: -534.263
where: short stacking energy: -233.103
Base-Backbone interact. energy: -1.096
local terms energy: -273.830743
where:
bonds (distance) C4'-P energy: -61.244
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -56.167
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -64.444
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: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -688.521290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.521290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.521290 (E_RNA)
where:
Base-Base interactions energy: -448.951
where: short stacking energy: -206.881
Base-Backbone interact. energy: -0.707
local terms energy: -238.862836
where:
bonds (distance) C4'-P energy: -44.212
bonds (distance) P-C4' energy: -50.982
flat angles C4'-P-C4' energy: -48.803
flat angles P-C4'-P energy: -45.071
tors. eta vs tors. theta energy: -49.794
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: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -666.410434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.410434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.410434 (E_RNA)
where:
Base-Base interactions energy: -445.335
where: short stacking energy: -191.928
Base-Backbone interact. energy: -1.850
local terms energy: -219.225818
where:
bonds (distance) C4'-P energy: -48.577
bonds (distance) P-C4' energy: -52.523
flat angles C4'-P-C4' energy: -41.011
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -46.456
Dist. restrs. and SS energy: 0.000 (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: 479
Temperature: 1.350000
Total energy: -449.142913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.142913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.142913 (E_RNA)
where:
Base-Base interactions energy: -267.541
where: short stacking energy: -124.865
Base-Backbone interact. energy: -0.291
local terms energy: -181.310318
where:
bonds (distance) C4'-P energy: -41.307
bonds (distance) P-C4' energy: -53.310
flat angles C4'-P-C4' energy: -46.757
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: -9.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1109.807371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.807371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.807371 (E_RNA)
where:
Base-Base interactions energy: -774.709
where: short stacking energy: -311.377
Base-Backbone interact. energy: -3.037
local terms energy: -332.062308
where:
bonds (distance) C4'-P energy: -61.195
bonds (distance) P-C4' energy: -58.031
flat angles C4'-P-C4' energy: -71.863
flat angles P-C4'-P energy: -55.123
tors. eta vs tors. theta energy: -85.850
Dist. restrs. and SS energy: 0.000 (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: 480
Temperature: 0.950000
Total energy: -1071.298333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.298333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.298333 (E_RNA)
where:
Base-Base interactions energy: -750.726
where: short stacking energy: -318.541
Base-Backbone interact. energy: -0.147
local terms energy: -320.425515
where:
bonds (distance) C4'-P energy: -58.375
bonds (distance) P-C4' energy: -67.231
flat angles C4'-P-C4' energy: -65.596
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -89.947
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: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1045.377699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.377699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.377699 (E_RNA)
where:
Base-Base interactions energy: -731.411
where: short stacking energy: -315.597
Base-Backbone interact. energy: 0.695
local terms energy: -314.661721
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -57.373
flat angles P-C4'-P energy: -45.116
tors. eta vs tors. theta energy: -96.118
Dist. restrs. and SS energy: 0.000 (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: 480
Temperature: 1.050000
Total energy: -949.795125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.795125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.795125 (E_RNA)
where:
Base-Base interactions energy: -662.868
where: short stacking energy: -304.198
Base-Backbone interact. energy: -0.393
local terms energy: -286.533393
where:
bonds (distance) C4'-P energy: -53.966
bonds (distance) P-C4' energy: -45.331
flat angles C4'-P-C4' energy: -60.685
flat angles P-C4'-P energy: -44.892
tors. eta vs tors. theta energy: -81.659
Dist. restrs. and SS energy: 0.000 (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: 480
Temperature: 1.100000
Total energy: -880.970640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.970640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.970640 (E_RNA)
where:
Base-Base interactions energy: -606.210
where: short stacking energy: -262.012
Base-Backbone interact. energy: -0.327
local terms energy: -274.434146
where:
bonds (distance) C4'-P energy: -61.091
bonds (distance) P-C4' energy: -51.967
flat angles C4'-P-C4' energy: -56.119
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -61.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -827.440707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.440707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.440707 (E_RNA)
where:
Base-Base interactions energy: -540.149
where: short stacking energy: -238.420
Base-Backbone interact. energy: -0.602
local terms energy: -286.690527
where:
bonds (distance) C4'-P energy: -58.157
bonds (distance) P-C4' energy: -67.102
flat angles C4'-P-C4' energy: -61.664
flat angles P-C4'-P energy: -32.138
tors. eta vs tors. theta energy: -67.630
Dist. restrs. and SS energy: 0.000 (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: 480
Temperature: 1.200000
Total energy: -789.273887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.273887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.273887 (E_RNA)
where:
Base-Base interactions energy: -519.147
where: short stacking energy: -238.884
Base-Backbone interact. energy: 0.070
local terms energy: -270.197040
where:
bonds (distance) C4'-P energy: -53.338
bonds (distance) P-C4' energy: -60.493
flat angles C4'-P-C4' energy: -50.961
flat angles P-C4'-P energy: -44.857
tors. eta vs tors. theta energy: -60.548
Dist. restrs. and SS energy: 0.000 (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: 480
Temperature: 1.250000
Total energy: -727.206597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.206597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.206597 (E_RNA)
where:
Base-Base interactions energy: -470.638
where: short stacking energy: -199.625
Base-Backbone interact. energy: -0.710
local terms energy: -255.858047
where:
bonds (distance) C4'-P energy: -47.726
bonds (distance) P-C4' energy: -59.285
flat angles C4'-P-C4' energy: -55.574
flat angles P-C4'-P energy: -42.238
tors. eta vs tors. theta energy: -51.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -638.552484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.552484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.552484 (E_RNA)
where:
Base-Base interactions energy: -427.326
where: short stacking energy: -172.489
Base-Backbone interact. energy: 1.293
local terms energy: -212.519560
where:
bonds (distance) C4'-P energy: -45.960
bonds (distance) P-C4' energy: -57.499
flat angles C4'-P-C4' energy: -47.097
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -40.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -460.022536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.022536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.022536 (E_RNA)
where:
Base-Base interactions energy: -287.608
where: short stacking energy: -135.554
Base-Backbone interact. energy: -0.335
local terms energy: -172.079064
where:
bonds (distance) C4'-P energy: -36.926
bonds (distance) P-C4' energy: -47.183
flat angles C4'-P-C4' energy: -54.486
flat angles P-C4'-P energy: -27.962
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1083.412894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.412894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.412894 (E_RNA)
where:
Base-Base interactions energy: -772.568
where: short stacking energy: -309.719
Base-Backbone interact. energy: -1.642
local terms energy: -309.202338
where:
bonds (distance) C4'-P energy: -49.532
bonds (distance) P-C4' energy: -62.546
flat angles C4'-P-C4' energy: -67.126
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -82.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1071.482157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.482157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.482157 (E_RNA)
where:
Base-Base interactions energy: -736.629
where: short stacking energy: -338.429
Base-Backbone interact. energy: -1.126
local terms energy: -333.727418
where:
bonds (distance) C4'-P energy: -57.135
bonds (distance) P-C4' energy: -61.479
flat angles C4'-P-C4' energy: -65.290
flat angles P-C4'-P energy: -51.061
tors. eta vs tors. theta energy: -98.762
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: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1048.865524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.865524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.865524 (E_RNA)
where:
Base-Base interactions energy: -720.915
where: short stacking energy: -317.788
Base-Backbone interact. energy: 1.380
local terms energy: -329.331238
where:
bonds (distance) C4'-P energy: -59.327
bonds (distance) P-C4' energy: -61.528
flat angles C4'-P-C4' energy: -64.542
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -97.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -949.212625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.212625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.212625 (E_RNA)
where:
Base-Base interactions energy: -645.966
where: short stacking energy: -281.363
Base-Backbone interact. energy: -2.008
local terms energy: -301.238871
where:
bonds (distance) C4'-P energy: -55.788
bonds (distance) P-C4' energy: -58.823
flat angles C4'-P-C4' energy: -66.608
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: -75.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -870.378261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.378261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.378261 (E_RNA)
where:
Base-Base interactions energy: -603.725
where: short stacking energy: -256.958
Base-Backbone interact. energy: -0.688
local terms energy: -265.964842
where:
bonds (distance) C4'-P energy: -59.313
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -59.164
flat angles P-C4'-P energy: -43.987
tors. eta vs tors. theta energy: -58.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -800.496808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.496808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.496808 (E_RNA)
where:
Base-Base interactions energy: -538.297
where: short stacking energy: -224.794
Base-Backbone interact. energy: 0.019
local terms energy: -262.218878
where:
bonds (distance) C4'-P energy: -51.641
bonds (distance) P-C4' energy: -56.744
flat angles C4'-P-C4' energy: -59.311
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -63.779
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: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -787.589292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.589292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.589292 (E_RNA)
where:
Base-Base interactions energy: -507.641
where: short stacking energy: -229.810
Base-Backbone interact. energy: -0.906
local terms energy: -279.042714
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -65.453
flat angles P-C4'-P energy: -41.618
tors. eta vs tors. theta energy: -60.093
Dist. restrs. and SS energy: 0.000 (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: 481
Temperature: 1.250000
Total energy: -660.899875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.899875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.899875 (E_RNA)
where:
Base-Base interactions energy: -428.430
where: short stacking energy: -204.723
Base-Backbone interact. energy: 0.542
local terms energy: -233.011667
where:
bonds (distance) C4'-P energy: -61.398
bonds (distance) P-C4' energy: -46.969
flat angles C4'-P-C4' energy: -49.168
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -706.293574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.293574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.293574 (E_RNA)
where:
Base-Base interactions energy: -458.150
where: short stacking energy: -194.578
Base-Backbone interact. energy: 0.840
local terms energy: -248.983416
where:
bonds (distance) C4'-P energy: -49.573
bonds (distance) P-C4' energy: -56.181
flat angles C4'-P-C4' energy: -56.581
flat angles P-C4'-P energy: -40.132
tors. eta vs tors. theta energy: -46.517
Dist. restrs. and SS energy: 0.000 (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: 481
Temperature: 1.350000
Total energy: -450.445266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.445266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.445266 (E_RNA)
where:
Base-Base interactions energy: -269.593
where: short stacking energy: -127.381
Base-Backbone interact. energy: 2.684
local terms energy: -183.535458
where:
bonds (distance) C4'-P energy: -50.775
bonds (distance) P-C4' energy: -46.486
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -33.887
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1100.351344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.351344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.351344 (E_RNA)
where:
Base-Base interactions energy: -757.910
where: short stacking energy: -343.530
Base-Backbone interact. energy: -0.180
local terms energy: -342.261691
where:
bonds (distance) C4'-P energy: -60.560
bonds (distance) P-C4' energy: -63.564
flat angles C4'-P-C4' energy: -60.983
flat angles P-C4'-P energy: -56.038
tors. eta vs tors. theta energy: -101.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1075.699238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.699238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.699238 (E_RNA)
where:
Base-Base interactions energy: -765.980
where: short stacking energy: -314.237
Base-Backbone interact. energy: 1.627
local terms energy: -311.346692
where:
bonds (distance) C4'-P energy: -63.438
bonds (distance) P-C4' energy: -58.247
flat angles C4'-P-C4' energy: -59.290
flat angles P-C4'-P energy: -44.566
tors. eta vs tors. theta energy: -85.807
Dist. restrs. and SS energy: 0.000 (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: 482
Temperature: 1.000000
Total energy: -1063.910270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.910270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.910270 (E_RNA)
where:
Base-Base interactions energy: -750.839
where: short stacking energy: -320.010
Base-Backbone interact. energy: -0.884
local terms energy: -312.186474
where:
bonds (distance) C4'-P energy: -51.070
bonds (distance) P-C4' energy: -63.829
flat angles C4'-P-C4' energy: -62.418
flat angles P-C4'-P energy: -43.149
tors. eta vs tors. theta energy: -91.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -926.888157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.888157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.888157 (E_RNA)
where:
Base-Base interactions energy: -634.827
where: short stacking energy: -268.126
Base-Backbone interact. energy: -1.285
local terms energy: -290.776808
where:
bonds (distance) C4'-P energy: -49.746
bonds (distance) P-C4' energy: -54.009
flat angles C4'-P-C4' energy: -69.127
flat angles P-C4'-P energy: -38.659
tors. eta vs tors. theta energy: -79.236
Dist. restrs. and SS energy: 0.000 (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: 482
Temperature: 1.100000
Total energy: -907.690398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.690398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.690398 (E_RNA)
where:
Base-Base interactions energy: -616.061
where: short stacking energy: -264.143
Base-Backbone interact. energy: -1.578
local terms energy: -290.050907
where:
bonds (distance) C4'-P energy: -48.749
bonds (distance) P-C4' energy: -55.667
flat angles C4'-P-C4' energy: -65.213
flat angles P-C4'-P energy: -49.634
tors. eta vs tors. theta energy: -70.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -828.362702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.362702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.362702 (E_RNA)
where:
Base-Base interactions energy: -559.341
where: short stacking energy: -245.758
Base-Backbone interact. energy: -0.337
local terms energy: -268.684884
where:
bonds (distance) C4'-P energy: -67.255
bonds (distance) P-C4' energy: -51.096
flat angles C4'-P-C4' energy: -49.493
flat angles P-C4'-P energy: -39.634
tors. eta vs tors. theta energy: -61.207
Dist. restrs. and SS energy: 0.000 (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: 482
Temperature: 1.200000
Total energy: -775.490308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.490308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.490308 (E_RNA)
where:
Base-Base interactions energy: -530.492
where: short stacking energy: -240.526
Base-Backbone interact. energy: -0.634
local terms energy: -244.364390
where:
bonds (distance) C4'-P energy: -48.895
bonds (distance) P-C4' energy: -55.644
flat angles C4'-P-C4' energy: -50.344
flat angles P-C4'-P energy: -40.090
tors. eta vs tors. theta energy: -49.391
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: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -652.000638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.000638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.000638 (E_RNA)
where:
Base-Base interactions energy: -412.008
where: short stacking energy: -192.088
Base-Backbone interact. energy: -0.165
local terms energy: -239.827738
where:
bonds (distance) C4'-P energy: -43.580
bonds (distance) P-C4' energy: -47.191
flat angles C4'-P-C4' energy: -62.271
flat angles P-C4'-P energy: -36.817
tors. eta vs tors. theta energy: -49.970
Dist. restrs. and SS energy: 0.000 (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: 482
Temperature: 1.300000
Total energy: -696.825834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.825834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.825834 (E_RNA)
where:
Base-Base interactions energy: -470.181
where: short stacking energy: -187.477
Base-Backbone interact. energy: -0.693
local terms energy: -225.951901
where:
bonds (distance) C4'-P energy: -48.101
bonds (distance) P-C4' energy: -51.641
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -40.432
tors. eta vs tors. theta energy: -37.743
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: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -490.066626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.066626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.066626 (E_RNA)
where:
Base-Base interactions energy: -324.041
where: short stacking energy: -166.224
Base-Backbone interact. energy: -0.886
local terms energy: -165.139836
where:
bonds (distance) C4'-P energy: -41.349
bonds (distance) P-C4' energy: -35.191
flat angles C4'-P-C4' energy: -40.902
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -25.521
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: 1, replica: 10
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1085.111312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.111312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.111312 (E_RNA)
where:
Base-Base interactions energy: -749.459
where: short stacking energy: -317.761
Base-Backbone interact. energy: 1.601
local terms energy: -337.252943
where:
bonds (distance) C4'-P energy: -63.259
bonds (distance) P-C4' energy: -71.690
flat angles C4'-P-C4' energy: -60.875
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: -94.544
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: 2, replica: 6
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1052.229005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.229005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.229005 (E_RNA)
where:
Base-Base interactions energy: -751.006
where: short stacking energy: -311.997
Base-Backbone interact. energy: -1.195
local terms energy: -300.027960
where:
bonds (distance) C4'-P energy: -58.922
bonds (distance) P-C4' energy: -57.329
flat angles C4'-P-C4' energy: -65.870
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: -76.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1063.788169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.788169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.788169 (E_RNA)
where:
Base-Base interactions energy: -733.838
where: short stacking energy: -313.797
Base-Backbone interact. energy: -2.733
local terms energy: -327.216963
where:
bonds (distance) C4'-P energy: -57.124
bonds (distance) P-C4' energy: -56.282
flat angles C4'-P-C4' energy: -72.080
flat angles P-C4'-P energy: -44.900
tors. eta vs tors. theta energy: -96.832
Dist. restrs. and SS energy: 0.000 (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: 483
Temperature: 1.050000
Total energy: -940.349911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.349911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.349911 (E_RNA)
where:
Base-Base interactions energy: -661.820
where: short stacking energy: -296.691
Base-Backbone interact. energy: -1.485
local terms energy: -277.044810
where:
bonds (distance) C4'-P energy: -44.303
bonds (distance) P-C4' energy: -50.493
flat angles C4'-P-C4' energy: -55.281
flat angles P-C4'-P energy: -48.930
tors. eta vs tors. theta energy: -78.038
Dist. restrs. and SS energy: 0.000 (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: 483
Temperature: 1.100000
Total energy: -874.839267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.839267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.839267 (E_RNA)
where:
Base-Base interactions energy: -598.262
where: short stacking energy: -247.375
Base-Backbone interact. energy: -0.449
local terms energy: -276.127731
where:
bonds (distance) C4'-P energy: -59.387
bonds (distance) P-C4' energy: -54.067
flat angles C4'-P-C4' energy: -63.699
flat angles P-C4'-P energy: -32.763
tors. eta vs tors. theta energy: -66.211
Dist. restrs. and SS energy: 0.000 (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: 483
Temperature: 1.150000
Total energy: -818.092978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.092978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.092978 (E_RNA)
where:
Base-Base interactions energy: -559.492
where: short stacking energy: -232.080
Base-Backbone interact. energy: -1.120
local terms energy: -257.481259
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -49.784
flat angles C4'-P-C4' energy: -59.064
flat angles P-C4'-P energy: -36.275
tors. eta vs tors. theta energy: -63.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -757.018461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.018461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.018461 (E_RNA)
where:
Base-Base interactions energy: -503.646
where: short stacking energy: -236.817
Base-Backbone interact. energy: -0.712
local terms energy: -252.659987
where:
bonds (distance) C4'-P energy: -44.163
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -58.788
flat angles P-C4'-P energy: -38.865
tors. eta vs tors. theta energy: -56.715
Dist. restrs. and SS energy: 0.000 (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: 483
Temperature: 1.250000
Total energy: -629.880470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.880470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.880470 (E_RNA)
where:
Base-Base interactions energy: -394.905
where: short stacking energy: -184.772
Base-Backbone interact. energy: 2.204
local terms energy: -237.179699
where:
bonds (distance) C4'-P energy: -51.129
bonds (distance) P-C4' energy: -54.376
flat angles C4'-P-C4' energy: -52.299
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: -39.205
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: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -642.410204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.410204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.410204 (E_RNA)
where:
Base-Base interactions energy: -421.411
where: short stacking energy: -155.854
Base-Backbone interact. energy: 1.564
local terms energy: -222.562450
where:
bonds (distance) C4'-P energy: -53.581
bonds (distance) P-C4' energy: -63.137
flat angles C4'-P-C4' energy: -45.387
flat angles P-C4'-P energy: -30.257
tors. eta vs tors. theta energy: -30.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -487.147575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.147575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.147575 (E_RNA)
where:
Base-Base interactions energy: -287.532
where: short stacking energy: -142.788
Base-Backbone interact. energy: -2.262
local terms energy: -197.354415
where:
bonds (distance) C4'-P energy: -46.424
bonds (distance) P-C4' energy: -48.754
flat angles C4'-P-C4' energy: -41.871
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1099.094067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.094067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.094067 (E_RNA)
where:
Base-Base interactions energy: -776.037
where: short stacking energy: -311.802
Base-Backbone interact. energy: 1.152
local terms energy: -324.208931
where:
bonds (distance) C4'-P energy: -63.506
bonds (distance) P-C4' energy: -59.161
flat angles C4'-P-C4' energy: -70.632
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: -80.094
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: 10
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1070.470850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.470850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.470850 (E_RNA)
where:
Base-Base interactions energy: -741.389
where: short stacking energy: -329.920
Base-Backbone interact. energy: -1.194
local terms energy: -327.888273
where:
bonds (distance) C4'-P energy: -55.130
bonds (distance) P-C4' energy: -53.947
flat angles C4'-P-C4' energy: -63.341
flat angles P-C4'-P energy: -55.211
tors. eta vs tors. theta energy: -100.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1050.320241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.320241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.320241 (E_RNA)
where:
Base-Base interactions energy: -722.429
where: short stacking energy: -300.893
Base-Backbone interact. energy: -2.246
local terms energy: -325.644663
where:
bonds (distance) C4'-P energy: -69.658
bonds (distance) P-C4' energy: -59.366
flat angles C4'-P-C4' energy: -68.183
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -89.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -946.435674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.435674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.435674 (E_RNA)
where:
Base-Base interactions energy: -664.593
where: short stacking energy: -294.172
Base-Backbone interact. energy: -0.901
local terms energy: -280.941813
where:
bonds (distance) C4'-P energy: -53.928
bonds (distance) P-C4' energy: -48.321
flat angles C4'-P-C4' energy: -59.450
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -76.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -918.356869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.356869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.356869 (E_RNA)
where:
Base-Base interactions energy: -630.648
where: short stacking energy: -268.281
Base-Backbone interact. energy: -1.292
local terms energy: -286.416795
where:
bonds (distance) C4'-P energy: -49.410
bonds (distance) P-C4' energy: -59.257
flat angles C4'-P-C4' energy: -64.476
flat angles P-C4'-P energy: -41.375
tors. eta vs tors. theta energy: -71.899
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: 6, replica: 3
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -834.758634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.758634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.758634 (E_RNA)
where:
Base-Base interactions energy: -565.929
where: short stacking energy: -246.457
Base-Backbone interact. energy: 0.566
local terms energy: -269.395711
where:
bonds (distance) C4'-P energy: -53.595
bonds (distance) P-C4' energy: -55.717
flat angles C4'-P-C4' energy: -63.819
flat angles P-C4'-P energy: -36.926
tors. eta vs tors. theta energy: -59.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -770.160428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.160428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.160428 (E_RNA)
where:
Base-Base interactions energy: -515.396
where: short stacking energy: -229.815
Base-Backbone interact. energy: -0.700
local terms energy: -254.064039
where:
bonds (distance) C4'-P energy: -51.372
bonds (distance) P-C4' energy: -52.774
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -39.003
tors. eta vs tors. theta energy: -56.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -655.384229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.384229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.384229 (E_RNA)
where:
Base-Base interactions energy: -414.552
where: short stacking energy: -184.166
Base-Backbone interact. energy: -1.293
local terms energy: -239.538984
where:
bonds (distance) C4'-P energy: -54.014
bonds (distance) P-C4' energy: -51.443
flat angles C4'-P-C4' energy: -62.021
flat angles P-C4'-P energy: -33.723
tors. eta vs tors. theta energy: -38.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -680.366771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.366771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.366771 (E_RNA)
where:
Base-Base interactions energy: -451.524
where: short stacking energy: -193.994
Base-Backbone interact. energy: -1.060
local terms energy: -227.783180
where:
bonds (distance) C4'-P energy: -52.821
bonds (distance) P-C4' energy: -44.758
flat angles C4'-P-C4' energy: -55.876
flat angles P-C4'-P energy: -42.372
tors. eta vs tors. theta energy: -31.957
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: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -469.553276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.553276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.553276 (E_RNA)
where:
Base-Base interactions energy: -280.036
where: short stacking energy: -123.369
Base-Backbone interact. energy: -1.335
local terms energy: -188.183098
where:
bonds (distance) C4'-P energy: -46.605
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -47.370
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1087.106115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.106115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.106115 (E_RNA)
where:
Base-Base interactions energy: -774.540
where: short stacking energy: -303.740
Base-Backbone interact. energy: -1.349
local terms energy: -311.217564
where:
bonds (distance) C4'-P energy: -57.770
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -66.341
flat angles P-C4'-P energy: -51.148
tors. eta vs tors. theta energy: -78.853
Dist. restrs. and SS energy: 0.000 (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: 485
Temperature: 0.950000
Total energy: -1055.545894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.545894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.545894 (E_RNA)
where:
Base-Base interactions energy: -733.606
where: short stacking energy: -339.471
Base-Backbone interact. energy: 0.740
local terms energy: -322.680173
where:
bonds (distance) C4'-P energy: -57.424
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -65.869
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -95.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1045.609399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.609399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.609399 (E_RNA)
where:
Base-Base interactions energy: -739.289
where: short stacking energy: -327.578
Base-Backbone interact. energy: 2.380
local terms energy: -308.700366
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -60.851
flat angles C4'-P-C4' energy: -66.441
flat angles P-C4'-P energy: -44.467
tors. eta vs tors. theta energy: -92.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -946.150501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.150501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.150501 (E_RNA)
where:
Base-Base interactions energy: -653.033
where: short stacking energy: -274.526
Base-Backbone interact. energy: -1.399
local terms energy: -291.718608
where:
bonds (distance) C4'-P energy: -43.210
bonds (distance) P-C4' energy: -58.441
flat angles C4'-P-C4' energy: -63.207
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: -81.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -881.353789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.353789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.353789 (E_RNA)
where:
Base-Base interactions energy: -591.848
where: short stacking energy: -251.684
Base-Backbone interact. energy: -1.108
local terms energy: -288.397793
where:
bonds (distance) C4'-P energy: -51.599
bonds (distance) P-C4' energy: -58.011
flat angles C4'-P-C4' energy: -67.948
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -66.148
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: 6, replica: 3
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -846.290839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.290839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.290839 (E_RNA)
where:
Base-Base interactions energy: -580.610
where: short stacking energy: -259.869
Base-Backbone interact. energy: -1.540
local terms energy: -264.140162
where:
bonds (distance) C4'-P energy: -45.215
bonds (distance) P-C4' energy: -54.497
flat angles C4'-P-C4' energy: -58.002
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -73.040
Dist. restrs. and SS energy: 0.000 (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: 485
Temperature: 1.200000
Total energy: -751.270196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.270196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.270196 (E_RNA)
where:
Base-Base interactions energy: -493.422
where: short stacking energy: -214.517
Base-Backbone interact. energy: -1.806
local terms energy: -256.042657
where:
bonds (distance) C4'-P energy: -49.539
bonds (distance) P-C4' energy: -60.302
flat angles C4'-P-C4' energy: -55.563
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -54.901
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: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -628.154549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.154549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.154549 (E_RNA)
where:
Base-Base interactions energy: -390.063
where: short stacking energy: -176.576
Base-Backbone interact. energy: -1.282
local terms energy: -236.810046
where:
bonds (distance) C4'-P energy: -58.554
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -56.109
flat angles P-C4'-P energy: -37.169
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (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: 485
Temperature: 1.300000
Total energy: -686.437459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.437459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.437459 (E_RNA)
where:
Base-Base interactions energy: -470.868
where: short stacking energy: -186.895
Base-Backbone interact. energy: 0.857
local terms energy: -216.425570
where:
bonds (distance) C4'-P energy: -46.969
bonds (distance) P-C4' energy: -46.792
flat angles C4'-P-C4' energy: -49.878
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: -47.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -433.970113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.970113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.970113 (E_RNA)
where:
Base-Base interactions energy: -236.585
where: short stacking energy: -121.952
Base-Backbone interact. energy: 3.431
local terms energy: -200.816753
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -51.868
flat angles C4'-P-C4' energy: -50.899
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -11.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1078.970884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.970884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.970884 (E_RNA)
where:
Base-Base interactions energy: -751.184
where: short stacking energy: -330.128
Base-Backbone interact. energy: 0.151
local terms energy: -327.937613
where:
bonds (distance) C4'-P energy: -54.505
bonds (distance) P-C4' energy: -62.683
flat angles C4'-P-C4' energy: -67.357
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -97.211
Dist. restrs. and SS energy: 0.000 (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: 486
Temperature: 0.950000
Total energy: -1074.090202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.090202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.090202 (E_RNA)
where:
Base-Base interactions energy: -772.022
where: short stacking energy: -316.789
Base-Backbone interact. energy: -1.083
local terms energy: -300.984936
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -57.419
flat angles C4'-P-C4' energy: -64.848
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -81.000
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: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1025.998136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.998136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.998136 (E_RNA)
where:
Base-Base interactions energy: -698.054
where: short stacking energy: -316.041
Base-Backbone interact. energy: -0.632
local terms energy: -327.312163
where:
bonds (distance) C4'-P energy: -60.922
bonds (distance) P-C4' energy: -61.639
flat angles C4'-P-C4' energy: -62.630
flat angles P-C4'-P energy: -45.553
tors. eta vs tors. theta energy: -96.568
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: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -954.574130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.574130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.574130 (E_RNA)
where:
Base-Base interactions energy: -667.031
where: short stacking energy: -294.382
Base-Backbone interact. energy: -1.489
local terms energy: -286.054886
where:
bonds (distance) C4'-P energy: -51.009
bonds (distance) P-C4' energy: -58.617
flat angles C4'-P-C4' energy: -59.274
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -81.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -928.074656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.074656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.074656 (E_RNA)
where:
Base-Base interactions energy: -654.398
where: short stacking energy: -268.144
Base-Backbone interact. energy: -1.487
local terms energy: -272.189944
where:
bonds (distance) C4'-P energy: -44.179
bonds (distance) P-C4' energy: -56.147
flat angles C4'-P-C4' energy: -64.706
flat angles P-C4'-P energy: -31.893
tors. eta vs tors. theta energy: -75.265
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: 6, replica: 3
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -872.830792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.830792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.830792 (E_RNA)
where:
Base-Base interactions energy: -581.533
where: short stacking energy: -275.672
Base-Backbone interact. energy: -1.316
local terms energy: -289.982188
where:
bonds (distance) C4'-P energy: -50.347
bonds (distance) P-C4' energy: -52.585
flat angles C4'-P-C4' energy: -62.736
flat angles P-C4'-P energy: -41.175
tors. eta vs tors. theta energy: -83.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -751.613852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.613852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.613852 (E_RNA)
where:
Base-Base interactions energy: -502.973
where: short stacking energy: -216.163
Base-Backbone interact. energy: -0.709
local terms energy: -247.932036
where:
bonds (distance) C4'-P energy: -50.538
bonds (distance) P-C4' energy: -46.328
flat angles C4'-P-C4' energy: -57.597
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -59.538
Dist. restrs. and SS energy: 0.000 (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: 486
Temperature: 1.250000
Total energy: -638.663015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.663015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.663015 (E_RNA)
where:
Base-Base interactions energy: -413.770
where: short stacking energy: -190.596
Base-Backbone interact. energy: 0.840
local terms energy: -225.732839
where:
bonds (distance) C4'-P energy: -45.878
bonds (distance) P-C4' energy: -59.069
flat angles C4'-P-C4' energy: -56.858
flat angles P-C4'-P energy: -33.061
tors. eta vs tors. theta energy: -30.866
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: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -683.274756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.274756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.274756 (E_RNA)
where:
Base-Base interactions energy: -452.678
where: short stacking energy: -201.925
Base-Backbone interact. energy: 0.526
local terms energy: -231.123155
where:
bonds (distance) C4'-P energy: -50.911
bonds (distance) P-C4' energy: -48.378
flat angles C4'-P-C4' energy: -45.879
flat angles P-C4'-P energy: -35.629
tors. eta vs tors. theta energy: -50.326
Dist. restrs. and SS energy: 0.000 (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: 486
Temperature: 1.350000
Total energy: -429.021284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.021284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.021284 (E_RNA)
where:
Base-Base interactions energy: -235.114
where: short stacking energy: -115.949
Base-Backbone interact. energy: -2.524
local terms energy: -191.383052
where:
bonds (distance) C4'-P energy: -60.072
bonds (distance) P-C4' energy: -40.073
flat angles C4'-P-C4' energy: -53.291
flat angles P-C4'-P energy: -33.465
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1088.432512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.432512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.432512 (E_RNA)
where:
Base-Base interactions energy: -744.208
where: short stacking energy: -320.482
Base-Backbone interact. energy: -0.591
local terms energy: -343.632887
where:
bonds (distance) C4'-P energy: -60.559
bonds (distance) P-C4' energy: -61.808
flat angles C4'-P-C4' energy: -72.361
flat angles P-C4'-P energy: -54.591
tors. eta vs tors. theta energy: -94.314
Dist. restrs. and SS energy: 0.000 (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: 487
Temperature: 0.950000
Total energy: -1075.207283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.207283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.207283 (E_RNA)
where:
Base-Base interactions energy: -746.312
where: short stacking energy: -311.281
Base-Backbone interact. energy: -2.587
local terms energy: -326.308280
where:
bonds (distance) C4'-P energy: -69.021
bonds (distance) P-C4' energy: -56.570
flat angles C4'-P-C4' energy: -65.881
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -88.508
Dist. restrs. and SS energy: 0.000 (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: 487
Temperature: 1.000000
Total energy: -1036.819789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.819789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.819789 (E_RNA)
where:
Base-Base interactions energy: -724.463
where: short stacking energy: -311.318
Base-Backbone interact. energy: 0.219
local terms energy: -312.576292
where:
bonds (distance) C4'-P energy: -50.527
bonds (distance) P-C4' energy: -62.345
flat angles C4'-P-C4' energy: -65.637
flat angles P-C4'-P energy: -44.133
tors. eta vs tors. theta energy: -89.934
Dist. restrs. and SS energy: 0.000 (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: 487
Temperature: 1.050000
Total energy: -968.086044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.086044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.086044 (E_RNA)
where:
Base-Base interactions energy: -680.263
where: short stacking energy: -270.522
Base-Backbone interact. energy: -1.737
local terms energy: -286.086438
where:
bonds (distance) C4'-P energy: -56.866
bonds (distance) P-C4' energy: -62.352
flat angles C4'-P-C4' energy: -59.734
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -74.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -951.835891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.835891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.835891 (E_RNA)
where:
Base-Base interactions energy: -646.987
where: short stacking energy: -290.959
Base-Backbone interact. energy: -1.143
local terms energy: -303.706215
where:
bonds (distance) C4'-P energy: -55.764
bonds (distance) P-C4' energy: -59.459
flat angles C4'-P-C4' energy: -63.503
flat angles P-C4'-P energy: -41.430
tors. eta vs tors. theta energy: -83.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -848.758525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.758525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.758525 (E_RNA)
where:
Base-Base interactions energy: -567.616
where: short stacking energy: -247.487
Base-Backbone interact. energy: -0.061
local terms energy: -281.080699
where:
bonds (distance) C4'-P energy: -54.000
bonds (distance) P-C4' energy: -60.310
flat angles C4'-P-C4' energy: -54.304
flat angles P-C4'-P energy: -46.063
tors. eta vs tors. theta energy: -66.404
Dist. restrs. and SS energy: 0.000 (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: 487
Temperature: 1.200000
Total energy: -758.682806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.682806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.682806 (E_RNA)
where:
Base-Base interactions energy: -513.824
where: short stacking energy: -242.766
Base-Backbone interact. energy: 0.766
local terms energy: -245.625450
where:
bonds (distance) C4'-P energy: -52.896
bonds (distance) P-C4' energy: -45.948
flat angles C4'-P-C4' energy: -51.656
flat angles P-C4'-P energy: -40.215
tors. eta vs tors. theta energy: -54.910
Dist. restrs. and SS energy: 0.000 (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: 487
Temperature: 1.250000
Total energy: -689.133574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.133574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.133574 (E_RNA)
where:
Base-Base interactions energy: -462.918
where: short stacking energy: -197.070
Base-Backbone interact. energy: -0.871
local terms energy: -225.345421
where:
bonds (distance) C4'-P energy: -41.747
bonds (distance) P-C4' energy: -50.003
flat angles C4'-P-C4' energy: -54.578
flat angles P-C4'-P energy: -37.391
tors. eta vs tors. theta energy: -41.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -613.189886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.189886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.189886 (E_RNA)
where:
Base-Base interactions energy: -404.370
where: short stacking energy: -160.136
Base-Backbone interact. energy: -1.067
local terms energy: -207.752145
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -45.222
flat angles C4'-P-C4' energy: -59.871
flat angles P-C4'-P energy: -28.671
tors. eta vs tors. theta energy: -25.731
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: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -462.512599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.512599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.512599 (E_RNA)
where:
Base-Base interactions energy: -275.633
where: short stacking energy: -117.777
Base-Backbone interact. energy: -1.103
local terms energy: -185.776723
where:
bonds (distance) C4'-P energy: -51.077
bonds (distance) P-C4' energy: -47.084
flat angles C4'-P-C4' energy: -44.423
flat angles P-C4'-P energy: -28.680
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1092.609663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.609663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.609663 (E_RNA)
where:
Base-Base interactions energy: -775.123
where: short stacking energy: -314.203
Base-Backbone interact. energy: -1.635
local terms energy: -315.852052
where:
bonds (distance) C4'-P energy: -62.157
bonds (distance) P-C4' energy: -59.756
flat angles C4'-P-C4' energy: -65.031
flat angles P-C4'-P energy: -40.790
tors. eta vs tors. theta energy: -88.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1085.100670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.100670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.100670 (E_RNA)
where:
Base-Base interactions energy: -745.685
where: short stacking energy: -333.116
Base-Backbone interact. energy: -1.512
local terms energy: -337.904136
where:
bonds (distance) C4'-P energy: -58.135
bonds (distance) P-C4' energy: -64.775
flat angles C4'-P-C4' energy: -68.759
flat angles P-C4'-P energy: -47.937
tors. eta vs tors. theta energy: -98.299
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: 3, replica: 4
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1002.151145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.151145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.151145 (E_RNA)
where:
Base-Base interactions energy: -717.144
where: short stacking energy: -303.090
Base-Backbone interact. energy: -2.412
local terms energy: -282.594555
where:
bonds (distance) C4'-P energy: -53.277
bonds (distance) P-C4' energy: -50.826
flat angles C4'-P-C4' energy: -60.874
flat angles P-C4'-P energy: -41.101
tors. eta vs tors. theta energy: -76.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1003.422939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.422939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.422939 (E_RNA)
where:
Base-Base interactions energy: -680.749
where: short stacking energy: -281.976
Base-Backbone interact. energy: -0.321
local terms energy: -322.353502
where:
bonds (distance) C4'-P energy: -52.052
bonds (distance) P-C4' energy: -57.902
flat angles C4'-P-C4' energy: -72.462
flat angles P-C4'-P energy: -45.559
tors. eta vs tors. theta energy: -94.380
Dist. restrs. and SS energy: 0.000 (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: 488
Temperature: 1.100000
Total energy: -927.826498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.826498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.826498 (E_RNA)
where:
Base-Base interactions energy: -628.096
where: short stacking energy: -290.828
Base-Backbone interact. energy: -0.107
local terms energy: -299.623280
where:
bonds (distance) C4'-P energy: -49.999
bonds (distance) P-C4' energy: -58.937
flat angles C4'-P-C4' energy: -60.354
flat angles P-C4'-P energy: -39.944
tors. eta vs tors. theta energy: -90.390
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: 6, replica: 3
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -841.085038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.085038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.085038 (E_RNA)
where:
Base-Base interactions energy: -571.231
where: short stacking energy: -249.868
Base-Backbone interact. energy: 0.369
local terms energy: -270.223087
where:
bonds (distance) C4'-P energy: -55.765
bonds (distance) P-C4' energy: -62.811
flat angles C4'-P-C4' energy: -50.823
flat angles P-C4'-P energy: -34.669
tors. eta vs tors. theta energy: -66.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -751.787566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.787566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.787566 (E_RNA)
where:
Base-Base interactions energy: -491.953
where: short stacking energy: -202.728
Base-Backbone interact. energy: -0.780
local terms energy: -259.055100
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -63.566
flat angles C4'-P-C4' energy: -50.751
flat angles P-C4'-P energy: -40.629
tors. eta vs tors. theta energy: -52.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -690.477761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.477761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.477761 (E_RNA)
where:
Base-Base interactions energy: -466.306
where: short stacking energy: -202.022
Base-Backbone interact. energy: -0.491
local terms energy: -223.680918
where:
bonds (distance) C4'-P energy: -46.717
bonds (distance) P-C4' energy: -58.787
flat angles C4'-P-C4' energy: -59.945
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -43.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -582.434965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.434965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.434965 (E_RNA)
where:
Base-Base interactions energy: -374.159
where: short stacking energy: -168.375
Base-Backbone interact. energy: -1.375
local terms energy: -206.901118
where:
bonds (distance) C4'-P energy: -53.174
bonds (distance) P-C4' energy: -49.026
flat angles C4'-P-C4' energy: -51.297
flat angles P-C4'-P energy: -29.593
tors. eta vs tors. theta energy: -23.812
Dist. restrs. and SS energy: 0.000 (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: 488
Temperature: 1.350000
Total energy: -464.973444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.973444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.973444 (E_RNA)
where:
Base-Base interactions energy: -284.595
where: short stacking energy: -143.715
Base-Backbone interact. energy: -0.058
local terms energy: -180.320812
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -42.476
flat angles P-C4'-P energy: -28.704
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (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: 489
Temperature: 0.900000
Total energy: -1102.616954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.616954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.616954 (E_RNA)
where:
Base-Base interactions energy: -774.470
where: short stacking energy: -308.260
Base-Backbone interact. energy: -1.240
local terms energy: -326.907383
where:
bonds (distance) C4'-P energy: -65.021
bonds (distance) P-C4' energy: -63.544
flat angles C4'-P-C4' energy: -68.860
flat angles P-C4'-P energy: -46.898
tors. eta vs tors. theta energy: -82.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1073.417387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.417387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.417387 (E_RNA)
where:
Base-Base interactions energy: -732.458
where: short stacking energy: -339.642
Base-Backbone interact. energy: -1.164
local terms energy: -339.796270
where:
bonds (distance) C4'-P energy: -56.442
bonds (distance) P-C4' energy: -61.637
flat angles C4'-P-C4' energy: -77.561
flat angles P-C4'-P energy: -48.166
tors. eta vs tors. theta energy: -95.990
Dist. restrs. and SS energy: 0.000 (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: 489
Temperature: 1.000000
Total energy: -989.126971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.126971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.126971 (E_RNA)
where:
Base-Base interactions energy: -689.176
where: short stacking energy: -277.745
Base-Backbone interact. energy: 0.207
local terms energy: -300.157670
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -51.796
flat angles C4'-P-C4' energy: -74.810
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -79.576
Dist. restrs. and SS energy: 0.000 (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: 489
Temperature: 1.050000
Total energy: -982.499923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.499923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.499923 (E_RNA)
where:
Base-Base interactions energy: -689.752
where: short stacking energy: -295.170
Base-Backbone interact. energy: -0.677
local terms energy: -292.070488
where:
bonds (distance) C4'-P energy: -53.980
bonds (distance) P-C4' energy: -54.814
flat angles C4'-P-C4' energy: -63.742
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -83.273
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: 489
Temperature: 1.100000
Total energy: -917.837525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.837525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.837525 (E_RNA)
where:
Base-Base interactions energy: -627.824
where: short stacking energy: -266.351
Base-Backbone interact. energy: -1.121
local terms energy: -288.893026
where:
bonds (distance) C4'-P energy: -49.439
bonds (distance) P-C4' energy: -59.975
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -73.519
Dist. restrs. and SS energy: 0.000 (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: 489
Temperature: 1.150000
Total energy: -818.445378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.445378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.445378 (E_RNA)
where:
Base-Base interactions energy: -564.455
where: short stacking energy: -242.230
Base-Backbone interact. energy: -0.374
local terms energy: -253.616650
where:
bonds (distance) C4'-P energy: -56.580
bonds (distance) P-C4' energy: -62.101
flat angles C4'-P-C4' energy: -46.889
flat angles P-C4'-P energy: -34.971
tors. eta vs tors. theta energy: -53.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -762.154346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.154346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.154346 (E_RNA)
where:
Base-Base interactions energy: -521.576
where: short stacking energy: -221.153
Base-Backbone interact. energy: -1.830
local terms energy: -238.748781
where:
bonds (distance) C4'-P energy: -49.392
bonds (distance) P-C4' energy: -56.294
flat angles C4'-P-C4' energy: -51.612
flat angles P-C4'-P energy: -29.566
tors. eta vs tors. theta energy: -51.884
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: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -686.470164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.470164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.470164 (E_RNA)
where:
Base-Base interactions energy: -465.311
where: short stacking energy: -196.978
Base-Backbone interact. energy: -1.017
local terms energy: -220.142688
where:
bonds (distance) C4'-P energy: -40.347
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -49.773
flat angles P-C4'-P energy: -36.131
tors. eta vs tors. theta energy: -40.642
Dist. restrs. and SS energy: 0.000 (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: 489
Temperature: 1.300000
Total energy: -602.628427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.628427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.628427 (E_RNA)
where:
Base-Base interactions energy: -375.141
where: short stacking energy: -176.659
Base-Backbone interact. energy: -3.287
local terms energy: -224.200863
where:
bonds (distance) C4'-P energy: -50.573
bonds (distance) P-C4' energy: -54.467
flat angles C4'-P-C4' energy: -58.158
flat angles P-C4'-P energy: -26.321
tors. eta vs tors. theta energy: -34.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -436.840155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.840155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.840155 (E_RNA)
where:
Base-Base interactions energy: -239.510
where: short stacking energy: -105.737
Base-Backbone interact. energy: -0.365
local terms energy: -196.965389
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -61.700
flat angles C4'-P-C4' energy: -44.462
flat angles P-C4'-P energy: -39.762
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1103.679813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.679813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.679813 (E_RNA)
where:
Base-Base interactions energy: -772.431
where: short stacking energy: -335.339
Base-Backbone interact. energy: -1.504
local terms energy: -329.744747
where:
bonds (distance) C4'-P energy: -58.780
bonds (distance) P-C4' energy: -62.327
flat angles C4'-P-C4' energy: -74.547
flat angles P-C4'-P energy: -43.457
tors. eta vs tors. theta energy: -90.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1068.849960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.849960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.849960 (E_RNA)
where:
Base-Base interactions energy: -738.847
where: short stacking energy: -334.045
Base-Backbone interact. energy: -0.859
local terms energy: -329.143757
where:
bonds (distance) C4'-P energy: -67.530
bonds (distance) P-C4' energy: -59.935
flat angles C4'-P-C4' energy: -61.227
flat angles P-C4'-P energy: -45.219
tors. eta vs tors. theta energy: -95.232
Dist. restrs. and SS energy: 0.000 (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: 490
Temperature: 1.000000
Total energy: -1034.988422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.988422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.988422 (E_RNA)
where:
Base-Base interactions energy: -718.542
where: short stacking energy: -294.066
Base-Backbone interact. energy: -1.952
local terms energy: -314.494931
where:
bonds (distance) C4'-P energy: -61.412
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -68.935
flat angles P-C4'-P energy: -45.920
tors. eta vs tors. theta energy: -82.070
Dist. restrs. and SS energy: 0.000 (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: 490
Temperature: 1.050000
Total energy: -954.958535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.958535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.958535 (E_RNA)
where:
Base-Base interactions energy: -670.077
where: short stacking energy: -271.728
Base-Backbone interact. energy: 1.297
local terms energy: -286.178640
where:
bonds (distance) C4'-P energy: -40.418
bonds (distance) P-C4' energy: -57.654
flat angles C4'-P-C4' energy: -66.589
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -75.556
Dist. restrs. and SS energy: 0.000 (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: 490
Temperature: 1.100000
Total energy: -940.921413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.921413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.921413 (E_RNA)
where:
Base-Base interactions energy: -640.906
where: short stacking energy: -278.288
Base-Backbone interact. energy: -0.626
local terms energy: -299.389566
where:
bonds (distance) C4'-P energy: -54.731
bonds (distance) P-C4' energy: -51.195
flat angles C4'-P-C4' energy: -66.295
flat angles P-C4'-P energy: -38.926
tors. eta vs tors. theta energy: -88.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -815.955701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.955701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.955701 (E_RNA)
where:
Base-Base interactions energy: -545.299
where: short stacking energy: -252.918
Base-Backbone interact. energy: 1.297
local terms energy: -271.954133
where:
bonds (distance) C4'-P energy: -58.830
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -67.217
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: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -736.557661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.557661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.557661 (E_RNA)
where:
Base-Base interactions energy: -506.669
where: short stacking energy: -212.533
Base-Backbone interact. energy: -2.109
local terms energy: -227.779561
where:
bonds (distance) C4'-P energy: -44.480
bonds (distance) P-C4' energy: -44.482
flat angles C4'-P-C4' energy: -54.442
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -47.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -716.060475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.060475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.060475 (E_RNA)
where:
Base-Base interactions energy: -472.740
where: short stacking energy: -208.089
Base-Backbone interact. energy: -1.607
local terms energy: -241.712891
where:
bonds (distance) C4'-P energy: -56.771
bonds (distance) P-C4' energy: -58.907
flat angles C4'-P-C4' energy: -49.912
flat angles P-C4'-P energy: -34.073
tors. eta vs tors. theta energy: -42.049
Dist. restrs. and SS energy: 0.000 (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: 490
Temperature: 1.300000
Total energy: -602.610756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.610756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.610756 (E_RNA)
where:
Base-Base interactions energy: -397.773
where: short stacking energy: -182.297
Base-Backbone interact. energy: -0.362
local terms energy: -204.476355
where:
bonds (distance) C4'-P energy: -47.840
bonds (distance) P-C4' energy: -34.775
flat angles C4'-P-C4' energy: -55.514
flat angles P-C4'-P energy: -25.072
tors. eta vs tors. theta energy: -41.275
Dist. restrs. and SS energy: 0.000 (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: 490
Temperature: 1.350000
Total energy: -419.217111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.217111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.217111 (E_RNA)
where:
Base-Base interactions energy: -232.841
where: short stacking energy: -105.028
Base-Backbone interact. energy: -2.561
local terms energy: -183.815837
where:
bonds (distance) C4'-P energy: -52.907
bonds (distance) P-C4' energy: -41.526
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1094.488989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.488989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.488989 (E_RNA)
where:
Base-Base interactions energy: -768.644
where: short stacking energy: -313.516
Base-Backbone interact. energy: -1.699
local terms energy: -324.145858
where:
bonds (distance) C4'-P energy: -59.032
bonds (distance) P-C4' energy: -62.983
flat angles C4'-P-C4' energy: -69.577
flat angles P-C4'-P energy: -47.280
tors. eta vs tors. theta energy: -85.273
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: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1067.545028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.545028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.545028 (E_RNA)
where:
Base-Base interactions energy: -741.951
where: short stacking energy: -328.830
Base-Backbone interact. energy: 2.618
local terms energy: -328.212524
where:
bonds (distance) C4'-P energy: -53.821
bonds (distance) P-C4' energy: -63.122
flat angles C4'-P-C4' energy: -68.494
flat angles P-C4'-P energy: -52.632
tors. eta vs tors. theta energy: -90.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1025.167436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.167436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.167436 (E_RNA)
where:
Base-Base interactions energy: -724.019
where: short stacking energy: -298.403
Base-Backbone interact. energy: 0.220
local terms energy: -301.368717
where:
bonds (distance) C4'-P energy: -55.347
bonds (distance) P-C4' energy: -58.577
flat angles C4'-P-C4' energy: -65.815
flat angles P-C4'-P energy: -37.754
tors. eta vs tors. theta energy: -83.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -953.632356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.632356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.632356 (E_RNA)
where:
Base-Base interactions energy: -658.906
where: short stacking energy: -282.826
Base-Backbone interact. energy: -0.471
local terms energy: -294.255240
where:
bonds (distance) C4'-P energy: -51.845
bonds (distance) P-C4' energy: -56.232
flat angles C4'-P-C4' energy: -55.895
flat angles P-C4'-P energy: -45.376
tors. eta vs tors. theta energy: -84.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -931.337158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.337158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.337158 (E_RNA)
where:
Base-Base interactions energy: -657.969
where: short stacking energy: -284.095
Base-Backbone interact. energy: -1.235
local terms energy: -272.133458
where:
bonds (distance) C4'-P energy: -47.303
bonds (distance) P-C4' energy: -53.151
flat angles C4'-P-C4' energy: -59.382
flat angles P-C4'-P energy: -30.132
tors. eta vs tors. theta energy: -82.165
Dist. restrs. and SS energy: 0.000 (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: 491
Temperature: 1.150000
Total energy: -776.618206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.618206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.618206 (E_RNA)
where:
Base-Base interactions energy: -511.862
where: short stacking energy: -218.179
Base-Backbone interact. energy: -1.669
local terms energy: -263.087234
where:
bonds (distance) C4'-P energy: -56.536
bonds (distance) P-C4' energy: -51.896
flat angles C4'-P-C4' energy: -62.548
flat angles P-C4'-P energy: -32.307
tors. eta vs tors. theta energy: -59.800
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: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -812.357154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.357154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.357154 (E_RNA)
where:
Base-Base interactions energy: -550.258
where: short stacking energy: -246.446
Base-Backbone interact. energy: -0.843
local terms energy: -261.255534
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -54.653
flat angles C4'-P-C4' energy: -56.055
flat angles P-C4'-P energy: -42.764
tors. eta vs tors. theta energy: -63.413
Dist. restrs. and SS energy: 0.000 (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: 491
Temperature: 1.250000
Total energy: -678.686451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.686451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.686451 (E_RNA)
where:
Base-Base interactions energy: -444.812
where: short stacking energy: -174.944
Base-Backbone interact. energy: -1.186
local terms energy: -232.688013
where:
bonds (distance) C4'-P energy: -52.424
bonds (distance) P-C4' energy: -58.748
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -30.340
tors. eta vs tors. theta energy: -38.670
Dist. restrs. and SS energy: 0.000 (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: 491
Temperature: 1.300000
Total energy: -587.513396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.513396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.513396 (E_RNA)
where:
Base-Base interactions energy: -375.071
where: short stacking energy: -175.586
Base-Backbone interact. energy: -0.041
local terms energy: -212.400870
where:
bonds (distance) C4'-P energy: -39.551
bonds (distance) P-C4' energy: -57.118
flat angles C4'-P-C4' energy: -61.846
flat angles P-C4'-P energy: -29.495
tors. eta vs tors. theta energy: -24.390
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: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -447.377700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.377700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.377700 (E_RNA)
where:
Base-Base interactions energy: -282.167
where: short stacking energy: -141.410
Base-Backbone interact. energy: 1.941
local terms energy: -167.151939
where:
bonds (distance) C4'-P energy: -36.330
bonds (distance) P-C4' energy: -45.955
flat angles C4'-P-C4' energy: -48.117
flat angles P-C4'-P energy: -21.933
tors. eta vs tors. theta energy: -14.817
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: 1, replica: 6
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1089.476778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.476778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.476778 (E_RNA)
where:
Base-Base interactions energy: -777.589
where: short stacking energy: -313.391
Base-Backbone interact. energy: -0.715
local terms energy: -311.172804
where:
bonds (distance) C4'-P energy: -59.395
bonds (distance) P-C4' energy: -58.993
flat angles C4'-P-C4' energy: -64.980
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -82.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1076.322634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.322634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.322634 (E_RNA)
where:
Base-Base interactions energy: -741.228
where: short stacking energy: -336.298
Base-Backbone interact. energy: 2.251
local terms energy: -337.345198
where:
bonds (distance) C4'-P energy: -60.720
bonds (distance) P-C4' energy: -56.965
flat angles C4'-P-C4' energy: -70.549
flat angles P-C4'-P energy: -52.361
tors. eta vs tors. theta energy: -96.751
Dist. restrs. and SS energy: 0.000 (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: 492
Temperature: 1.000000
Total energy: -1033.370375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.370375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.370375 (E_RNA)
where:
Base-Base interactions energy: -729.310
where: short stacking energy: -312.903
Base-Backbone interact. energy: 0.537
local terms energy: -304.597680
where:
bonds (distance) C4'-P energy: -65.779
bonds (distance) P-C4' energy: -53.584
flat angles C4'-P-C4' energy: -60.830
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -89.712
Dist. restrs. and SS energy: 0.000 (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: 492
Temperature: 1.050000
Total energy: -943.440366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.440366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.440366 (E_RNA)
where:
Base-Base interactions energy: -635.665
where: short stacking energy: -294.230
Base-Backbone interact. energy: -1.047
local terms energy: -306.728909
where:
bonds (distance) C4'-P energy: -58.684
bonds (distance) P-C4' energy: -62.796
flat angles C4'-P-C4' energy: -69.157
flat angles P-C4'-P energy: -31.151
tors. eta vs tors. theta energy: -84.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -940.487659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.487659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.487659 (E_RNA)
where:
Base-Base interactions energy: -643.410
where: short stacking energy: -273.491
Base-Backbone interact. energy: -1.244
local terms energy: -295.833857
where:
bonds (distance) C4'-P energy: -62.991
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -64.571
flat angles P-C4'-P energy: -31.801
tors. eta vs tors. theta energy: -76.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -824.040996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.040996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.040996 (E_RNA)
where:
Base-Base interactions energy: -555.081
where: short stacking energy: -235.242
Base-Backbone interact. energy: 1.376
local terms energy: -270.335868
where:
bonds (distance) C4'-P energy: -58.082
bonds (distance) P-C4' energy: -51.994
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -33.431
tors. eta vs tors. theta energy: -65.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -843.725120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.725120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.725120 (E_RNA)
where:
Base-Base interactions energy: -575.542
where: short stacking energy: -247.772
Base-Backbone interact. energy: -1.480
local terms energy: -266.703417
where:
bonds (distance) C4'-P energy: -51.789
bonds (distance) P-C4' energy: -52.027
flat angles C4'-P-C4' energy: -65.928
flat angles P-C4'-P energy: -35.590
tors. eta vs tors. theta energy: -61.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -691.218954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.218954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.218954 (E_RNA)
where:
Base-Base interactions energy: -462.567
where: short stacking energy: -203.770
Base-Backbone interact. energy: -0.552
local terms energy: -228.099896
where:
bonds (distance) C4'-P energy: -51.231
bonds (distance) P-C4' energy: -42.541
flat angles C4'-P-C4' energy: -54.677
flat angles P-C4'-P energy: -35.369
tors. eta vs tors. theta energy: -44.282
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: 9, replica: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -590.201665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.201665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.201665 (E_RNA)
where:
Base-Base interactions energy: -385.259
where: short stacking energy: -176.087
Base-Backbone interact. energy: 0.124
local terms energy: -205.066259
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -48.391
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: -29.537
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: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -450.752681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.752681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.752681 (E_RNA)
where:
Base-Base interactions energy: -268.653
where: short stacking energy: -129.607
Base-Backbone interact. energy: 0.108
local terms energy: -182.207716
where:
bonds (distance) C4'-P energy: -47.806
bonds (distance) P-C4' energy: -52.965
flat angles C4'-P-C4' energy: -51.361
flat angles P-C4'-P energy: -25.139
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (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: 493
Temperature: 0.900000
Total energy: -1096.222368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.222368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.222368 (E_RNA)
where:
Base-Base interactions energy: -772.763
where: short stacking energy: -316.869
Base-Backbone interact. energy: 2.063
local terms energy: -325.522543
where:
bonds (distance) C4'-P energy: -64.243
bonds (distance) P-C4' energy: -60.978
flat angles C4'-P-C4' energy: -64.574
flat angles P-C4'-P energy: -46.468
tors. eta vs tors. theta energy: -89.259
Dist. restrs. and SS energy: 0.000 (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: 493
Temperature: 0.950000
Total energy: -1066.573223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.573223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.573223 (E_RNA)
where:
Base-Base interactions energy: -756.532
where: short stacking energy: -316.863
Base-Backbone interact. energy: -0.483
local terms energy: -309.557505
where:
bonds (distance) C4'-P energy: -51.292
bonds (distance) P-C4' energy: -60.034
flat angles C4'-P-C4' energy: -65.841
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -89.949
Dist. restrs. and SS energy: 0.000 (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: 493
Temperature: 1.000000
Total energy: -1033.404516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.404516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.404516 (E_RNA)
where:
Base-Base interactions energy: -723.751
where: short stacking energy: -319.610
Base-Backbone interact. energy: 0.129
local terms energy: -309.782679
where:
bonds (distance) C4'-P energy: -57.090
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -65.228
flat angles P-C4'-P energy: -36.554
tors. eta vs tors. theta energy: -97.004
Dist. restrs. and SS energy: 0.000 (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: 493
Temperature: 1.050000
Total energy: -967.159922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.159922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.159922 (E_RNA)
where:
Base-Base interactions energy: -672.155
where: short stacking energy: -317.499
Base-Backbone interact. energy: -0.518
local terms energy: -294.486587
where:
bonds (distance) C4'-P energy: -50.898
bonds (distance) P-C4' energy: -59.184
flat angles C4'-P-C4' energy: -55.813
flat angles P-C4'-P energy: -43.304
tors. eta vs tors. theta energy: -85.287
Dist. restrs. and SS energy: 0.000 (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: 493
Temperature: 1.100000
Total energy: -904.692059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.692059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.692059 (E_RNA)
where:
Base-Base interactions energy: -627.178
where: short stacking energy: -260.236
Base-Backbone interact. energy: -1.259
local terms energy: -276.254987
where:
bonds (distance) C4'-P energy: -55.818
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -65.072
flat angles P-C4'-P energy: -30.264
tors. eta vs tors. theta energy: -76.493
Dist. restrs. and SS energy: 0.000 (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: 493
Temperature: 1.150000
Total energy: -845.060368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.060368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.060368 (E_RNA)
where:
Base-Base interactions energy: -573.388
where: short stacking energy: -255.586
Base-Backbone interact. energy: -0.978
local terms energy: -270.694476
where:
bonds (distance) C4'-P energy: -44.046
bonds (distance) P-C4' energy: -51.906
flat angles C4'-P-C4' energy: -66.150
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -72.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -766.199238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.199238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.199238 (E_RNA)
where:
Base-Base interactions energy: -518.609
where: short stacking energy: -243.479
Base-Backbone interact. energy: -0.383
local terms energy: -247.207421
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -56.391
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -65.957
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: 8, replica: 9
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -696.175273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.175273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.175273 (E_RNA)
where:
Base-Base interactions energy: -461.601
where: short stacking energy: -198.457
Base-Backbone interact. energy: 0.640
local terms energy: -235.213765
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -59.645
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -41.980
Dist. restrs. and SS energy: 0.000 (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: 493
Temperature: 1.300000
Total energy: -573.366395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.366395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.366395 (E_RNA)
where:
Base-Base interactions energy: -378.953
where: short stacking energy: -164.686
Base-Backbone interact. energy: -0.984
local terms energy: -193.429815
where:
bonds (distance) C4'-P energy: -55.813
bonds (distance) P-C4' energy: -44.325
flat angles C4'-P-C4' energy: -36.039
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: -27.767
Dist. restrs. and SS energy: 0.000 (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: 493
Temperature: 1.350000
Total energy: -478.769479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.769479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.769479 (E_RNA)
where:
Base-Base interactions energy: -269.368
where: short stacking energy: -126.787
Base-Backbone interact. energy: -0.666
local terms energy: -208.735619
where:
bonds (distance) C4'-P energy: -50.044
bonds (distance) P-C4' energy: -58.929
flat angles C4'-P-C4' energy: -48.765
flat angles P-C4'-P energy: -34.278
tors. eta vs tors. theta energy: -16.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1102.102425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.102425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.102425 (E_RNA)
where:
Base-Base interactions energy: -775.947
where: short stacking energy: -328.423
Base-Backbone interact. energy: -0.086
local terms energy: -326.069589
where:
bonds (distance) C4'-P energy: -57.499
bonds (distance) P-C4' energy: -57.987
flat angles C4'-P-C4' energy: -69.897
flat angles P-C4'-P energy: -50.604
tors. eta vs tors. theta energy: -90.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1080.886008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.886008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.886008 (E_RNA)
where:
Base-Base interactions energy: -744.042
where: short stacking energy: -328.303
Base-Backbone interact. energy: 0.381
local terms energy: -337.225057
where:
bonds (distance) C4'-P energy: -60.721
bonds (distance) P-C4' energy: -58.501
flat angles C4'-P-C4' energy: -73.591
flat angles P-C4'-P energy: -46.638
tors. eta vs tors. theta energy: -97.773
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: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1043.170835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.170835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.170835 (E_RNA)
where:
Base-Base interactions energy: -725.652
where: short stacking energy: -306.323
Base-Backbone interact. energy: 0.692
local terms energy: -318.210222
where:
bonds (distance) C4'-P energy: -58.265
bonds (distance) P-C4' energy: -61.089
flat angles C4'-P-C4' energy: -67.817
flat angles P-C4'-P energy: -47.135
tors. eta vs tors. theta energy: -83.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -970.567367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.567367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.567367 (E_RNA)
where:
Base-Base interactions energy: -665.607
where: short stacking energy: -305.156
Base-Backbone interact. energy: 0.229
local terms energy: -305.189090
where:
bonds (distance) C4'-P energy: -49.200
bonds (distance) P-C4' energy: -56.919
flat angles C4'-P-C4' energy: -68.783
flat angles P-C4'-P energy: -48.786
tors. eta vs tors. theta energy: -81.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -923.180484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.180484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.180484 (E_RNA)
where:
Base-Base interactions energy: -647.147
where: short stacking energy: -276.338
Base-Backbone interact. energy: -0.052
local terms energy: -275.980630
where:
bonds (distance) C4'-P energy: -53.883
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -57.282
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -78.545
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: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -844.594937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.594937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.594937 (E_RNA)
where:
Base-Base interactions energy: -570.916
where: short stacking energy: -258.478
Base-Backbone interact. energy: 0.005
local terms energy: -273.683263
where:
bonds (distance) C4'-P energy: -59.924
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -62.513
flat angles P-C4'-P energy: -38.886
tors. eta vs tors. theta energy: -64.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -788.206618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.206618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.206618 (E_RNA)
where:
Base-Base interactions energy: -535.440
where: short stacking energy: -253.060
Base-Backbone interact. energy: -0.160
local terms energy: -252.606634
where:
bonds (distance) C4'-P energy: -43.984
bonds (distance) P-C4' energy: -52.307
flat angles C4'-P-C4' energy: -54.422
flat angles P-C4'-P energy: -35.364
tors. eta vs tors. theta energy: -66.529
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: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -698.656642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.656642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.656642 (E_RNA)
where:
Base-Base interactions energy: -476.665
where: short stacking energy: -197.267
Base-Backbone interact. energy: -1.717
local terms energy: -220.275057
where:
bonds (distance) C4'-P energy: -34.687
bonds (distance) P-C4' energy: -48.003
flat angles C4'-P-C4' energy: -55.909
flat angles P-C4'-P energy: -34.682
tors. eta vs tors. theta energy: -46.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -581.705157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.705157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.705157 (E_RNA)
where:
Base-Base interactions energy: -372.270
where: short stacking energy: -178.231
Base-Backbone interact. energy: 0.701
local terms energy: -210.136421
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -49.696
flat angles C4'-P-C4' energy: -49.102
flat angles P-C4'-P energy: -35.257
tors. eta vs tors. theta energy: -36.175
Dist. restrs. and SS energy: 0.000 (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: 494
Temperature: 1.350000
Total energy: -489.246367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.246367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.246367 (E_RNA)
where:
Base-Base interactions energy: -285.450
where: short stacking energy: -136.038
Base-Backbone interact. energy: -1.485
local terms energy: -202.311194
where:
bonds (distance) C4'-P energy: -57.452
bonds (distance) P-C4' energy: -49.813
flat angles C4'-P-C4' energy: -43.222
flat angles P-C4'-P energy: -32.841
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1098.140029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.140029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.140029 (E_RNA)
where:
Base-Base interactions energy: -773.955
where: short stacking energy: -312.991
Base-Backbone interact. energy: -0.658
local terms energy: -323.526501
where:
bonds (distance) C4'-P energy: -60.311
bonds (distance) P-C4' energy: -61.894
flat angles C4'-P-C4' energy: -67.411
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -81.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1072.433931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.433931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.433931 (E_RNA)
where:
Base-Base interactions energy: -754.612
where: short stacking energy: -326.820
Base-Backbone interact. energy: -1.017
local terms energy: -316.804902
where:
bonds (distance) C4'-P energy: -48.968
bonds (distance) P-C4' energy: -62.444
flat angles C4'-P-C4' energy: -69.521
flat angles P-C4'-P energy: -47.001
tors. eta vs tors. theta energy: -88.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1027.468888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.468888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.468888 (E_RNA)
where:
Base-Base interactions energy: -713.874
where: short stacking energy: -323.846
Base-Backbone interact. energy: -1.341
local terms energy: -312.253599
where:
bonds (distance) C4'-P energy: -53.592
bonds (distance) P-C4' energy: -54.777
flat angles C4'-P-C4' energy: -66.792
flat angles P-C4'-P energy: -44.519
tors. eta vs tors. theta energy: -92.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -922.549936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.549936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.549936 (E_RNA)
where:
Base-Base interactions energy: -626.347
where: short stacking energy: -279.924
Base-Backbone interact. energy: 0.775
local terms energy: -296.978492
where:
bonds (distance) C4'-P energy: -55.514
bonds (distance) P-C4' energy: -62.603
flat angles C4'-P-C4' energy: -65.010
flat angles P-C4'-P energy: -37.771
tors. eta vs tors. theta energy: -76.081
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: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -905.594596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.594596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.594596 (E_RNA)
where:
Base-Base interactions energy: -624.379
where: short stacking energy: -269.019
Base-Backbone interact. energy: -2.702
local terms energy: -278.514531
where:
bonds (distance) C4'-P energy: -53.840
bonds (distance) P-C4' energy: -57.608
flat angles C4'-P-C4' energy: -56.135
flat angles P-C4'-P energy: -35.444
tors. eta vs tors. theta energy: -75.487
Dist. restrs. and SS energy: 0.000 (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: 495
Temperature: 1.150000
Total energy: -842.204517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.204517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.204517 (E_RNA)
where:
Base-Base interactions energy: -575.215
where: short stacking energy: -257.678
Base-Backbone interact. energy: -2.244
local terms energy: -264.745365
where:
bonds (distance) C4'-P energy: -54.364
bonds (distance) P-C4' energy: -50.766
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -63.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -804.274506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.274506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.274506 (E_RNA)
where:
Base-Base interactions energy: -553.082
where: short stacking energy: -231.271
Base-Backbone interact. energy: 1.622
local terms energy: -252.813682
where:
bonds (distance) C4'-P energy: -54.920
bonds (distance) P-C4' energy: -43.074
flat angles C4'-P-C4' energy: -51.729
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -60.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -701.780885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.780885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.780885 (E_RNA)
where:
Base-Base interactions energy: -464.727
where: short stacking energy: -205.632
Base-Backbone interact. energy: 1.389
local terms energy: -238.442426
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -56.126
flat angles P-C4'-P energy: -31.126
tors. eta vs tors. theta energy: -46.966
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: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -592.966030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.966030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.966030 (E_RNA)
where:
Base-Base interactions energy: -376.517
where: short stacking energy: -162.131
Base-Backbone interact. energy: 1.386
local terms energy: -217.834121
where:
bonds (distance) C4'-P energy: -47.858
bonds (distance) P-C4' energy: -63.877
flat angles C4'-P-C4' energy: -53.020
flat angles P-C4'-P energy: -19.051
tors. eta vs tors. theta energy: -34.029
Dist. restrs. and SS energy: 0.000 (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: 495
Temperature: 1.350000
Total energy: -471.339328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.339328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.339328 (E_RNA)
where:
Base-Base interactions energy: -287.102
where: short stacking energy: -124.766
Base-Backbone interact. energy: 5.860
local terms energy: -190.096848
where:
bonds (distance) C4'-P energy: -47.320
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -43.661
flat angles P-C4'-P energy: -21.302
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1111.871732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.871732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.871732 (E_RNA)
where:
Base-Base interactions energy: -770.497
where: short stacking energy: -309.776
Base-Backbone interact. energy: -1.443
local terms energy: -339.931632
where:
bonds (distance) C4'-P energy: -66.031
bonds (distance) P-C4' energy: -73.782
flat angles C4'-P-C4' energy: -67.562
flat angles P-C4'-P energy: -45.990
tors. eta vs tors. theta energy: -86.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1045.278901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.278901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.278901 (E_RNA)
where:
Base-Base interactions energy: -753.109
where: short stacking energy: -321.491
Base-Backbone interact. energy: -1.225
local terms energy: -290.945250
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -61.266
flat angles P-C4'-P energy: -42.128
tors. eta vs tors. theta energy: -88.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1040.883933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.883933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.883933 (E_RNA)
where:
Base-Base interactions energy: -732.340
where: short stacking energy: -325.251
Base-Backbone interact. energy: -1.115
local terms energy: -307.429371
where:
bonds (distance) C4'-P energy: -56.097
bonds (distance) P-C4' energy: -54.789
flat angles C4'-P-C4' energy: -67.778
flat angles P-C4'-P energy: -34.540
tors. eta vs tors. theta energy: -94.225
Dist. restrs. and SS energy: 0.000 (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: 496
Temperature: 1.050000
Total energy: -972.044227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.044227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.044227 (E_RNA)
where:
Base-Base interactions energy: -667.820
where: short stacking energy: -294.064
Base-Backbone interact. energy: -2.049
local terms energy: -302.175778
where:
bonds (distance) C4'-P energy: -55.657
bonds (distance) P-C4' energy: -59.337
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -45.499
tors. eta vs tors. theta energy: -81.021
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: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -869.190146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.190146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.190146 (E_RNA)
where:
Base-Base interactions energy: -586.276
where: short stacking energy: -259.536
Base-Backbone interact. energy: -0.303
local terms energy: -282.611434
where:
bonds (distance) C4'-P energy: -52.226
bonds (distance) P-C4' energy: -57.818
flat angles C4'-P-C4' energy: -58.444
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: -77.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -822.624312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.624312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.624312 (E_RNA)
where:
Base-Base interactions energy: -547.109
where: short stacking energy: -247.894
Base-Backbone interact. energy: -0.475
local terms energy: -275.039944
where:
bonds (distance) C4'-P energy: -58.355
bonds (distance) P-C4' energy: -56.872
flat angles C4'-P-C4' energy: -63.084
flat angles P-C4'-P energy: -37.341
tors. eta vs tors. theta energy: -59.388
Dist. restrs. and SS energy: 0.000 (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: 496
Temperature: 1.200000
Total energy: -794.295929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.295929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.295929 (E_RNA)
where:
Base-Base interactions energy: -530.045
where: short stacking energy: -232.249
Base-Backbone interact. energy: -1.527
local terms energy: -262.724008
where:
bonds (distance) C4'-P energy: -52.233
bonds (distance) P-C4' energy: -47.823
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -40.945
tors. eta vs tors. theta energy: -61.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -726.363180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.363180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.363180 (E_RNA)
where:
Base-Base interactions energy: -493.120
where: short stacking energy: -213.317
Base-Backbone interact. energy: -0.745
local terms energy: -232.498246
where:
bonds (distance) C4'-P energy: -42.971
bonds (distance) P-C4' energy: -51.425
flat angles C4'-P-C4' energy: -52.809
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -44.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -591.865381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.865381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.865381 (E_RNA)
where:
Base-Base interactions energy: -376.162
where: short stacking energy: -163.240
Base-Backbone interact. energy: -1.136
local terms energy: -214.568140
where:
bonds (distance) C4'-P energy: -44.086
bonds (distance) P-C4' energy: -59.024
flat angles C4'-P-C4' energy: -54.684
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -22.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -477.808805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.808805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.808805 (E_RNA)
where:
Base-Base interactions energy: -290.749
where: short stacking energy: -153.104
Base-Backbone interact. energy: -1.419
local terms energy: -185.641126
where:
bonds (distance) C4'-P energy: -53.603
bonds (distance) P-C4' energy: -43.087
flat angles C4'-P-C4' energy: -43.251
flat angles P-C4'-P energy: -28.786
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: 1, replica: 6
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1103.613213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.613213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.613213 (E_RNA)
where:
Base-Base interactions energy: -776.023
where: short stacking energy: -322.046
Base-Backbone interact. energy: -2.624
local terms energy: -324.966614
where:
bonds (distance) C4'-P energy: -67.566
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -62.459
flat angles P-C4'-P energy: -47.517
tors. eta vs tors. theta energy: -87.293
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: 2, replica: 10
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1058.294804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.294804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.294804 (E_RNA)
where:
Base-Base interactions energy: -735.681
where: short stacking energy: -318.060
Base-Backbone interact. energy: -0.379
local terms energy: -322.234753
where:
bonds (distance) C4'-P energy: -49.674
bonds (distance) P-C4' energy: -64.295
flat angles C4'-P-C4' energy: -65.753
flat angles P-C4'-P energy: -53.699
tors. eta vs tors. theta energy: -88.813
Dist. restrs. and SS energy: 0.000 (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: 497
Temperature: 1.000000
Total energy: -1026.407206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.407206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.407206 (E_RNA)
where:
Base-Base interactions energy: -711.563
where: short stacking energy: -307.043
Base-Backbone interact. energy: -1.079
local terms energy: -313.765305
where:
bonds (distance) C4'-P energy: -53.263
bonds (distance) P-C4' energy: -57.285
flat angles C4'-P-C4' energy: -65.189
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -89.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -965.126934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.126934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.126934 (E_RNA)
where:
Base-Base interactions energy: -669.574
where: short stacking energy: -307.118
Base-Backbone interact. energy: -0.835
local terms energy: -294.717391
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -66.154
flat angles P-C4'-P energy: -42.192
tors. eta vs tors. theta energy: -90.768
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: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -865.022830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.022830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.022830 (E_RNA)
where:
Base-Base interactions energy: -584.111
where: short stacking energy: -253.396
Base-Backbone interact. energy: 0.609
local terms energy: -281.519964
where:
bonds (distance) C4'-P energy: -56.688
bonds (distance) P-C4' energy: -64.100
flat angles C4'-P-C4' energy: -49.652
flat angles P-C4'-P energy: -44.098
tors. eta vs tors. theta energy: -66.982
Dist. restrs. and SS energy: 0.000 (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: 497
Temperature: 1.150000
Total energy: -842.683397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.683397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.683397 (E_RNA)
where:
Base-Base interactions energy: -565.464
where: short stacking energy: -249.131
Base-Backbone interact. energy: 2.274
local terms energy: -279.492630
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -58.307
flat angles P-C4'-P energy: -38.044
tors. eta vs tors. theta energy: -69.881
Dist. restrs. and SS energy: 0.000 (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: 497
Temperature: 1.200000
Total energy: -756.585831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.585831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.585831 (E_RNA)
where:
Base-Base interactions energy: -519.125
where: short stacking energy: -238.149
Base-Backbone interact. energy: 1.597
local terms energy: -239.057749
where:
bonds (distance) C4'-P energy: -46.348
bonds (distance) P-C4' energy: -44.558
flat angles C4'-P-C4' energy: -55.691
flat angles P-C4'-P energy: -33.036
tors. eta vs tors. theta energy: -59.423
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: 8, replica: 9
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -668.789627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.789627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.789627 (E_RNA)
where:
Base-Base interactions energy: -442.211
where: short stacking energy: -192.566
Base-Backbone interact. energy: -0.897
local terms energy: -225.681037
where:
bonds (distance) C4'-P energy: -52.940
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -58.536
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -40.596
Dist. restrs. and SS energy: 0.000 (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: 497
Temperature: 1.300000
Total energy: -592.454408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.454408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.454408 (E_RNA)
where:
Base-Base interactions energy: -395.906
where: short stacking energy: -170.372
Base-Backbone interact. energy: -3.275
local terms energy: -193.273646
where:
bonds (distance) C4'-P energy: -55.641
bonds (distance) P-C4' energy: -42.773
flat angles C4'-P-C4' energy: -48.881
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -428.632014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.632014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.632014 (E_RNA)
where:
Base-Base interactions energy: -242.341
where: short stacking energy: -96.124
Base-Backbone interact. energy: -1.572
local terms energy: -184.719369
where:
bonds (distance) C4'-P energy: -48.847
bonds (distance) P-C4' energy: -51.628
flat angles C4'-P-C4' energy: -50.024
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -14.096
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: 1, replica: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1108.066381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.066381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.066381 (E_RNA)
where:
Base-Base interactions energy: -789.886
where: short stacking energy: -320.466
Base-Backbone interact. energy: -1.223
local terms energy: -316.957431
where:
bonds (distance) C4'-P energy: -59.618
bonds (distance) P-C4' energy: -61.718
flat angles C4'-P-C4' energy: -68.875
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -83.606
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: 2, replica: 10
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1056.759763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.759763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.759763 (E_RNA)
where:
Base-Base interactions energy: -731.713
where: short stacking energy: -309.672
Base-Backbone interact. energy: -0.372
local terms energy: -324.674822
where:
bonds (distance) C4'-P energy: -61.036
bonds (distance) P-C4' energy: -57.427
flat angles C4'-P-C4' energy: -65.069
flat angles P-C4'-P energy: -50.893
tors. eta vs tors. theta energy: -90.250
Dist. restrs. and SS energy: 0.000 (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: 498
Temperature: 1.000000
Total energy: -1018.107173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.107173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.107173 (E_RNA)
where:
Base-Base interactions energy: -724.871
where: short stacking energy: -317.292
Base-Backbone interact. energy: 0.144
local terms energy: -293.379493
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -52.791
flat angles C4'-P-C4' energy: -70.836
flat angles P-C4'-P energy: -41.535
tors. eta vs tors. theta energy: -91.627
Dist. restrs. and SS energy: 0.000 (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: 498
Temperature: 1.050000
Total energy: -951.825148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.825148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.825148 (E_RNA)
where:
Base-Base interactions energy: -660.758
where: short stacking energy: -280.541
Base-Backbone interact. energy: -0.282
local terms energy: -290.784953
where:
bonds (distance) C4'-P energy: -51.610
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -61.559
flat angles P-C4'-P energy: -48.317
tors. eta vs tors. theta energy: -78.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -884.447379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.447379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.447379 (E_RNA)
where:
Base-Base interactions energy: -600.029
where: short stacking energy: -253.463
Base-Backbone interact. energy: -0.449
local terms energy: -283.968674
where:
bonds (distance) C4'-P energy: -59.845
bonds (distance) P-C4' energy: -57.975
flat angles C4'-P-C4' energy: -56.687
flat angles P-C4'-P energy: -39.758
tors. eta vs tors. theta energy: -69.704
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: 6, replica: 3
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -841.089674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.089674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.089674 (E_RNA)
where:
Base-Base interactions energy: -569.908
where: short stacking energy: -240.866
Base-Backbone interact. energy: -2.299
local terms energy: -268.882706
where:
bonds (distance) C4'-P energy: -52.783
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -36.206
tors. eta vs tors. theta energy: -60.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -756.762901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.762901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.762901 (E_RNA)
where:
Base-Base interactions energy: -508.246
where: short stacking energy: -212.423
Base-Backbone interact. energy: 1.051
local terms energy: -249.568567
where:
bonds (distance) C4'-P energy: -52.254
bonds (distance) P-C4' energy: -57.229
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -46.520
tors. eta vs tors. theta energy: -47.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -717.090636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.090636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.090636 (E_RNA)
where:
Base-Base interactions energy: -462.349
where: short stacking energy: -197.390
Base-Backbone interact. energy: -0.961
local terms energy: -253.780495
where:
bonds (distance) C4'-P energy: -60.448
bonds (distance) P-C4' energy: -56.448
flat angles C4'-P-C4' energy: -65.499
flat angles P-C4'-P energy: -29.549
tors. eta vs tors. theta energy: -41.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -521.737175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.737175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.737175 (E_RNA)
where:
Base-Base interactions energy: -316.815
where: short stacking energy: -145.760
Base-Backbone interact. energy: -0.756
local terms energy: -204.166063
where:
bonds (distance) C4'-P energy: -50.607
bonds (distance) P-C4' energy: -45.431
flat angles C4'-P-C4' energy: -54.441
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -496.260100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.260100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.260100 (E_RNA)
where:
Base-Base interactions energy: -277.518
where: short stacking energy: -126.563
Base-Backbone interact. energy: -1.238
local terms energy: -217.504319
where:
bonds (distance) C4'-P energy: -55.357
bonds (distance) P-C4' energy: -56.450
flat angles C4'-P-C4' energy: -51.107
flat angles P-C4'-P energy: -31.325
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (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: 499
Temperature: 0.900000
Total energy: -1104.770984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.770984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.770984 (E_RNA)
where:
Base-Base interactions energy: -769.312
where: short stacking energy: -326.820
Base-Backbone interact. energy: -2.188
local terms energy: -333.270430
where:
bonds (distance) C4'-P energy: -57.547
bonds (distance) P-C4' energy: -64.201
flat angles C4'-P-C4' energy: -69.634
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -92.942
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: 499
Temperature: 0.950000
Total energy: -1051.560940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.560940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.560940 (E_RNA)
where:
Base-Base interactions energy: -730.094
where: short stacking energy: -322.042
Base-Backbone interact. energy: -0.828
local terms energy: -320.639458
where:
bonds (distance) C4'-P energy: -64.288
bonds (distance) P-C4' energy: -49.602
flat angles C4'-P-C4' energy: -69.845
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -91.891
Dist. restrs. and SS energy: 0.000 (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: 499
Temperature: 1.000000
Total energy: -1019.045351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.045351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.045351 (E_RNA)
where:
Base-Base interactions energy: -698.701
where: short stacking energy: -303.832
Base-Backbone interact. energy: -0.456
local terms energy: -319.888165
where:
bonds (distance) C4'-P energy: -59.328
bonds (distance) P-C4' energy: -52.224
flat angles C4'-P-C4' energy: -69.958
flat angles P-C4'-P energy: -46.258
tors. eta vs tors. theta energy: -92.120
Dist. restrs. and SS energy: 0.000 (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: 499
Temperature: 1.050000
Total energy: -959.430246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.430246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.430246 (E_RNA)
where:
Base-Base interactions energy: -651.989
where: short stacking energy: -295.808
Base-Backbone interact. energy: -1.829
local terms energy: -305.611749
where:
bonds (distance) C4'-P energy: -57.049
bonds (distance) P-C4' energy: -54.900
flat angles C4'-P-C4' energy: -65.319
flat angles P-C4'-P energy: -41.562
tors. eta vs tors. theta energy: -86.781
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: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -864.742848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.742848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.742848 (E_RNA)
where:
Base-Base interactions energy: -593.995
where: short stacking energy: -263.949
Base-Backbone interact. energy: 1.666
local terms energy: -272.413332
where:
bonds (distance) C4'-P energy: -58.684
bonds (distance) P-C4' energy: -56.037
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -34.166
tors. eta vs tors. theta energy: -73.286
Dist. restrs. and SS energy: 0.000 (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: 499
Temperature: 1.150000
Total energy: -840.030239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.030239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.030239 (E_RNA)
where:
Base-Base interactions energy: -566.821
where: short stacking energy: -249.849
Base-Backbone interact. energy: -0.936
local terms energy: -272.273572
where:
bonds (distance) C4'-P energy: -49.707
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -39.828
tors. eta vs tors. theta energy: -68.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -785.581274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.581274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.581274 (E_RNA)
where:
Base-Base interactions energy: -523.380
where: short stacking energy: -220.342
Base-Backbone interact. energy: -0.319
local terms energy: -261.881987
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -58.560
flat angles C4'-P-C4' energy: -53.297
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -55.594
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: 8, replica: 9
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -689.335711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.335711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.335711 (E_RNA)
where:
Base-Base interactions energy: -457.532
where: short stacking energy: -203.075
Base-Backbone interact. energy: -0.717
local terms energy: -231.086514
where:
bonds (distance) C4'-P energy: -56.369
bonds (distance) P-C4' energy: -55.794
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -25.144
tors. eta vs tors. theta energy: -41.986
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: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -535.865810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.865810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.865810 (E_RNA)
where:
Base-Base interactions energy: -326.316
where: short stacking energy: -154.243
Base-Backbone interact. energy: 9.527
local terms energy: -219.076560
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -56.732
flat angles C4'-P-C4' energy: -52.973
flat angles P-C4'-P energy: -37.361
tors. eta vs tors. theta energy: -25.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -484.997556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.997556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.997556 (E_RNA)
where:
Base-Base interactions energy: -293.366
where: short stacking energy: -135.767
Base-Backbone interact. energy: -2.448
local terms energy: -189.183718
where:
bonds (distance) C4'-P energy: -46.160
bonds (distance) P-C4' energy: -42.929
flat angles C4'-P-C4' energy: -52.640
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -22.796
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: 1, replica: 6
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1121.836521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.836521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.836521 (E_RNA)
where:
Base-Base interactions energy: -800.528
where: short stacking energy: -335.080
Base-Backbone interact. energy: 0.680
local terms energy: -321.988105
where:
bonds (distance) C4'-P energy: -58.504
bonds (distance) P-C4' energy: -55.748
flat angles C4'-P-C4' energy: -67.775
flat angles P-C4'-P energy: -45.461
tors. eta vs tors. theta energy: -94.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1058.892583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.892583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.892583 (E_RNA)
where:
Base-Base interactions energy: -730.625
where: short stacking energy: -316.847
Base-Backbone interact. energy: -0.134
local terms energy: -328.133611
where:
bonds (distance) C4'-P energy: -59.805
bonds (distance) P-C4' energy: -59.267
flat angles C4'-P-C4' energy: -70.219
flat angles P-C4'-P energy: -46.679
tors. eta vs tors. theta energy: -92.164
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: 3, replica: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1012.840292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.840292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.840292 (E_RNA)
where:
Base-Base interactions energy: -710.171
where: short stacking energy: -307.063
Base-Backbone interact. energy: -0.662
local terms energy: -302.007402
where:
bonds (distance) C4'-P energy: -51.177
bonds (distance) P-C4' energy: -57.634
flat angles C4'-P-C4' energy: -64.112
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -92.452
Dist. restrs. and SS energy: 0.000 (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: 500
Temperature: 1.050000
Total energy: -962.438271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.438271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.438271 (E_RNA)
where:
Base-Base interactions energy: -671.282
where: short stacking energy: -309.322
Base-Backbone interact. energy: -1.002
local terms energy: -290.154269
where:
bonds (distance) C4'-P energy: -51.039
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -39.860
tors. eta vs tors. theta energy: -85.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -870.537183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.537183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.537183 (E_RNA)
where:
Base-Base interactions energy: -585.505
where: short stacking energy: -260.515
Base-Backbone interact. energy: -0.412
local terms energy: -284.620610
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -57.361
flat angles C4'-P-C4' energy: -62.811
flat angles P-C4'-P energy: -49.014
tors. eta vs tors. theta energy: -74.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -824.652981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.652981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.652981 (E_RNA)
where:
Base-Base interactions energy: -579.582
where: short stacking energy: -239.529
Base-Backbone interact. energy: -0.555
local terms energy: -244.515834
where:
bonds (distance) C4'-P energy: -54.906
bonds (distance) P-C4' energy: -46.576
flat angles C4'-P-C4' energy: -53.212
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -62.006
Dist. restrs. and SS energy: 0.000 (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: 500
Temperature: 1.200000
Total energy: -743.611265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.611265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.611265 (E_RNA)
where:
Base-Base interactions energy: -511.863
where: short stacking energy: -228.966
Base-Backbone interact. energy: 2.950
local terms energy: -234.698659
where:
bonds (distance) C4'-P energy: -56.044
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -43.679
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -49.527
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: 8, replica: 9
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -699.424708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.424708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.424708 (E_RNA)
where:
Base-Base interactions energy: -469.488
where: short stacking energy: -200.607
Base-Backbone interact. energy: -0.738
local terms energy: -229.198843
where:
bonds (distance) C4'-P energy: -57.194
bonds (distance) P-C4' energy: -42.707
flat angles C4'-P-C4' energy: -48.972
flat angles P-C4'-P energy: -40.810
tors. eta vs tors. theta energy: -39.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -530.862584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.862584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.862584 (E_RNA)
where:
Base-Base interactions energy: -318.034
where: short stacking energy: -184.359
Base-Backbone interact. energy: 0.356
local terms energy: -213.184845
where:
bonds (distance) C4'-P energy: -59.280
bonds (distance) P-C4' energy: -37.964
flat angles C4'-P-C4' energy: -55.612
flat angles P-C4'-P energy: -32.605
tors. eta vs tors. theta energy: -27.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -442.268620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.268620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.268620 (E_RNA)
where:
Base-Base interactions energy: -261.842
where: short stacking energy: -127.069
Base-Backbone interact. energy: -2.650
local terms energy: -177.776245
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -50.756
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -24.826
tors. eta vs tors. theta energy: -1.502
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: 1, replica: 6
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1121.816142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.816142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.816142 (E_RNA)
where:
Base-Base interactions energy: -791.181
where: short stacking energy: -321.336
Base-Backbone interact. energy: -1.583
local terms energy: -329.052376
where:
bonds (distance) C4'-P energy: -62.259
bonds (distance) P-C4' energy: -66.300
flat angles C4'-P-C4' energy: -66.904
flat angles P-C4'-P energy: -45.305
tors. eta vs tors. theta energy: -88.285
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: 2, replica: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1065.218751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.218751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.218751 (E_RNA)
where:
Base-Base interactions energy: -736.944
where: short stacking energy: -325.959
Base-Backbone interact. energy: -1.322
local terms energy: -326.952487
where:
bonds (distance) C4'-P energy: -55.515
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -71.544
flat angles P-C4'-P energy: -49.090
tors. eta vs tors. theta energy: -95.391
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: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1025.489364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.489364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.489364 (E_RNA)
where:
Base-Base interactions energy: -704.236
where: short stacking energy: -319.809
Base-Backbone interact. energy: -0.854
local terms energy: -320.399316
where:
bonds (distance) C4'-P energy: -58.299
bonds (distance) P-C4' energy: -54.267
flat angles C4'-P-C4' energy: -60.436
flat angles P-C4'-P energy: -47.803
tors. eta vs tors. theta energy: -99.594
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: 4, replica: 8
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -952.327638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.327638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.327638 (E_RNA)
where:
Base-Base interactions energy: -654.047
where: short stacking energy: -286.047
Base-Backbone interact. energy: -1.604
local terms energy: -296.676638
where:
bonds (distance) C4'-P energy: -53.306
bonds (distance) P-C4' energy: -62.997
flat angles C4'-P-C4' energy: -64.072
flat angles P-C4'-P energy: -38.870
tors. eta vs tors. theta energy: -77.431
Dist. restrs. and SS energy: 0.000 (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: 501
Temperature: 1.100000
Total energy: -850.925727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.925727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.925727 (E_RNA)
where:
Base-Base interactions energy: -566.165
where: short stacking energy: -253.735
Base-Backbone interact. energy: 0.516
local terms energy: -285.276831
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -60.640
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -44.383
tors. eta vs tors. theta energy: -69.067
Dist. restrs. and SS energy: 0.000 (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: 501
Temperature: 1.150000
Total energy: -826.084845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.084845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.084845 (E_RNA)
where:
Base-Base interactions energy: -560.015
where: short stacking energy: -241.006
Base-Backbone interact. energy: -0.787
local terms energy: -265.282089
where:
bonds (distance) C4'-P energy: -45.604
bonds (distance) P-C4' energy: -57.661
flat angles C4'-P-C4' energy: -66.603
flat angles P-C4'-P energy: -30.790
tors. eta vs tors. theta energy: -64.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -780.762624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.762624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.762624 (E_RNA)
where:
Base-Base interactions energy: -529.136
where: short stacking energy: -241.917
Base-Backbone interact. energy: -1.842
local terms energy: -249.784111
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -66.479
flat angles P-C4'-P energy: -33.312
tors. eta vs tors. theta energy: -63.165
Dist. restrs. and SS energy: 0.000 (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: 501
Temperature: 1.250000
Total energy: -693.117745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.117745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.117745 (E_RNA)
where:
Base-Base interactions energy: -472.885
where: short stacking energy: -206.376
Base-Backbone interact. energy: -1.070
local terms energy: -219.162315
where:
bonds (distance) C4'-P energy: -38.727
bonds (distance) P-C4' energy: -45.123
flat angles C4'-P-C4' energy: -56.553
flat angles P-C4'-P energy: -25.438
tors. eta vs tors. theta energy: -53.320
Dist. restrs. and SS energy: 0.000 (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: 501
Temperature: 1.300000
Total energy: -522.185515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.185515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.185515 (E_RNA)
where:
Base-Base interactions energy: -321.687
where: short stacking energy: -150.800
Base-Backbone interact. energy: -0.060
local terms energy: -200.438129
where:
bonds (distance) C4'-P energy: -42.699
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -52.124
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -419.865980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.865980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.865980 (E_RNA)
where:
Base-Base interactions energy: -229.242
where: short stacking energy: -106.022
Base-Backbone interact. energy: 2.211
local terms energy: -192.834808
where:
bonds (distance) C4'-P energy: -52.673
bonds (distance) P-C4' energy: -49.446
flat angles C4'-P-C4' energy: -51.922
flat angles P-C4'-P energy: -31.421
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 6 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 66225440
moves confirmed later: 76579531
all moves confirmed: 142804971
percent of confirmed moves: 17.850621
current total energy: -1053.084665
recalc. total energy: -1053.084665
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 45566952
moves confirmed later: 49548679
all moves confirmed: 95115631
percent of confirmed moves: 11.889454
current total energy: -989.213140
recalc. total energy: -989.213140
replica 10 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 50798871
moves confirmed later: 56360202
all moves confirmed: 107159073
percent of confirmed moves: 13.394884
current total energy: -1000.593663
recalc. total energy: -1000.593663
replica 8 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 46107925
moves confirmed later: 50355778
all moves confirmed: 96463703
percent of confirmed moves: 12.057963
current total energy: -868.483991
recalc. total energy: -868.483991
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 63881590
moves confirmed later: 73442612
all moves confirmed: 137324202
percent of confirmed moves: 17.165525
current total energy: -826.246371
recalc. total energy: -826.246371
replica 4 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 77386022
moves confirmed later: 91298117
all moves confirmed: 168684139
percent of confirmed moves: 21.085517
current total energy: -728.405911
recalc. total energy: -728.405911
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 75513913
moves confirmed later: 88800067
all moves confirmed: 164313980
percent of confirmed moves: 20.539247
current total energy: -676.084742
recalc. total energy: -676.084742
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 54805912
moves confirmed later: 61661461
all moves confirmed: 116467373
percent of confirmed moves: 14.558422
current total energy: -699.989270
recalc. total energy: -699.989270
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 55442621
moves confirmed later: 62275799
all moves confirmed: 117718420
percent of confirmed moves: 14.714802
current total energy: -436.632887
recalc. total energy: -436.632887
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 93017878
moves confirmed later: 111773488
all moves confirmed: 204791366
percent of confirmed moves: 25.598921
current total energy: -273.521107
recalc. total energy: -273.521107
out arg RESULTS//1/Aptamer-ac4d3cda_01
Time of doing 8000000 iterations: 16233.945 seconds